USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 -50:sc= 0.253 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.32 K(o=1.6,f=-5.4!) USER MOD Set 2.1: A 7 THR OG1 : rot 149:sc= 1.26 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.12 USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-6.28e-06) USER MOD Single : A 1 MET N :NH3+ 160:sc= 2.31 (180deg=2.18) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.027) USER MOD Single : A 6 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.124) USER MOD Single : A 11 LYS NZ :NH3+ -118:sc= 0.685 (180deg=-1.27!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0522 USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 1.59 (180deg=1.58) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 0.378 (180deg=0.346) USER MOD Single : A 31 GLN : amide:sc= -0.0112 K(o=-0.011,f=-1.6!) USER MOD Single : A 33 LYS NZ :NH3+ 139:sc= 0.67 (180deg=-0.0812) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 41 GLN : amide:sc= -0.28 K(o=-0.28,f=-4.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.587 K(o=-0.59,f=-1.5) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 1.06 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+ 175:sc= 0 (180deg=-0.0622) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0044 USER MOD Single : A 68 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.226 -7.454 -5.151 1.00 9.67 N ATOM 2 CA MET A 1 11.243 -7.883 -3.715 1.00 10.38 C ATOM 3 C MET A 1 9.890 -7.956 -3.165 1.00 9.62 C ATOM 4 O MET A 1 8.938 -7.413 -3.712 1.00 9.62 O ATOM 5 CB MET A 1 12.080 -6.881 -2.903 1.00 13.77 C ATOM 6 CG MET A 1 11.551 -5.466 -2.729 1.00 16.29 C ATOM 7 SD MET A 1 12.864 -4.333 -2.165 1.00 17.17 S ATOM 8 CE MET A 1 11.691 -2.946 -1.885 1.00 16.11 C ATOM 0 H1 MET A 1 12.163 -7.088 -5.415 1.00 9.67 H new ATOM 0 H2 MET A 1 10.990 -8.268 -5.754 1.00 9.67 H new ATOM 0 H3 MET A 1 10.513 -6.708 -5.282 1.00 9.67 H new ATOM 0 HA MET A 1 11.683 -8.879 -3.655 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.230 -7.303 -1.909 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.062 -6.812 -3.372 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.141 -5.110 -3.674 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.734 -5.467 -2.008 1.00 16.29 H new ATOM 0 HE1 MET A 1 12.234 -2.082 -1.503 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.206 -2.684 -2.825 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.936 -3.249 -1.160 1.00 16.11 H new ATOM 20 N GLN A 2 9.761 -8.691 -2.075 1.00 9.27 N ATOM 21 CA GLN A 2 8.507 -9.045 -1.516 1.00 9.07 C ATOM 22 C GLN A 2 8.098 -8.065 -0.511 1.00 8.72 C ATOM 23 O GLN A 2 8.870 -7.739 0.374 1.00 8.22 O ATOM 24 CB GLN A 2 8.401 -10.494 -1.002 1.00 14.46 C ATOM 25 CG GLN A 2 7.121 -10.914 -0.238 1.00 17.01 C ATOM 26 CD GLN A 2 7.215 -12.414 0.024 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.564 -12.956 1.079 1.00 21.89 O ATOM 28 NE2 GLN A 2 6.846 -13.165 -1.031 1.00 19.49 N ATOM 0 H GLN A 2 10.558 -9.058 -1.555 1.00 9.27 H new ATOM 0 HA GLN A 2 7.799 -9.018 -2.344 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.509 -11.159 -1.859 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.253 -10.677 -0.347 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.037 -10.365 0.700 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.231 -10.682 -0.824 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.558 -12.716 -1.901 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.854 -14.183 -0.960 1.00 19.49 H new ATOM 37 N ILE A 3 6.832 -7.567 -0.530 1.00 5.87 N ATOM 38 CA ILE A 3 6.300 -6.839 0.657 1.00 5.07 C ATOM 39 C ILE A 3 4.934 -7.365 1.104 1.00 4.01 C ATOM 40 O ILE A 3 4.128 -7.790 0.314 1.00 4.61 O ATOM 41 CB ILE A 3 6.337 -5.314 0.532 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.453 -4.849 -0.713 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.741 -4.754 0.383 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.922 -3.500 -0.398 1.00 10.83 C ATOM 0 H ILE A 3 6.186 -7.649 -1.315 1.00 5.87 H new ATOM 0 HA ILE A 3 7.001 -7.064 1.460 1.00 5.07 H new ATOM 0 HB ILE A 3 5.932 -4.920 1.464 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.054 -4.823 -1.622 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.638 -5.551 -0.889 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.693 -3.668 0.300 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.335 -5.025 1.256 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.204 -5.167 -0.513 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.310 -3.147 -1.228 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.314 -3.550 0.505 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.751 -2.811 -0.239 1.00 10.83 H new ATOM 56 N PHE A 4 4.637 -7.280 2.432 1.00 4.55 N ATOM 57 CA PHE A 4 3.314 -7.732 2.930 1.00 4.68 C ATOM 58 C PHE A 4 2.373 -6.514 3.049 1.00 5.30 C ATOM 59 O PHE A 4 2.788 -5.391 3.239 1.00 5.58 O ATOM 60 CB PHE A 4 3.443 -8.489 4.299 1.00 4.83 C ATOM 61 CG PHE A 4 4.457 -9.540 4.197 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.262 -10.674 3.329 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.615 -9.433 4.987 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.326 -11.575 3.100 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.624 -10.444 4.849 1.00 10.61 C ATOM 66 CZ PHE A 4 6.422 -11.501 3.949 1.00 8.90 C ATOM 0 H PHE A 4 5.268 -6.918 3.147 1.00 4.55 H new ATOM 0 HA PHE A 4 2.892 -8.441 2.218 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.713 -7.787 5.088 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.483 -8.924 4.575 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.305 -10.835 2.855 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.742 -8.613 5.678 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.288 -12.294 2.295 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.531 -10.392 5.433 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.154 -12.295 3.915 1.00 8.90 H new ATOM 76 N VAL A 5 1.086 -6.753 2.975 1.00 4.44 N ATOM 77 CA VAL A 5 0.087 -5.737 3.057 1.00 3.87 C ATOM 78 C VAL A 5 -0.922 -6.386 3.980 1.00 4.93 C ATOM 79 O VAL A 5 -1.354 -7.525 3.821 1.00 6.84 O ATOM 80 CB VAL A 5 -0.476 -5.323 1.670 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.746 -4.537 1.901 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.678 -4.515 0.920 1.00 9.13 C ATOM 0 H VAL A 5 0.703 -7.690 2.852 1.00 4.44 H new ATOM 0 HA VAL A 5 0.448 -4.779 3.431 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.748 -6.164 1.032 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.165 -4.232 0.942 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.468 -5.159 2.431 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.523 -3.652 2.497 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.324 -4.204 -0.063 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.945 -3.635 1.505 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.554 -5.154 0.805 1.00 9.13 H new ATOM 92 N LYS A 6 -1.329 -5.677 5.013 1.00 6.04 N ATOM 93 CA LYS A 6 -2.170 -6.250 6.058 1.00 6.12 C ATOM 94 C LYS A 6 -3.389 -5.357 6.295 1.00 6.57 C ATOM 95 O LYS A 6 -3.206 -4.153 6.617 1.00 5.76 O ATOM 96 CB LYS A 6 -1.355 -6.233 7.372 1.00 7.45 C ATOM 97 CG LYS A 6 -1.887 -7.105 8.540 1.00 11.12 C ATOM 98 CD LYS A 6 -1.108 -6.770 9.855 1.00 14.54 C ATOM 99 CE LYS A 6 -1.748 -7.475 11.053 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.518 -8.900 10.923 1.00 20.55 N ATOM 0 H LYS A 6 -1.092 -4.695 5.157 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.481 -7.253 5.765 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.338 -6.554 7.145 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.293 -5.202 7.719 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.953 -6.925 8.683 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.771 -8.162 8.298 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.068 -7.080 9.757 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.106 -5.692 10.019 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.319 -7.105 11.984 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.817 -7.265 11.089 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.794 -9.378 11.804 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.085 -9.273 10.135 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.510 -9.073 10.736 1.00 20.55 H new ATOM 114 N THR A 7 -4.606 -5.933 6.228 1.00 7.41 N ATOM 115 CA THR A 7 -5.911 -5.277 6.432 1.00 7.48 C ATOM 116 C THR A 7 -6.136 -5.106 7.899 1.00 8.75 C ATOM 117 O THR A 7 -5.463 -5.660 8.726 1.00 8.58 O ATOM 118 CB THR A 7 -7.095 -6.095 5.881 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.380 -7.301 6.545 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.760 -6.396 4.429 1.00 9.17 C ATOM 0 H THR A 7 -4.709 -6.926 6.018 1.00 7.41 H new ATOM 0 HA THR A 7 -5.873 -4.328 5.897 1.00 7.48 H new ATOM 0 HB THR A 7 -7.994 -5.495 6.024 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.343 -7.480 6.500 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.567 -6.977 3.982 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.640 -5.461 3.882 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.832 -6.966 4.380 1.00 9.17 H new ATOM 128 N LEU A 8 -7.110 -4.230 8.324 1.00 9.84 N ATOM 129 CA LEU A 8 -7.578 -4.187 9.746 1.00 14.15 C ATOM 130 C LEU A 8 -8.634 -5.220 10.040 1.00 17.37 C ATOM 131 O LEU A 8 -9.244 -5.193 11.093 1.00 17.01 O ATOM 132 CB LEU A 8 -8.128 -2.784 10.036 1.00 16.63 C ATOM 133 CG LEU A 8 -7.024 -1.691 10.015 1.00 18.88 C ATOM 134 CD1 LEU A 8 -7.583 -0.241 10.189 1.00 19.31 C ATOM 135 CD2 LEU A 8 -5.890 -1.982 11.041 1.00 18.59 C ATOM 0 H LEU A 8 -7.574 -3.560 7.711 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.728 -4.414 10.389 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.891 -2.538 9.298 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.615 -2.784 11.011 1.00 16.63 H new ATOM 0 HG LEU A 8 -6.591 -1.738 9.016 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -6.759 0.472 10.165 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.278 -0.019 9.379 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.102 -0.163 11.144 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.141 -1.191 10.990 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.310 -2.020 12.046 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.424 -2.939 10.806 1.00 18.59 H new ATOM 147 N THR A 9 -8.892 -6.153 9.114 1.00 18.33 N ATOM 148 CA THR A 9 -10.105 -6.921 9.062 1.00 19.24 C ATOM 149 C THR A 9 -9.780 -8.420 9.147 1.00 19.48 C ATOM 150 O THR A 9 -10.655 -9.262 9.042 1.00 23.14 O ATOM 151 CB THR A 9 -10.870 -6.745 7.738 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.026 -7.180 6.638 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.165 -5.260 7.501 1.00 19.70 C ATOM 0 H THR A 9 -8.235 -6.387 8.370 1.00 18.33 H new ATOM 0 HA THR A 9 -10.711 -6.566 9.896 1.00 19.24 H new ATOM 0 HB THR A 9 -11.792 -7.324 7.792 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.509 -7.071 5.792 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.707 -5.142 6.562 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.771 -4.874 8.321 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.227 -4.706 7.451 1.00 19.70 H new ATOM 161 N GLY A 10 -8.494 -8.814 9.393 1.00 19.43 N ATOM 162 CA GLY A 10 -8.066 -10.225 9.459 1.00 18.74 C ATOM 163 C GLY A 10 -7.506 -10.750 8.202 1.00 17.62 C ATOM 164 O GLY A 10 -7.865 -11.866 7.778 1.00 19.74 O ATOM 0 H GLY A 10 -7.733 -8.153 9.550 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.320 -10.329 10.247 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.920 -10.838 9.746 1.00 18.74 H new ATOM 168 N LYS A 11 -6.603 -10.011 7.469 1.00 13.56 N ATOM 169 CA LYS A 11 -6.083 -10.570 6.220 1.00 11.91 C ATOM 170 C LYS A 11 -4.652 -10.101 5.975 1.00 10.18 C ATOM 171 O LYS A 11 -4.300 -9.007 6.310 1.00 9.10 O ATOM 172 CB LYS A 11 -7.012 -10.232 5.019 1.00 13.43 C ATOM 173 CG LYS A 11 -6.625 -11.159 3.875 1.00 16.69 C ATOM 174 CD LYS A 11 -7.378 -11.070 2.550 1.00 17.92 C ATOM 175 CE LYS A 11 -7.225 -12.326 1.686 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.278 -12.355 0.639 1.00 21.93 N ATOM 0 H LYS A 11 -6.253 -9.087 7.721 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.066 -11.656 6.315 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.058 -10.372 5.291 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.896 -9.189 4.725 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.569 -10.993 3.663 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.720 -12.183 4.237 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.436 -10.901 2.751 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.018 -10.206 1.992 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.239 -12.340 1.222 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.296 -13.217 2.310 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.879 -13.193 0.774 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.861 -11.497 0.709 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.833 -12.395 -0.300 1.00 21.93 H new ATOM 190 N THR A 12 -3.790 -10.950 5.383 1.00 9.63 N ATOM 191 CA THR A 12 -2.496 -10.524 4.898 1.00 9.85 C ATOM 192 C THR A 12 -2.287 -11.000 3.484 1.00 11.66 C ATOM 193 O THR A 12 -2.390 -12.177 3.227 1.00 12.33 O ATOM 194 CB THR A 12 -1.346 -10.992 5.835 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.501 -10.522 7.179 1.00 10.91 O ATOM 196 CG2 THR A 12 0.055 -10.560 5.283 1.00 9.63 C ATOM 0 H THR A 12 -3.984 -11.940 5.236 1.00 9.63 H new ATOM 0 HA THR A 12 -2.476 -9.434 4.899 1.00 9.85 H new ATOM 0 HB THR A 12 -1.402 -12.080 5.855 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.755 -10.844 7.726 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.835 -10.903 5.962 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.210 -11.002 4.299 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.095 -9.474 5.203 1.00 9.63 H new ATOM 204 N ILE A 13 -1.972 -10.061 2.602 1.00 10.42 N ATOM 205 CA ILE A 13 -1.743 -10.320 1.199 1.00 11.84 C ATOM 206 C ILE A 13 -0.393 -9.830 0.829 1.00 10.55 C ATOM 207 O ILE A 13 0.221 -8.981 1.456 1.00 11.92 O ATOM 208 CB ILE A 13 -2.763 -9.691 0.276 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.870 -8.138 0.581 1.00 14.87 C ATOM 210 CG2 ILE A 13 -4.061 -10.466 0.496 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.533 -7.417 -0.563 1.00 16.46 C ATOM 0 H ILE A 13 -1.868 -9.078 2.854 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.833 -11.398 1.069 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.493 -9.753 -0.778 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.440 -7.980 1.497 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.875 -7.726 0.750 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.842 -10.058 -0.146 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.903 -11.517 0.252 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.365 -10.377 1.539 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.597 -6.353 -0.334 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.947 -7.558 -1.471 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.536 -7.817 -0.713 1.00 16.46 H new ATOM 223 N THR A 14 0.143 -10.393 -0.292 1.00 9.39 N ATOM 224 CA THR A 14 1.497 -10.284 -0.659 1.00 9.63 C ATOM 225 C THR A 14 1.799 -9.724 -2.033 1.00 11.20 C ATOM 226 O THR A 14 1.165 -10.074 -3.014 1.00 11.63 O ATOM 227 CB THR A 14 2.103 -11.681 -0.586 1.00 10.38 C ATOM 228 OG1 THR A 14 2.232 -12.192 0.763 1.00 16.30 O ATOM 229 CG2 THR A 14 3.569 -11.742 -1.077 1.00 11.66 C ATOM 0 H THR A 14 -0.410 -10.940 -0.952 1.00 9.39 H new ATOM 0 HA THR A 14 1.921 -9.560 0.036 1.00 9.63 H new ATOM 0 HB THR A 14 1.408 -12.251 -1.202 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.625 -13.089 0.737 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.937 -12.765 -0.998 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.618 -11.418 -2.117 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.186 -11.086 -0.463 1.00 11.66 H new ATOM 237 N LEU A 15 2.797 -8.845 -2.162 1.00 8.29 N ATOM 238 CA LEU A 15 3.045 -8.153 -3.435 1.00 9.03 C ATOM 239 C LEU A 15 4.492 -8.259 -3.779 1.00 8.59 C ATOM 240 O LEU A 15 5.367 -8.368 -2.951 1.00 7.79 O ATOM 241 CB LEU A 15 2.822 -6.618 -3.318 1.00 11.08 C ATOM 242 CG LEU A 15 1.368 -6.242 -2.804 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.341 -4.687 -2.616 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.263 -6.734 -3.654 1.00 15.27 C ATOM 0 H LEU A 15 3.441 -8.596 -1.411 1.00 8.29 H new ATOM 0 HA LEU A 15 2.372 -8.608 -4.162 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.562 -6.199 -2.636 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.988 -6.157 -4.291 1.00 11.08 H new ATOM 0 HG LEU A 15 1.185 -6.755 -1.860 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.357 -4.380 -2.262 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.096 -4.396 -1.886 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.551 -4.202 -3.569 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.691 -6.429 -3.224 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.360 -6.315 -4.655 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.304 -7.822 -3.711 1.00 15.27 H new ATOM 256 N GLU A 16 4.834 -8.106 -5.070 1.00 11.04 N ATOM 257 CA GLU A 16 6.179 -8.098 -5.558 1.00 11.50 C ATOM 258 C GLU A 16 6.422 -6.679 -6.153 1.00 10.13 C ATOM 259 O GLU A 16 5.725 -6.191 -7.041 1.00 9.83 O ATOM 260 CB GLU A 16 6.282 -9.252 -6.642 1.00 17.22 C ATOM 261 CG GLU A 16 7.683 -9.456 -7.259 1.00 23.33 C ATOM 262 CD GLU A 16 8.684 -10.023 -6.211 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.345 -10.958 -5.455 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.827 -9.505 -6.243 1.00 28.90 O ATOM 0 H GLU A 16 4.141 -7.982 -5.808 1.00 11.04 H new ATOM 0 HA GLU A 16 6.936 -8.285 -4.796 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.966 -10.188 -6.183 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.577 -9.037 -7.445 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.614 -10.139 -8.106 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.055 -8.507 -7.644 1.00 23.33 H new ATOM 271 N VAL A 17 7.375 -5.925 -5.553 1.00 8.99 N ATOM 272 CA VAL A 17 7.697 -4.578 -5.884 1.00 8.85 C ATOM 273 C VAL A 17 9.257 -4.368 -6.108 1.00 8.04 C ATOM 274 O VAL A 17 10.113 -5.209 -5.778 1.00 8.99 O ATOM 275 CB VAL A 17 7.351 -3.592 -4.790 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.870 -3.809 -4.309 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.239 -3.739 -3.574 1.00 10.54 C ATOM 0 H VAL A 17 7.949 -6.288 -4.792 1.00 8.99 H new ATOM 0 HA VAL A 17 7.114 -4.398 -6.787 1.00 8.85 H new ATOM 0 HB VAL A 17 7.492 -2.601 -5.222 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.635 -3.093 -3.522 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.190 -3.663 -5.148 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.757 -4.822 -3.923 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.948 -3.008 -2.820 1.00 10.54 H new ATOM 0 HG22 VAL A 17 8.133 -4.744 -3.165 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.278 -3.572 -3.859 1.00 10.54 H new ATOM 287 N GLU A 18 9.616 -3.195 -6.703 1.00 7.29 N ATOM 288 CA GLU A 18 10.965 -2.650 -6.732 1.00 7.08 C ATOM 289 C GLU A 18 10.983 -1.403 -5.837 1.00 6.45 C ATOM 290 O GLU A 18 9.941 -0.766 -5.803 1.00 5.28 O ATOM 291 CB GLU A 18 11.465 -2.305 -8.168 1.00 10.28 C ATOM 292 CG GLU A 18 11.764 -3.572 -9.113 1.00 12.65 C ATOM 293 CD GLU A 18 13.002 -4.366 -8.815 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.113 -3.816 -8.771 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.855 -5.609 -8.629 1.00 18.17 O ATOM 0 H GLU A 18 8.940 -2.601 -7.184 1.00 7.29 H new ATOM 0 HA GLU A 18 11.652 -3.412 -6.364 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.718 -1.678 -8.654 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.375 -1.711 -8.085 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.908 -4.245 -9.058 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.827 -3.220 -10.143 1.00 12.65 H new ATOM 302 N PRO A 19 12.069 -0.955 -5.245 1.00 7.24 N ATOM 303 CA PRO A 19 12.124 0.313 -4.470 1.00 7.07 C ATOM 304 C PRO A 19 11.615 1.537 -5.168 1.00 6.65 C ATOM 305 O PRO A 19 11.253 2.516 -4.505 1.00 6.37 O ATOM 306 CB PRO A 19 13.613 0.484 -4.150 1.00 7.61 C ATOM 307 CG PRO A 19 14.086 -0.979 -4.058 1.00 8.16 C ATOM 308 CD PRO A 19 13.360 -1.637 -5.219 1.00 7.49 C ATOM 0 HA PRO A 19 11.464 0.229 -3.607 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.138 1.035 -4.930 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.771 1.024 -3.217 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.168 -1.062 -4.158 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.818 -1.432 -3.104 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.901 -1.507 -6.156 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.244 -2.710 -5.064 1.00 7.49 H new ATOM 316 N SER A 20 11.644 1.535 -6.491 1.00 6.80 N ATOM 317 CA SER A 20 11.334 2.668 -7.346 1.00 6.28 C ATOM 318 C SER A 20 9.831 2.812 -7.622 1.00 8.45 C ATOM 319 O SER A 20 9.439 3.846 -8.199 1.00 7.26 O ATOM 320 CB SER A 20 12.111 2.597 -8.658 1.00 8.57 C ATOM 321 OG SER A 20 12.042 1.257 -9.138 1.00 11.13 O ATOM 0 H SER A 20 11.897 0.702 -7.023 1.00 6.80 H new ATOM 0 HA SER A 20 11.646 3.557 -6.799 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.688 3.286 -9.389 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.148 2.894 -8.503 1.00 8.57 H new ATOM 0 HG SER A 20 12.534 1.186 -9.983 1.00 11.13 H new ATOM 327 N ASP A 21 8.961 1.823 -7.252 1.00 7.50 N ATOM 328 CA ASP A 21 7.559 1.904 -7.273 1.00 7.70 C ATOM 329 C ASP A 21 6.964 2.884 -6.259 1.00 7.08 C ATOM 330 O ASP A 21 7.488 3.100 -5.184 1.00 8.11 O ATOM 331 CB ASP A 21 6.997 0.448 -6.956 1.00 11.00 C ATOM 332 CG ASP A 21 7.400 -0.554 -8.035 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.552 -0.197 -9.250 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.482 -1.790 -7.692 1.00 18.03 O ATOM 0 H ASP A 21 9.291 0.917 -6.920 1.00 7.50 H new ATOM 0 HA ASP A 21 7.271 2.276 -8.256 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.373 0.114 -5.989 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.910 0.485 -6.880 1.00 11.00 H new ATOM 339 N THR A 22 5.852 3.542 -6.653 1.00 5.37 N ATOM 340 CA THR A 22 5.236 4.539 -5.779 1.00 6.01 C ATOM 341 C THR A 22 4.149 3.780 -4.995 1.00 8.01 C ATOM 342 O THR A 22 3.784 2.631 -5.239 1.00 8.11 O ATOM 343 CB THR A 22 4.623 5.668 -6.538 1.00 8.92 C ATOM 344 OG1 THR A 22 3.714 5.304 -7.590 1.00 10.22 O ATOM 345 CG2 THR A 22 5.661 6.514 -7.297 1.00 9.65 C ATOM 0 H THR A 22 5.380 3.400 -7.546 1.00 5.37 H new ATOM 0 HA THR A 22 5.988 4.991 -5.133 1.00 6.01 H new ATOM 0 HB THR A 22 4.111 6.188 -5.728 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.133 4.631 -8.166 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.155 7.319 -7.830 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.372 6.938 -6.589 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.192 5.884 -8.011 1.00 9.65 H new ATOM 353 N ILE A 23 3.568 4.504 -4.000 1.00 8.32 N ATOM 354 CA ILE A 23 2.375 4.010 -3.279 1.00 9.92 C ATOM 355 C ILE A 23 1.143 3.839 -4.201 1.00 10.01 C ATOM 356 O ILE A 23 0.321 2.958 -3.996 1.00 8.71 O ATOM 357 CB ILE A 23 2.132 4.964 -2.012 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.419 5.206 -1.235 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.033 4.367 -1.107 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.190 3.988 -0.694 1.00 12.30 C ATOM 0 H ILE A 23 3.903 5.415 -3.687 1.00 8.32 H new ATOM 0 HA ILE A 23 2.549 2.997 -2.916 1.00 9.92 H new ATOM 0 HB ILE A 23 1.796 5.935 -2.374 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.095 5.767 -1.880 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.179 5.849 -0.388 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.874 5.020 -0.249 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.105 4.277 -1.672 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.343 3.381 -0.760 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.081 4.327 -0.166 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.553 3.429 -0.009 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.483 3.345 -1.524 1.00 12.30 H new ATOM 372 N GLU A 24 0.904 4.696 -5.210 1.00 9.54 N ATOM 373 CA GLU A 24 -0.156 4.461 -6.243 1.00 11.81 C ATOM 374 C GLU A 24 0.025 3.146 -7.115 1.00 11.14 C ATOM 375 O GLU A 24 -0.980 2.560 -7.549 1.00 10.62 O ATOM 376 CB GLU A 24 -0.134 5.702 -7.192 1.00 19.24 C ATOM 377 CG GLU A 24 -1.313 5.799 -8.230 1.00 27.76 C ATOM 378 CD GLU A 24 -1.175 6.989 -9.165 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.187 7.034 -9.943 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.088 7.862 -9.128 1.00 34.80 O ATOM 0 H GLU A 24 1.425 5.563 -5.344 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.100 4.322 -5.715 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.141 6.603 -6.579 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.808 5.698 -7.741 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.350 4.882 -8.818 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.259 5.872 -7.693 1.00 27.76 H new ATOM 387 N ASN A 25 1.329 2.710 -7.370 1.00 9.43 N ATOM 388 CA ASN A 25 1.622 1.409 -7.915 1.00 10.96 C ATOM 389 C ASN A 25 1.321 0.263 -6.983 1.00 9.68 C ATOM 390 O ASN A 25 0.906 -0.809 -7.407 1.00 9.33 O ATOM 391 CB ASN A 25 3.134 1.263 -8.359 1.00 16.78 C ATOM 392 CG ASN A 25 3.590 2.420 -9.348 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.678 2.962 -9.163 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.837 2.593 -10.488 1.00 24.70 N ATOM 0 H ASN A 25 2.156 3.278 -7.189 1.00 9.43 H new ATOM 0 HA ASN A 25 0.957 1.348 -8.777 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.772 1.272 -7.475 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.276 0.297 -8.844 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.176 3.198 -11.236 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.941 2.116 -10.584 1.00 24.70 H new ATOM 401 N VAL A 26 1.530 0.440 -5.638 1.00 6.52 N ATOM 402 CA VAL A 26 1.195 -0.595 -4.635 1.00 5.53 C ATOM 403 C VAL A 26 -0.329 -0.923 -4.688 1.00 4.42 C ATOM 404 O VAL A 26 -0.762 -2.067 -4.735 1.00 3.40 O ATOM 405 CB VAL A 26 1.680 -0.155 -3.212 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.158 -1.106 -2.117 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.221 -0.188 -3.150 1.00 8.12 C ATOM 0 H VAL A 26 1.928 1.290 -5.238 1.00 6.52 H new ATOM 0 HA VAL A 26 1.724 -1.518 -4.871 1.00 5.53 H new ATOM 0 HB VAL A 26 1.296 0.851 -3.039 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.514 -0.770 -1.143 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.068 -1.106 -2.124 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.522 -2.115 -2.308 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.552 0.119 -2.158 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.572 -1.200 -3.352 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.630 0.494 -3.896 1.00 8.12 H new ATOM 417 N LYS A 27 -1.123 0.087 -4.898 1.00 2.64 N ATOM 418 CA LYS A 27 -2.566 -0.052 -4.960 1.00 4.14 C ATOM 419 C LYS A 27 -3.006 -0.744 -6.244 1.00 5.58 C ATOM 420 O LYS A 27 -4.063 -1.394 -6.287 1.00 4.11 O ATOM 421 CB LYS A 27 -3.265 1.400 -4.909 1.00 3.97 C ATOM 422 CG LYS A 27 -2.876 2.099 -3.623 1.00 7.45 C ATOM 423 CD LYS A 27 -3.498 3.490 -3.580 1.00 9.02 C ATOM 424 CE LYS A 27 -2.997 4.332 -2.398 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.740 5.553 -2.376 1.00 15.47 N ATOM 0 H LYS A 27 -0.793 1.043 -5.033 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.869 -0.656 -4.104 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.955 1.996 -5.768 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.349 1.297 -4.967 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.211 1.515 -2.766 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.791 2.174 -3.554 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.275 4.011 -4.511 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.582 3.396 -3.519 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.128 3.790 -1.462 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.931 4.537 -2.501 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.394 6.156 -1.602 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.619 6.049 -3.282 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.748 5.343 -2.228 1.00 15.47 H new ATOM 439 N ALA A 28 -2.199 -0.607 -7.292 1.00 6.61 N ATOM 440 CA ALA A 28 -2.456 -1.279 -8.570 1.00 7.74 C ATOM 441 C ALA A 28 -2.199 -2.771 -8.455 1.00 9.17 C ATOM 442 O ALA A 28 -2.921 -3.590 -9.041 1.00 11.45 O ATOM 443 CB ALA A 28 -1.656 -0.541 -9.713 1.00 7.68 C ATOM 0 H ALA A 28 -1.355 -0.034 -7.285 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.508 -1.209 -8.846 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.843 -1.036 -10.666 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.982 0.497 -9.773 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.590 -0.574 -9.490 1.00 7.68 H new ATOM 449 N LYS A 29 -1.107 -3.163 -7.785 1.00 8.96 N ATOM 450 CA LYS A 29 -0.857 -4.583 -7.410 1.00 7.90 C ATOM 451 C LYS A 29 -1.972 -5.152 -6.521 1.00 6.92 C ATOM 452 O LYS A 29 -2.345 -6.296 -6.688 1.00 6.87 O ATOM 453 CB LYS A 29 0.556 -4.630 -6.807 1.00 10.28 C ATOM 454 CG LYS A 29 1.688 -4.174 -7.731 1.00 14.94 C ATOM 455 CD LYS A 29 2.972 -3.961 -6.935 1.00 19.69 C ATOM 456 CE LYS A 29 4.116 -3.254 -7.668 1.00 22.63 C ATOM 457 NZ LYS A 29 4.627 -4.017 -8.834 1.00 24.98 N ATOM 0 H LYS A 29 -0.373 -2.522 -7.485 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.887 -5.246 -8.275 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.570 -4.008 -5.912 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.761 -5.652 -6.488 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.854 -4.920 -8.508 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.406 -3.248 -8.233 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.729 -3.384 -6.043 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.331 -4.934 -6.598 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.773 -2.276 -8.005 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.934 -3.081 -6.969 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.302 -3.430 -9.365 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 5.105 -4.879 -8.502 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.833 -4.278 -9.453 1.00 24.98 H new ATOM 471 N ILE A 30 -2.442 -4.376 -5.527 1.00 4.57 N ATOM 472 CA ILE A 30 -3.574 -4.728 -4.591 1.00 5.58 C ATOM 473 C ILE A 30 -4.895 -4.810 -5.305 1.00 7.26 C ATOM 474 O ILE A 30 -5.657 -5.729 -4.988 1.00 9.46 O ATOM 475 CB ILE A 30 -3.698 -3.703 -3.449 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.492 -3.735 -2.489 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.050 -3.844 -2.706 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.400 -2.592 -1.541 1.00 2.00 C ATOM 0 H ILE A 30 -2.047 -3.456 -5.331 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.331 -5.708 -4.181 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.685 -2.714 -3.907 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.532 -4.660 -1.914 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.578 -3.768 -3.082 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.104 -3.105 -1.906 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.869 -3.681 -3.407 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.129 -4.845 -2.282 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.518 -2.711 -0.912 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.323 -1.660 -2.101 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.292 -2.566 -0.915 1.00 2.00 H new ATOM 490 N GLN A 31 -5.126 -3.981 -6.392 1.00 7.06 N ATOM 491 CA GLN A 31 -6.259 -4.084 -7.271 1.00 8.67 C ATOM 492 C GLN A 31 -6.414 -5.424 -7.992 1.00 10.90 C ATOM 493 O GLN A 31 -7.509 -5.999 -8.005 1.00 9.63 O ATOM 494 CB GLN A 31 -6.241 -2.931 -8.397 1.00 9.12 C ATOM 495 CG GLN A 31 -7.455 -3.028 -9.267 1.00 10.76 C ATOM 496 CD GLN A 31 -7.462 -1.849 -10.250 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.591 -0.996 -10.174 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.607 -1.772 -10.986 1.00 14.76 N ATOM 0 H GLN A 31 -4.492 -3.224 -6.647 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.106 -3.976 -6.593 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.205 -1.951 -7.922 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.342 -3.023 -9.006 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.453 -3.972 -9.812 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.358 -3.014 -8.656 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.271 -2.546 -10.978 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.799 -0.940 -11.544 1.00 14.76 H new ATOM 507 N ASP A 32 -5.299 -5.996 -8.441 1.00 10.93 N ATOM 508 CA ASP A 32 -5.188 -7.334 -8.909 1.00 14.01 C ATOM 509 C ASP A 32 -5.439 -8.501 -7.800 1.00 14.04 C ATOM 510 O ASP A 32 -6.050 -9.540 -8.104 1.00 13.39 O ATOM 511 CB ASP A 32 -3.975 -7.469 -9.885 1.00 18.01 C ATOM 512 CG ASP A 32 -4.118 -8.713 -10.791 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.035 -8.743 -11.606 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.186 -9.529 -10.693 1.00 26.29 O ATOM 0 H ASP A 32 -4.413 -5.493 -8.481 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.059 -7.556 -9.526 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.901 -6.574 -10.502 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.050 -7.538 -9.312 1.00 18.01 H new ATOM 519 N LYS A 33 -4.885 -8.383 -6.530 1.00 14.22 N ATOM 520 CA LYS A 33 -5.145 -9.348 -5.479 1.00 14.00 C ATOM 521 C LYS A 33 -6.551 -9.397 -5.006 1.00 12.37 C ATOM 522 O LYS A 33 -7.205 -10.453 -4.930 1.00 12.17 O ATOM 523 CB LYS A 33 -4.241 -9.034 -4.247 1.00 18.62 C ATOM 524 CG LYS A 33 -2.755 -9.077 -4.617 1.00 24.00 C ATOM 525 CD LYS A 33 -2.311 -10.540 -4.447 1.00 27.61 C ATOM 526 CE LYS A 33 -0.932 -10.801 -5.054 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.207 -11.993 -4.561 1.00 30.06 N ATOM 0 H LYS A 33 -4.266 -7.621 -6.252 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.926 -10.318 -5.925 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.491 -8.049 -3.853 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.441 -9.755 -3.454 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.599 -8.740 -5.642 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.174 -8.417 -3.973 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.292 -10.791 -3.386 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.043 -11.197 -4.917 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.047 -10.894 -6.134 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.309 -9.925 -4.874 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.257 -12.472 -5.359 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.511 -11.701 -3.868 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.879 -12.646 -4.109 1.00 30.06 H new ATOM 541 N GLU A 34 -7.111 -8.255 -4.599 1.00 10.11 N ATOM 542 CA GLU A 34 -8.364 -8.268 -3.797 1.00 10.07 C ATOM 543 C GLU A 34 -9.495 -7.523 -4.535 1.00 9.32 C ATOM 544 O GLU A 34 -10.631 -7.624 -4.089 1.00 11.61 O ATOM 545 CB GLU A 34 -8.138 -7.583 -2.474 1.00 14.77 C ATOM 546 CG GLU A 34 -7.335 -8.422 -1.465 1.00 18.75 C ATOM 547 CD GLU A 34 -8.051 -9.740 -1.124 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.938 -9.720 -0.211 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.769 -10.829 -1.719 1.00 21.95 O ATOM 0 H GLU A 34 -6.739 -7.327 -4.798 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.649 -9.309 -3.643 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.614 -6.643 -2.648 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.104 -7.333 -2.036 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.349 -8.639 -1.875 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.181 -7.845 -0.553 1.00 18.75 H new ATOM 556 N GLY A 35 -9.317 -6.896 -5.726 1.00 7.22 N ATOM 557 CA GLY A 35 -10.364 -6.245 -6.462 1.00 6.29 C ATOM 558 C GLY A 35 -10.780 -4.938 -5.898 1.00 6.93 C ATOM 559 O GLY A 35 -11.941 -4.650 -5.919 1.00 7.41 O ATOM 0 H GLY A 35 -8.409 -6.843 -6.189 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.032 -6.096 -7.489 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.231 -6.905 -6.500 1.00 6.29 H new ATOM 563 N ILE A 36 -9.779 -4.191 -5.470 1.00 5.86 N ATOM 564 CA ILE A 36 -10.024 -3.008 -4.697 1.00 6.07 C ATOM 565 C ILE A 36 -9.628 -1.842 -5.579 1.00 6.36 C ATOM 566 O ILE A 36 -8.467 -1.769 -5.980 1.00 6.18 O ATOM 567 CB ILE A 36 -9.266 -2.838 -3.363 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.558 -4.123 -2.553 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.840 -1.651 -2.545 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.618 -4.296 -1.324 1.00 9.49 C ATOM 0 H ILE A 36 -8.795 -4.389 -5.649 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.072 -3.071 -4.405 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.207 -2.661 -3.551 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.593 -4.103 -2.212 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.455 -4.989 -3.207 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.288 -1.553 -1.610 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.743 -0.731 -3.122 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.892 -1.834 -2.328 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.873 -5.216 -0.797 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.583 -4.347 -1.662 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.739 -3.447 -0.651 1.00 9.49 H new ATOM 582 N PRO A 37 -10.458 -0.856 -5.967 1.00 8.65 N ATOM 583 CA PRO A 37 -9.951 0.325 -6.652 1.00 9.18 C ATOM 584 C PRO A 37 -8.803 1.097 -5.911 1.00 9.85 C ATOM 585 O PRO A 37 -8.955 1.296 -4.738 1.00 8.51 O ATOM 586 CB PRO A 37 -11.194 1.214 -6.703 1.00 11.42 C ATOM 587 CG PRO A 37 -12.228 0.139 -7.055 1.00 9.27 C ATOM 588 CD PRO A 37 -11.858 -0.965 -6.060 1.00 8.33 C ATOM 0 HA PRO A 37 -9.500 0.050 -7.606 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.402 1.706 -5.753 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.124 1.997 -7.458 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.251 0.491 -6.918 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.141 -0.193 -8.090 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.339 -0.814 -5.094 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.163 -1.949 -6.418 1.00 8.33 H new ATOM 596 N PRO A 38 -7.678 1.594 -6.469 1.00 8.71 N ATOM 597 CA PRO A 38 -6.763 2.514 -5.753 1.00 9.08 C ATOM 598 C PRO A 38 -7.381 3.674 -4.976 1.00 9.28 C ATOM 599 O PRO A 38 -6.850 3.997 -3.950 1.00 6.50 O ATOM 600 CB PRO A 38 -5.860 2.992 -6.971 1.00 10.31 C ATOM 601 CG PRO A 38 -5.788 1.826 -7.957 1.00 10.81 C ATOM 602 CD PRO A 38 -7.125 1.158 -7.770 1.00 12.00 C ATOM 0 HA PRO A 38 -6.254 2.022 -4.924 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.289 3.874 -7.447 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.863 3.269 -6.627 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.646 2.169 -8.982 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.962 1.152 -7.729 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.802 1.427 -8.581 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.015 0.074 -7.793 1.00 12.00 H new ATOM 610 N ASP A 39 -8.488 4.188 -5.553 1.00 11.20 N ATOM 611 CA ASP A 39 -9.295 5.345 -5.156 1.00 14.96 C ATOM 612 C ASP A 39 -9.913 5.270 -3.811 1.00 13.99 C ATOM 613 O ASP A 39 -10.259 6.252 -3.200 1.00 13.75 O ATOM 614 CB ASP A 39 -10.323 5.607 -6.231 1.00 24.16 C ATOM 615 CG ASP A 39 -9.741 5.785 -7.593 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.261 6.837 -7.953 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.759 4.742 -8.354 1.00 34.22 O ATOM 0 H ASP A 39 -8.871 3.754 -6.393 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.606 6.185 -5.061 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.030 4.778 -6.254 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.889 6.501 -5.969 1.00 24.16 H new ATOM 622 N GLN A 40 -10.069 4.066 -3.298 1.00 11.60 N ATOM 623 CA GLN A 40 -10.600 3.688 -2.074 1.00 10.76 C ATOM 624 C GLN A 40 -9.537 3.207 -1.056 1.00 8.01 C ATOM 625 O GLN A 40 -9.843 2.946 0.103 1.00 8.96 O ATOM 626 CB GLN A 40 -11.669 2.615 -2.280 1.00 11.14 C ATOM 627 CG GLN A 40 -12.954 3.138 -3.016 1.00 14.85 C ATOM 628 CD GLN A 40 -14.008 1.999 -3.013 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.853 0.942 -3.575 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.121 2.258 -2.271 1.00 18.16 N ATOM 0 H GLN A 40 -9.776 3.247 -3.830 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.047 4.582 -1.639 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.241 1.794 -2.855 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.956 2.210 -1.310 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.347 4.022 -2.514 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.714 3.432 -4.038 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.226 3.160 -1.807 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.849 1.550 -2.180 1.00 18.16 H new ATOM 639 N GLN A 41 -8.290 3.052 -1.534 1.00 6.52 N ATOM 640 CA GLN A 41 -7.200 2.531 -0.819 1.00 3.87 C ATOM 641 C GLN A 41 -6.391 3.584 -0.119 1.00 4.79 C ATOM 642 O GLN A 41 -5.851 4.476 -0.789 1.00 6.34 O ATOM 643 CB GLN A 41 -6.329 1.709 -1.785 1.00 4.20 C ATOM 644 CG GLN A 41 -6.957 0.352 -2.199 1.00 3.20 C ATOM 645 CD GLN A 41 -5.946 -0.341 -3.115 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.795 -0.603 -2.733 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.297 -0.619 -4.405 1.00 7.13 N ATOM 0 H GLN A 41 -8.042 3.314 -2.488 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.589 1.894 -0.025 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.141 2.300 -2.682 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.362 1.523 -1.318 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.167 -0.260 -1.322 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.905 0.506 -2.715 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.240 -0.409 -4.734 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.617 -1.036 -5.040 1.00 7.13 H new ATOM 656 N ARG A 42 -6.254 3.424 1.219 1.00 5.73 N ATOM 657 CA ARG A 42 -5.260 4.203 1.883 1.00 6.97 C ATOM 658 C ARG A 42 -4.243 3.340 2.671 1.00 7.15 C ATOM 659 O ARG A 42 -4.468 2.242 3.125 1.00 7.33 O ATOM 660 CB ARG A 42 -5.986 5.086 2.984 1.00 13.23 C ATOM 661 CG ARG A 42 -6.327 6.545 2.548 1.00 21.27 C ATOM 662 CD ARG A 42 -7.008 7.339 3.714 1.00 26.14 C ATOM 663 NE ARG A 42 -7.355 8.741 3.152 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.215 9.534 3.769 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.751 9.198 4.905 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.507 10.729 3.332 1.00 36.39 N ATOM 0 H ARG A 42 -6.799 2.793 1.806 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.740 4.774 1.113 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.909 4.586 3.276 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.352 5.127 3.870 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.416 7.057 2.239 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.990 6.524 1.683 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.906 6.827 4.059 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.339 7.420 4.570 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.912 9.058 2.290 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.510 8.307 5.339 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.412 9.826 5.363 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.066 11.084 2.484 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.176 11.308 3.839 1.00 36.39 H new ATOM 680 N LEU A 43 -2.943 3.850 2.574 1.00 4.65 N ATOM 681 CA LEU A 43 -1.789 3.014 2.826 1.00 3.51 C ATOM 682 C LEU A 43 -1.038 3.668 3.999 1.00 5.56 C ATOM 683 O LEU A 43 -0.995 4.897 4.111 1.00 4.19 O ATOM 684 CB LEU A 43 -0.942 2.706 1.516 1.00 3.74 C ATOM 685 CG LEU A 43 -1.393 1.548 0.681 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.742 1.395 -0.718 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.284 0.255 1.498 1.00 6.41 C ATOM 0 H LEU A 43 -2.723 4.815 2.327 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.068 2.002 3.121 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.946 3.599 0.890 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.092 2.529 1.813 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.431 1.769 0.434 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.156 0.519 -1.218 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.948 2.284 -1.314 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.336 1.274 -0.607 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.612 -0.588 0.890 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.248 0.102 1.801 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.914 0.330 2.384 1.00 6.41 H new ATOM 699 N ILE A 44 -0.466 2.786 4.860 1.00 4.58 N ATOM 700 CA ILE A 44 0.045 3.106 6.137 1.00 5.55 C ATOM 701 C ILE A 44 1.359 2.354 6.227 1.00 5.46 C ATOM 702 O ILE A 44 1.296 1.188 6.001 1.00 6.04 O ATOM 703 CB ILE A 44 -0.901 2.625 7.205 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.451 2.964 7.034 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.421 2.950 8.640 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.752 4.433 7.013 1.00 13.90 C ATOM 0 H ILE A 44 -0.364 1.797 4.633 1.00 4.58 H new ATOM 0 HA ILE A 44 0.173 4.179 6.277 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.853 1.548 7.044 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.811 2.516 6.108 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.007 2.501 7.849 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.148 2.576 9.360 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.543 2.474 8.818 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.319 4.029 8.754 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.825 4.583 6.894 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.424 4.885 7.949 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.226 4.900 6.181 1.00 13.90 H new ATOM 718 N PHE A 45 2.408 3.009 6.724 1.00 6.75 N ATOM 719 CA PHE A 45 3.707 2.442 7.093 1.00 4.70 C ATOM 720 C PHE A 45 4.289 3.256 8.269 1.00 6.34 C ATOM 721 O PHE A 45 4.002 4.432 8.417 1.00 5.45 O ATOM 722 CB PHE A 45 4.646 2.221 5.905 1.00 5.51 C ATOM 723 CG PHE A 45 6.056 1.742 6.147 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.244 0.368 6.272 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.124 2.617 6.374 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.496 -0.116 6.625 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.404 2.156 6.667 1.00 6.64 C ATOM 728 CZ PHE A 45 8.597 0.749 6.779 1.00 6.84 C ATOM 0 H PHE A 45 2.372 4.015 6.891 1.00 6.75 H new ATOM 0 HA PHE A 45 3.570 1.420 7.447 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.167 1.502 5.241 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.711 3.163 5.361 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.425 -0.313 6.096 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.950 3.682 6.320 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.629 -1.176 6.785 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.225 2.843 6.805 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.580 0.349 6.980 1.00 6.84 H new ATOM 738 N ALA A 46 4.908 2.525 9.172 1.00 6.53 N ATOM 739 CA ALA A 46 5.659 2.971 10.340 1.00 7.15 C ATOM 740 C ALA A 46 4.802 3.605 11.408 1.00 9.00 C ATOM 741 O ALA A 46 5.348 4.192 12.359 1.00 11.15 O ATOM 742 CB ALA A 46 6.805 3.892 9.917 1.00 8.99 C ATOM 0 H ALA A 46 4.901 1.507 9.106 1.00 6.53 H new ATOM 0 HA ALA A 46 6.076 2.076 10.802 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.356 4.216 10.800 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.476 3.354 9.248 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.400 4.763 9.402 1.00 8.99 H new ATOM 748 N GLY A 47 3.485 3.381 11.316 1.00 9.35 N ATOM 749 CA GLY A 47 2.423 3.994 12.096 1.00 11.68 C ATOM 750 C GLY A 47 1.808 5.225 11.460 1.00 11.14 C ATOM 751 O GLY A 47 0.991 5.932 12.050 1.00 13.93 O ATOM 0 H GLY A 47 3.115 2.713 10.639 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.639 3.256 12.262 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.818 4.265 13.075 1.00 11.68 H new ATOM 755 N LYS A 48 2.131 5.622 10.254 1.00 10.47 N ATOM 756 CA LYS A 48 1.758 6.862 9.629 1.00 8.82 C ATOM 757 C LYS A 48 1.192 6.662 8.194 1.00 7.68 C ATOM 758 O LYS A 48 1.406 5.624 7.535 1.00 6.47 O ATOM 759 CB LYS A 48 2.910 7.963 9.709 1.00 9.74 C ATOM 760 CG LYS A 48 4.267 7.621 9.037 1.00 14.14 C ATOM 761 CD LYS A 48 4.378 7.855 7.566 1.00 16.32 C ATOM 762 CE LYS A 48 5.798 7.415 7.037 1.00 20.04 C ATOM 763 NZ LYS A 48 6.902 8.275 7.436 1.00 23.92 N ATOM 0 H LYS A 48 2.704 5.042 9.641 1.00 10.47 H new ATOM 0 HA LYS A 48 0.932 7.265 10.215 1.00 8.82 H new ATOM 0 HB2 LYS A 48 2.532 8.881 9.258 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.099 8.178 10.761 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.045 8.203 9.531 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.484 6.570 9.229 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.601 7.296 7.044 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.214 8.910 7.347 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.001 6.403 7.388 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.766 7.374 5.948 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.790 7.905 7.041 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.739 9.238 7.079 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.967 8.297 8.474 1.00 23.92 H new ATOM 777 N GLN A 49 0.371 7.593 7.580 1.00 8.89 N ATOM 778 CA GLN A 49 -0.397 7.555 6.314 1.00 7.18 C ATOM 779 C GLN A 49 0.457 8.057 5.091 1.00 8.23 C ATOM 780 O GLN A 49 1.210 9.029 5.113 1.00 9.70 O ATOM 781 CB GLN A 49 -1.694 8.370 6.451 1.00 11.67 C ATOM 782 CG GLN A 49 -2.654 8.233 5.245 1.00 15.82 C ATOM 783 CD GLN A 49 -3.978 9.015 5.478 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.929 8.467 6.071 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.091 10.228 4.907 1.00 20.67 N ATOM 0 H GLN A 49 0.229 8.494 8.036 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.656 6.515 6.116 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.215 8.055 7.355 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.438 9.422 6.581 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.164 8.605 4.345 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.878 7.180 5.074 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.291 10.644 4.431 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.977 10.732 4.950 1.00 20.67 H new ATOM 794 N LEU A 50 0.449 7.321 3.968 1.00 6.51 N ATOM 795 CA LEU A 50 1.298 7.451 2.797 1.00 7.41 C ATOM 796 C LEU A 50 0.672 8.177 1.667 1.00 8.27 C ATOM 797 O LEU A 50 -0.527 8.024 1.362 1.00 8.34 O ATOM 798 CB LEU A 50 1.796 6.082 2.322 1.00 7.13 C ATOM 799 CG LEU A 50 2.327 5.186 3.497 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.009 3.878 2.977 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.421 5.985 4.315 1.00 9.11 C ATOM 0 H LEU A 50 -0.215 6.555 3.858 1.00 6.51 H new ATOM 0 HA LEU A 50 2.140 8.060 3.126 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.985 5.562 1.813 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.592 6.224 1.591 1.00 7.13 H new ATOM 0 HG LEU A 50 1.466 4.925 4.112 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.361 3.290 3.824 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.288 3.295 2.404 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.854 4.137 2.339 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.791 5.364 5.131 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.248 6.248 3.656 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.979 6.894 4.722 1.00 9.11 H new ATOM 813 N GLU A 51 1.470 9.038 0.973 1.00 9.43 N ATOM 814 CA GLU A 51 1.106 9.742 -0.219 1.00 11.90 C ATOM 815 C GLU A 51 1.423 8.920 -1.488 1.00 11.49 C ATOM 816 O GLU A 51 2.491 8.350 -1.636 1.00 9.88 O ATOM 817 CB GLU A 51 1.691 11.190 -0.216 1.00 16.56 C ATOM 818 CG GLU A 51 1.378 11.940 1.109 1.00 26.06 C ATOM 819 CD GLU A 51 1.525 13.473 1.112 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.005 14.030 0.081 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.235 14.183 2.096 1.00 32.13 O ATOM 0 H GLU A 51 2.423 9.246 1.272 1.00 9.43 H new ATOM 0 HA GLU A 51 0.023 9.868 -0.236 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.770 11.146 -0.362 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.279 11.750 -1.056 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.355 11.700 1.397 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.030 11.538 1.885 1.00 26.06 H new ATOM 828 N ASP A 52 0.426 8.891 -2.461 1.00 12.71 N ATOM 829 CA ASP A 52 0.388 8.238 -3.738 1.00 16.56 C ATOM 830 C ASP A 52 1.595 8.451 -4.635 1.00 15.83 C ATOM 831 O ASP A 52 1.997 7.501 -5.257 1.00 17.21 O ATOM 832 CB ASP A 52 -0.849 8.694 -4.570 1.00 21.05 C ATOM 833 CG ASP A 52 -2.162 8.336 -3.872 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.471 9.037 -2.928 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.790 7.328 -4.278 1.00 25.82 O ATOM 0 H ASP A 52 -0.445 9.397 -2.299 1.00 12.71 H new ATOM 0 HA ASP A 52 0.355 7.185 -3.460 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.803 9.771 -4.730 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.820 8.225 -5.553 1.00 21.05 H new ATOM 840 N GLY A 53 2.203 9.684 -4.702 1.00 15.00 N ATOM 841 CA GLY A 53 3.200 10.029 -5.671 1.00 11.77 C ATOM 842 C GLY A 53 4.587 9.679 -5.307 1.00 11.10 C ATOM 843 O GLY A 53 5.509 9.981 -6.013 1.00 11.25 O ATOM 0 H GLY A 53 1.983 10.445 -4.059 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.954 9.536 -6.611 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.150 11.103 -5.852 1.00 11.77 H new ATOM 847 N ARG A 54 4.744 9.161 -4.088 1.00 8.53 N ATOM 848 CA ARG A 54 6.059 9.078 -3.379 1.00 9.05 C ATOM 849 C ARG A 54 6.653 7.685 -3.576 1.00 8.96 C ATOM 850 O ARG A 54 5.865 6.799 -3.732 1.00 11.60 O ATOM 851 CB ARG A 54 5.950 9.213 -1.812 1.00 7.97 C ATOM 852 CG ARG A 54 5.276 10.508 -1.342 1.00 9.62 C ATOM 853 CD ARG A 54 5.970 11.831 -1.745 1.00 12.20 C ATOM 854 NE ARG A 54 5.198 12.884 -1.052 1.00 18.23 N ATOM 855 CZ ARG A 54 5.452 13.357 0.161 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.562 12.981 0.782 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.556 14.081 0.854 1.00 23.38 N ATOM 0 H ARG A 54 3.968 8.780 -3.546 1.00 8.53 H new ATOM 0 HA ARG A 54 6.651 9.894 -3.793 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.390 8.362 -1.423 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.950 9.160 -1.383 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.258 10.524 -1.731 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.201 10.479 -0.255 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.016 11.839 -1.438 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.954 11.974 -2.825 1.00 12.20 H new ATOM 0 HE ARG A 54 4.401 13.281 -1.550 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.208 12.336 0.327 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.770 13.337 1.715 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.642 14.284 0.449 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.790 14.427 1.785 1.00 23.38 H new ATOM 871 N THR A 55 7.988 7.473 -3.610 1.00 9.05 N ATOM 872 CA THR A 55 8.458 6.102 -3.801 1.00 9.03 C ATOM 873 C THR A 55 8.512 5.277 -2.548 1.00 8.15 C ATOM 874 O THR A 55 8.541 5.690 -1.386 1.00 5.91 O ATOM 875 CB THR A 55 9.777 6.006 -4.560 1.00 11.15 C ATOM 876 OG1 THR A 55 10.927 6.597 -3.900 1.00 11.95 O ATOM 877 CG2 THR A 55 9.638 6.615 -5.973 1.00 11.71 C ATOM 0 H THR A 55 8.710 8.187 -3.514 1.00 9.05 H new ATOM 0 HA THR A 55 7.681 5.666 -4.428 1.00 9.03 H new ATOM 0 HB THR A 55 9.979 4.936 -4.607 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.721 6.483 -4.463 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.590 6.537 -6.498 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.872 6.074 -6.528 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.354 7.664 -5.891 1.00 11.71 H new ATOM 885 N LEU A 56 8.522 3.979 -2.696 1.00 6.91 N ATOM 886 CA LEU A 56 8.783 3.040 -1.622 1.00 8.29 C ATOM 887 C LEU A 56 10.158 3.328 -0.993 1.00 8.05 C ATOM 888 O LEU A 56 10.270 3.358 0.213 1.00 10.17 O ATOM 889 CB LEU A 56 8.677 1.527 -2.090 1.00 6.60 C ATOM 890 CG LEU A 56 7.251 1.110 -2.427 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.100 -0.161 -3.258 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.381 1.061 -1.148 1.00 8.64 C ATOM 0 H LEU A 56 8.344 3.526 -3.592 1.00 6.91 H new ATOM 0 HA LEU A 56 8.007 3.182 -0.870 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.310 1.377 -2.964 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.063 0.880 -1.302 1.00 6.60 H new ATOM 0 HG LEU A 56 6.887 1.892 -3.093 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.042 -0.357 -3.434 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.610 -0.034 -4.213 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.540 -1.001 -2.721 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.366 0.761 -1.410 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.803 0.340 -0.448 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.360 2.047 -0.684 1.00 8.64 H new ATOM 904 N SER A 57 11.165 3.729 -1.768 1.00 8.92 N ATOM 905 CA SER A 57 12.440 4.256 -1.369 1.00 9.00 C ATOM 906 C SER A 57 12.322 5.493 -0.444 1.00 9.44 C ATOM 907 O SER A 57 13.017 5.570 0.565 1.00 10.91 O ATOM 908 CB SER A 57 13.382 4.594 -2.522 1.00 10.32 C ATOM 909 OG SER A 57 14.732 4.807 -2.069 1.00 13.59 O ATOM 0 H SER A 57 11.086 3.683 -2.784 1.00 8.92 H new ATOM 0 HA SER A 57 12.881 3.427 -0.815 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.368 3.784 -3.252 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.025 5.489 -3.032 1.00 10.32 H new ATOM 0 HG SER A 57 15.305 5.019 -2.835 1.00 13.59 H new ATOM 915 N ASP A 58 11.402 6.404 -0.795 1.00 9.11 N ATOM 916 CA ASP A 58 11.274 7.693 -0.108 1.00 7.91 C ATOM 917 C ASP A 58 10.722 7.618 1.326 1.00 9.12 C ATOM 918 O ASP A 58 11.013 8.479 2.207 1.00 8.61 O ATOM 919 CB ASP A 58 10.387 8.751 -0.866 1.00 8.41 C ATOM 920 CG ASP A 58 10.923 9.158 -2.172 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.084 9.581 -2.252 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.165 9.102 -3.224 1.00 11.70 O ATOM 0 H ASP A 58 10.734 6.269 -1.554 1.00 9.11 H new ATOM 0 HA ASP A 58 12.316 8.013 -0.086 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.389 8.337 -1.008 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.279 9.635 -0.238 1.00 8.41 H new ATOM 927 N TYR A 59 9.926 6.573 1.570 1.00 7.97 N ATOM 928 CA TYR A 59 9.332 6.261 2.845 1.00 8.45 C ATOM 929 C TYR A 59 10.161 5.158 3.515 1.00 10.98 C ATOM 930 O TYR A 59 9.717 4.653 4.544 1.00 12.95 O ATOM 931 CB TYR A 59 7.875 5.711 2.654 1.00 7.94 C ATOM 932 CG TYR A 59 6.994 6.865 2.467 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.861 7.927 3.372 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.099 6.787 1.394 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.774 8.828 3.213 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.121 7.765 1.239 1.00 6.52 C ATOM 937 CZ TYR A 59 4.934 8.777 2.150 1.00 6.76 C ATOM 938 OH TYR A 59 3.930 9.711 2.015 1.00 7.63 O ATOM 0 H TYR A 59 9.676 5.901 0.844 1.00 7.97 H new ATOM 0 HA TYR A 59 9.306 7.167 3.450 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.825 5.046 1.792 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.567 5.129 3.523 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.571 8.058 4.175 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.167 5.971 0.689 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.611 9.583 3.968 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.484 7.727 0.368 1.00 6.52 H new ATOM 0 HH TYR A 59 4.322 10.584 1.803 1.00 7.63 H new ATOM 948 N ASN A 60 11.337 4.792 3.029 1.00 12.38 N ATOM 949 CA ASN A 60 12.203 3.796 3.502 1.00 13.94 C ATOM 950 C ASN A 60 11.684 2.400 3.601 1.00 14.16 C ATOM 951 O ASN A 60 11.959 1.734 4.593 1.00 14.26 O ATOM 952 CB ASN A 60 12.825 4.188 4.903 1.00 19.23 C ATOM 953 CG ASN A 60 13.260 5.677 4.930 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.785 6.402 5.797 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.193 6.095 4.045 1.00 24.09 N ATOM 0 H ASN A 60 11.722 5.254 2.205 1.00 12.38 H new ATOM 0 HA ASN A 60 12.946 3.766 2.705 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.095 4.006 5.691 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.685 3.552 5.112 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.535 7.055 4.080 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.555 5.450 3.343 1.00 24.09 H new ATOM 962 N ILE A 61 11.090 1.836 2.557 1.00 11.08 N ATOM 963 CA ILE A 61 10.430 0.544 2.651 1.00 11.78 C ATOM 964 C ILE A 61 11.339 -0.412 1.927 1.00 13.74 C ATOM 965 O ILE A 61 11.574 -0.208 0.774 1.00 14.60 O ATOM 966 CB ILE A 61 9.001 0.558 2.111 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.149 1.399 3.075 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.540 -0.938 1.903 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.984 2.062 2.340 1.00 11.42 C ATOM 0 H ILE A 61 11.053 2.259 1.629 1.00 11.08 H new ATOM 0 HA ILE A 61 10.289 0.241 3.688 1.00 11.78 H new ATOM 0 HB ILE A 61 8.898 1.029 1.134 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.766 0.765 3.875 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.770 2.163 3.543 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.521 -0.954 1.517 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.205 -1.428 1.192 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.576 -1.466 2.856 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.397 2.651 3.045 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.371 2.714 1.557 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.352 1.295 1.893 1.00 11.42 H new ATOM 981 N GLN A 62 11.788 -1.484 2.550 1.00 13.97 N ATOM 982 CA GLN A 62 12.686 -2.501 2.072 1.00 15.52 C ATOM 983 C GLN A 62 12.009 -3.825 2.131 1.00 13.94 C ATOM 984 O GLN A 62 10.834 -4.011 2.529 1.00 12.15 O ATOM 985 CB GLN A 62 13.884 -2.521 3.084 1.00 19.53 C ATOM 986 CG GLN A 62 14.718 -1.213 3.068 1.00 26.38 C ATOM 987 CD GLN A 62 15.587 -1.124 4.360 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.546 -1.885 4.458 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.215 -0.300 5.380 1.00 32.71 N ATOM 0 H GLN A 62 11.496 -1.678 3.508 1.00 13.97 H new ATOM 0 HA GLN A 62 13.003 -2.304 1.048 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.499 -2.687 4.090 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.536 -3.363 2.850 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.358 -1.190 2.186 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.056 -0.350 3.004 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.414 0.321 5.268 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.738 -0.304 6.256 1.00 32.71 H new ATOM 998 N LYS A 63 12.737 -4.829 1.629 1.00 11.73 N ATOM 999 CA LYS A 63 12.176 -6.182 1.421 1.00 11.97 C ATOM 1000 C LYS A 63 11.791 -6.955 2.675 1.00 10.41 C ATOM 1001 O LYS A 63 12.455 -6.896 3.714 1.00 9.59 O ATOM 1002 CB LYS A 63 13.227 -7.020 0.649 1.00 13.73 C ATOM 1003 CG LYS A 63 14.498 -7.402 1.407 1.00 16.98 C ATOM 1004 CD LYS A 63 15.461 -8.119 0.492 1.00 20.19 C ATOM 1005 CE LYS A 63 16.821 -8.292 1.146 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.704 -9.183 2.368 1.00 25.97 N ATOM 0 H LYS A 63 13.716 -4.737 1.357 1.00 11.73 H new ATOM 0 HA LYS A 63 11.243 -6.027 0.880 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.746 -7.937 0.309 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.518 -6.463 -0.242 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.970 -6.507 1.813 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.246 -8.041 2.253 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.056 -9.096 0.228 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.570 -7.558 -0.436 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.522 -8.728 0.434 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.221 -7.320 1.433 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.651 -9.363 2.758 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.118 -8.712 3.086 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.263 -10.085 2.099 1.00 25.97 H new ATOM 1020 N GLU A 64 10.616 -7.648 2.614 1.00 10.04 N ATOM 1021 CA GLU A 64 10.107 -8.495 3.700 1.00 10.94 C ATOM 1022 C GLU A 64 9.383 -7.640 4.809 1.00 9.74 C ATOM 1023 O GLU A 64 9.164 -8.101 5.899 1.00 9.42 O ATOM 1024 CB GLU A 64 11.001 -9.546 4.367 1.00 18.31 C ATOM 1025 CG GLU A 64 11.803 -10.374 3.333 1.00 24.16 C ATOM 1026 CD GLU A 64 12.748 -11.384 3.903 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.732 -10.927 4.504 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.435 -12.585 3.834 1.00 32.61 O ATOM 0 H GLU A 64 10.003 -7.625 1.799 1.00 10.04 H new ATOM 0 HA GLU A 64 9.427 -9.121 3.123 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.693 -9.052 5.049 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.385 -10.216 4.967 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.097 -10.891 2.683 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.370 -9.686 2.706 1.00 24.16 H new ATOM 1035 N SER A 65 8.958 -6.431 4.397 1.00 6.85 N ATOM 1036 CA SER A 65 8.309 -5.488 5.261 1.00 6.90 C ATOM 1037 C SER A 65 6.832 -5.363 5.101 1.00 4.72 C ATOM 1038 O SER A 65 6.300 -5.710 4.053 1.00 3.91 O ATOM 1039 CB SER A 65 8.902 -4.083 4.985 1.00 7.28 C ATOM 1040 OG SER A 65 8.816 -3.150 6.059 1.00 10.56 O ATOM 0 H SER A 65 9.068 -6.099 3.439 1.00 6.85 H new ATOM 0 HA SER A 65 8.485 -5.866 6.268 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.951 -4.199 4.713 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.394 -3.659 4.119 1.00 7.28 H new ATOM 0 HG SER A 65 9.217 -2.299 5.786 1.00 10.56 H new ATOM 1046 N THR A 66 6.146 -4.852 6.124 1.00 4.48 N ATOM 1047 CA THR A 66 4.685 -4.884 6.178 1.00 3.80 C ATOM 1048 C THR A 66 4.124 -3.480 6.095 1.00 4.60 C ATOM 1049 O THR A 66 4.572 -2.595 6.846 1.00 5.33 O ATOM 1050 CB THR A 66 4.147 -5.593 7.432 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.582 -6.931 7.326 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.602 -5.621 7.532 1.00 3.40 C ATOM 0 H THR A 66 6.583 -4.408 6.932 1.00 4.48 H new ATOM 0 HA THR A 66 4.353 -5.465 5.317 1.00 3.80 H new ATOM 0 HB THR A 66 4.508 -5.056 8.309 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.269 -7.439 8.103 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.306 -6.139 8.444 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.220 -4.600 7.554 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.191 -6.144 6.668 1.00 3.40 H new ATOM 1060 N LEU A 67 3.093 -3.289 5.302 1.00 4.17 N ATOM 1061 CA LEU A 67 2.394 -2.019 5.087 1.00 3.85 C ATOM 1062 C LEU A 67 0.962 -2.309 5.554 1.00 3.80 C ATOM 1063 O LEU A 67 0.565 -3.464 5.321 1.00 5.54 O ATOM 1064 CB LEU A 67 2.389 -1.507 3.610 1.00 7.18 C ATOM 1065 CG LEU A 67 3.655 -1.648 2.760 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.276 -0.961 1.396 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.817 -0.831 3.319 1.00 11.66 C ATOM 0 H LEU A 67 2.690 -4.050 4.755 1.00 4.17 H new ATOM 0 HA LEU A 67 2.899 -1.219 5.629 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.585 -2.025 3.087 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.126 -0.449 3.632 1.00 7.18 H new ATOM 0 HG LEU A 67 3.956 -2.694 2.706 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.125 -1.011 0.715 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.424 -1.477 0.953 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.015 0.082 1.574 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.693 -0.962 2.684 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.542 0.223 3.344 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.048 -1.170 4.329 1.00 11.66 H new ATOM 1079 N HIS A 68 0.263 -1.354 6.183 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.133 -1.595 6.566 1.00 4.17 C ATOM 1081 C HIS A 68 -2.006 -0.983 5.466 1.00 5.32 C ATOM 1082 O HIS A 68 -1.620 0.026 4.841 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.473 -0.917 7.916 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.327 -1.814 9.071 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.133 -2.336 9.386 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.229 -2.295 9.997 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.279 -3.111 10.461 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.541 -3.155 10.855 1.00 16.30 N ATOM 0 H HIS A 68 0.628 -0.434 6.431 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.306 -2.665 6.681 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.825 -0.051 8.053 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.497 -0.546 7.880 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.280 -2.050 10.049 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.530 -3.636 10.948 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.929 -3.702 11.623 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.205 -1.548 5.326 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.105 -1.060 4.328 1.00 3.97 C ATOM 1098 C LEU A 69 -5.450 -0.708 4.976 1.00 5.07 C ATOM 1099 O LEU A 69 -6.027 -1.501 5.699 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.276 -2.240 3.334 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.377 -2.061 2.164 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.181 -0.906 1.191 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.558 -3.320 1.347 1.00 9.96 C ATOM 0 H LEU A 69 -3.554 -2.326 5.886 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.737 -0.161 3.833 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.311 -2.430 2.865 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.533 -3.131 3.907 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.265 -1.823 2.750 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.990 -0.904 0.461 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.185 0.036 1.739 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.227 -1.022 0.676 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.308 -3.148 0.575 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.611 -3.590 0.880 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.886 -4.131 1.997 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.983 0.490 4.727 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.326 0.825 5.259 1.00 6.26 C ATOM 1117 C VAL A 70 -8.205 1.324 4.155 1.00 9.22 C ATOM 1118 O VAL A 70 -7.715 1.913 3.190 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.271 1.884 6.375 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.253 1.355 7.417 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.857 3.280 5.926 1.00 8.54 C ATOM 0 H VAL A 70 -5.534 1.227 4.183 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.734 -0.091 5.687 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.280 2.012 6.767 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.170 2.067 8.238 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.593 0.394 7.803 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.279 1.231 6.944 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.849 3.951 6.785 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.860 3.240 5.487 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.565 3.649 5.184 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.523 1.065 4.180 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.309 1.352 2.981 1.00 16.06 C ATOM 1133 C LEU A 71 -11.331 2.390 3.327 1.00 18.09 C ATOM 1134 O LEU A 71 -11.933 2.371 4.355 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.028 0.138 2.404 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.048 -1.023 1.888 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.858 -2.078 1.177 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.904 -0.523 0.967 1.00 19.57 C ATOM 0 H LEU A 71 -10.039 0.680 4.971 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.609 1.692 2.218 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.691 -0.273 3.165 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.657 0.462 1.575 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.560 -1.435 2.772 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.196 -2.869 0.825 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.592 -2.498 1.865 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.373 -1.630 0.327 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.287 -1.368 0.662 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.330 -0.047 0.084 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.290 0.198 1.508 1.00 19.57 H new