USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 124:sc= 0.862 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.757 USER MOD Set 2.1: A 22 THR OG1 : rot -169:sc= 1.18 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.961 K(o=2.1,f=1.2) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 178:sc= 0.588 (180deg=-0.0122) USER MOD Set 3.2: A 12 THR OG1 : rot 140:sc= 0.374 USER MOD Set 4.1: A 7 THR OG1 : rot 180:sc= -0.006 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 178:sc= -0.0664 (180deg=-0.0803) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.02 (180deg=0.975) USER MOD Single : A 2 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.24) USER MOD Single : A 11 LYS NZ :NH3+ -147:sc= 1.05 (180deg=-0.0147!) USER MOD Single : A 14 THR OG1 : rot -67:sc= 0.0262 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0226 USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.13) USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.059) USER MOD Single : A 31 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.64) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 41 GLN : amide:sc= 1.16 K(o=1.2,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.836 USER MOD Single : A 60 ASN : amide:sc= -0.032 X(o=-0.032,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.00598 X(o=-0.006,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= 0.159 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.123 K(o=0.12,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.803 -7.066 -4.848 1.00 9.67 N ATOM 2 CA MET A 1 11.623 -7.446 -3.400 1.00 10.38 C ATOM 3 C MET A 1 10.221 -7.847 -3.022 1.00 9.62 C ATOM 4 O MET A 1 9.270 -7.540 -3.753 1.00 9.62 O ATOM 5 CB MET A 1 12.004 -6.328 -2.417 1.00 13.77 C ATOM 6 CG MET A 1 11.273 -5.001 -2.617 1.00 16.29 C ATOM 7 SD MET A 1 12.031 -3.705 -1.560 1.00 17.17 S ATOM 8 CE MET A 1 10.548 -2.694 -1.668 1.00 16.11 C ATOM 0 H1 MET A 1 12.774 -6.725 -4.999 1.00 9.67 H new ATOM 0 H2 MET A 1 11.631 -7.897 -5.449 1.00 9.67 H new ATOM 0 H3 MET A 1 11.129 -6.314 -5.096 1.00 9.67 H new ATOM 0 HA MET A 1 12.297 -8.299 -3.317 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.813 -6.679 -1.403 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.076 -6.148 -2.496 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.322 -4.703 -3.664 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.218 -5.116 -2.367 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.677 -1.793 -1.068 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.372 -2.416 -2.707 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.694 -3.259 -1.294 1.00 16.11 H new ATOM 20 N GLN A 2 10.005 -8.512 -1.854 1.00 9.27 N ATOM 21 CA GLN A 2 8.743 -8.899 -1.357 1.00 9.07 C ATOM 22 C GLN A 2 8.407 -7.929 -0.245 1.00 8.72 C ATOM 23 O GLN A 2 9.260 -7.533 0.556 1.00 8.22 O ATOM 24 CB GLN A 2 8.767 -10.265 -0.756 1.00 14.46 C ATOM 25 CG GLN A 2 8.766 -11.367 -1.890 1.00 17.01 C ATOM 26 CD GLN A 2 9.911 -11.414 -2.870 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.666 -11.415 -4.105 1.00 21.89 O ATOM 28 NE2 GLN A 2 11.181 -11.523 -2.436 1.00 19.49 N ATOM 0 H GLN A 2 10.770 -8.785 -1.237 1.00 9.27 H new ATOM 0 HA GLN A 2 8.024 -8.899 -2.176 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.653 -10.378 -0.131 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.900 -10.400 -0.109 1.00 14.46 H new ATOM 0 HG2 GLN A 2 8.712 -12.340 -1.402 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.847 -11.246 -2.464 1.00 17.01 H new ATOM 0 HE21 GLN A 2 11.380 -11.522 -1.436 1.00 19.49 H new ATOM 0 HE22 GLN A 2 11.944 -11.606 -3.108 1.00 19.49 H new ATOM 37 N ILE A 3 7.171 -7.533 -0.199 1.00 5.87 N ATOM 38 CA ILE A 3 6.629 -6.763 0.897 1.00 5.07 C ATOM 39 C ILE A 3 5.335 -7.371 1.400 1.00 4.01 C ATOM 40 O ILE A 3 4.749 -8.246 0.774 1.00 4.61 O ATOM 41 CB ILE A 3 6.351 -5.364 0.602 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.431 -5.225 -0.681 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.582 -4.474 0.391 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.719 -3.905 -0.678 1.00 10.83 C ATOM 0 H ILE A 3 6.492 -7.736 -0.933 1.00 5.87 H new ATOM 0 HA ILE A 3 7.423 -6.794 1.643 1.00 5.07 H new ATOM 0 HB ILE A 3 5.851 -5.010 1.503 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.038 -5.315 -1.582 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.704 -6.037 -0.704 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.261 -3.454 0.178 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.195 -4.481 1.292 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.166 -4.853 -0.448 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.092 -3.828 -1.566 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.096 -3.830 0.213 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.451 -3.097 -0.679 1.00 10.83 H new ATOM 56 N PHE A 4 4.787 -6.901 2.574 1.00 4.55 N ATOM 57 CA PHE A 4 3.600 -7.534 3.151 1.00 4.68 C ATOM 58 C PHE A 4 2.528 -6.519 3.295 1.00 5.30 C ATOM 59 O PHE A 4 2.792 -5.358 3.682 1.00 5.58 O ATOM 60 CB PHE A 4 3.780 -8.199 4.555 1.00 4.83 C ATOM 61 CG PHE A 4 4.956 -9.160 4.555 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.292 -10.030 3.507 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.679 -9.168 5.756 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.350 -10.930 3.723 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.724 -10.017 5.892 1.00 10.61 C ATOM 66 CZ PHE A 4 7.084 -10.910 4.876 1.00 8.90 C ATOM 0 H PHE A 4 5.153 -6.111 3.105 1.00 4.55 H new ATOM 0 HA PHE A 4 3.364 -8.337 2.453 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.936 -7.428 5.309 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.870 -8.733 4.828 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.757 -10.009 2.569 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.405 -8.505 6.563 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.589 -11.655 2.959 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.295 -10.005 6.809 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.928 -11.572 5.001 1.00 8.90 H new ATOM 76 N VAL A 5 1.250 -6.886 3.022 1.00 4.44 N ATOM 77 CA VAL A 5 0.129 -6.055 3.365 1.00 3.87 C ATOM 78 C VAL A 5 -0.882 -6.825 4.258 1.00 4.93 C ATOM 79 O VAL A 5 -1.356 -7.884 3.900 1.00 6.84 O ATOM 80 CB VAL A 5 -0.643 -5.429 2.173 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.549 -4.280 2.638 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.422 -4.970 1.113 1.00 9.13 C ATOM 0 H VAL A 5 0.997 -7.761 2.563 1.00 4.44 H new ATOM 0 HA VAL A 5 0.586 -5.223 3.901 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.313 -6.159 1.719 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.076 -3.862 1.780 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.273 -4.657 3.360 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.942 -3.504 3.104 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.085 -4.523 0.258 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.090 -4.236 1.563 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.001 -5.832 0.782 1.00 9.13 H new ATOM 92 N LYS A 6 -1.154 -6.208 5.452 1.00 6.04 N ATOM 93 CA LYS A 6 -2.049 -6.767 6.478 1.00 6.12 C ATOM 94 C LYS A 6 -3.343 -5.989 6.442 1.00 6.57 C ATOM 95 O LYS A 6 -3.378 -4.740 6.523 1.00 5.76 O ATOM 96 CB LYS A 6 -1.478 -6.725 7.920 1.00 7.45 C ATOM 97 CG LYS A 6 -0.322 -7.739 8.120 1.00 11.12 C ATOM 98 CD LYS A 6 0.329 -7.657 9.527 1.00 14.54 C ATOM 99 CE LYS A 6 1.532 -8.595 9.710 1.00 18.84 C ATOM 100 NZ LYS A 6 1.105 -10.005 9.648 1.00 20.55 N ATOM 0 H LYS A 6 -0.750 -5.309 5.714 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.186 -7.822 6.240 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.119 -5.719 8.138 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.275 -6.940 8.631 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.702 -8.748 7.961 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.442 -7.563 7.363 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.649 -6.631 9.710 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.423 -7.895 10.279 1.00 14.54 H new ATOM 0 HE2 LYS A 6 2.273 -8.400 8.935 1.00 18.84 H new ATOM 0 HE3 LYS A 6 2.012 -8.397 10.668 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.936 -10.624 9.740 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.440 -10.201 10.423 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.637 -10.186 8.737 1.00 20.55 H new ATOM 114 N THR A 7 -4.396 -6.653 6.220 1.00 7.41 N ATOM 115 CA THR A 7 -5.720 -6.107 6.163 1.00 7.48 C ATOM 116 C THR A 7 -6.336 -5.975 7.567 1.00 8.75 C ATOM 117 O THR A 7 -5.888 -6.425 8.604 1.00 8.58 O ATOM 118 CB THR A 7 -6.716 -6.810 5.206 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.198 -8.023 5.768 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.967 -7.231 3.884 1.00 9.17 C ATOM 0 H THR A 7 -4.378 -7.660 6.060 1.00 7.41 H new ATOM 0 HA THR A 7 -5.563 -5.122 5.723 1.00 7.48 H new ATOM 0 HB THR A 7 -7.532 -6.111 5.023 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.826 -8.445 5.145 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.667 -7.725 3.211 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.561 -6.344 3.398 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.154 -7.915 4.128 1.00 9.17 H new ATOM 128 N LEU A 8 -7.476 -5.237 7.591 1.00 9.84 N ATOM 129 CA LEU A 8 -8.233 -4.869 8.794 1.00 14.15 C ATOM 130 C LEU A 8 -8.817 -6.071 9.563 1.00 17.37 C ATOM 131 O LEU A 8 -8.625 -6.250 10.781 1.00 17.01 O ATOM 132 CB LEU A 8 -9.457 -3.944 8.641 1.00 16.63 C ATOM 133 CG LEU A 8 -10.279 -3.470 9.893 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.361 -2.626 10.804 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.494 -2.639 9.400 1.00 18.59 C ATOM 0 H LEU A 8 -7.900 -4.874 6.737 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.429 -4.342 9.308 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.115 -3.046 8.126 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.156 -4.448 7.973 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.645 -4.322 10.466 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.922 -2.292 11.677 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.514 -3.231 11.127 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.998 -1.759 10.252 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.076 -2.302 10.258 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.140 -1.774 8.839 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.120 -3.257 8.757 1.00 18.59 H new ATOM 147 N THR A 9 -9.423 -7.039 8.823 1.00 18.33 N ATOM 148 CA THR A 9 -9.841 -8.332 9.370 1.00 19.24 C ATOM 149 C THR A 9 -8.755 -9.151 9.819 1.00 19.48 C ATOM 150 O THR A 9 -8.849 -9.766 10.881 1.00 23.14 O ATOM 151 CB THR A 9 -10.736 -9.118 8.360 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.016 -9.288 7.151 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.055 -8.307 8.112 1.00 19.70 C ATOM 0 H THR A 9 -9.630 -6.931 7.830 1.00 18.33 H new ATOM 0 HA THR A 9 -10.430 -8.091 10.255 1.00 19.24 H new ATOM 0 HB THR A 9 -10.997 -10.099 8.757 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.567 -9.782 6.509 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.687 -8.847 7.408 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.587 -8.181 9.055 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.808 -7.328 7.701 1.00 19.70 H new ATOM 161 N GLY A 10 -7.660 -9.214 9.093 1.00 19.43 N ATOM 162 CA GLY A 10 -6.389 -9.613 9.714 1.00 18.74 C ATOM 163 C GLY A 10 -5.456 -10.452 8.839 1.00 17.62 C ATOM 164 O GLY A 10 -4.345 -10.720 9.266 1.00 19.74 O ATOM 0 H GLY A 10 -7.609 -9.003 8.096 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.857 -8.712 10.020 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.610 -10.176 10.621 1.00 18.74 H new ATOM 168 N LYS A 11 -5.919 -10.871 7.625 1.00 13.56 N ATOM 169 CA LYS A 11 -5.189 -11.621 6.638 1.00 11.91 C ATOM 170 C LYS A 11 -3.984 -10.859 6.238 1.00 10.18 C ATOM 171 O LYS A 11 -4.001 -9.621 6.253 1.00 9.10 O ATOM 172 CB LYS A 11 -5.895 -12.122 5.367 1.00 13.43 C ATOM 173 CG LYS A 11 -6.113 -11.105 4.308 1.00 16.69 C ATOM 174 CD LYS A 11 -6.818 -11.618 3.025 1.00 17.92 C ATOM 175 CE LYS A 11 -6.922 -10.730 1.847 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.174 -11.586 0.668 1.00 21.93 N ATOM 0 H LYS A 11 -6.871 -10.666 7.322 1.00 13.56 H new ATOM 0 HA LYS A 11 -4.989 -12.549 7.174 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -5.308 -12.938 4.946 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.862 -12.537 5.651 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.705 -10.291 4.726 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.147 -10.685 4.028 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.300 -12.523 2.707 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.830 -11.911 3.303 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.730 -10.011 1.979 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.004 -10.157 1.716 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.724 -11.165 -0.169 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.777 -12.533 0.835 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.199 -11.663 0.508 1.00 21.93 H new ATOM 190 N THR A 12 -2.920 -11.600 5.891 1.00 9.63 N ATOM 191 CA THR A 12 -1.746 -10.946 5.284 1.00 9.85 C ATOM 192 C THR A 12 -1.581 -11.403 3.854 1.00 11.66 C ATOM 193 O THR A 12 -1.518 -12.596 3.578 1.00 12.33 O ATOM 194 CB THR A 12 -0.457 -11.260 5.988 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.497 -11.107 7.421 1.00 10.91 O ATOM 196 CG2 THR A 12 0.823 -10.471 5.505 1.00 9.63 C ATOM 0 H THR A 12 -2.845 -12.610 6.012 1.00 9.63 H new ATOM 0 HA THR A 12 -1.938 -9.876 5.358 1.00 9.85 H new ATOM 0 HB THR A 12 -0.360 -12.308 5.706 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.002 -11.838 7.842 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.687 -10.787 6.090 1.00 9.63 H new ATOM 0 HG22 THR A 12 1.003 -10.680 4.450 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.664 -9.401 5.641 1.00 9.63 H new ATOM 204 N ILE A 13 -1.425 -10.474 2.969 1.00 10.42 N ATOM 205 CA ILE A 13 -0.954 -10.761 1.609 1.00 11.84 C ATOM 206 C ILE A 13 0.546 -10.394 1.524 1.00 10.55 C ATOM 207 O ILE A 13 1.070 -9.499 2.168 1.00 11.92 O ATOM 208 CB ILE A 13 -1.766 -10.012 0.570 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.026 -8.557 0.919 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.129 -10.750 0.309 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.807 -7.731 -0.074 1.00 16.46 C ATOM 0 H ILE A 13 -1.614 -9.487 3.146 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.084 -11.822 1.395 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.158 -10.006 -0.335 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.557 -8.529 1.871 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.063 -8.072 1.077 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.702 -10.202 -0.439 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -2.933 -11.759 -0.052 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.699 -10.801 1.237 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.917 -6.715 0.305 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.276 -7.708 -1.026 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.793 -8.173 -0.219 1.00 16.46 H new ATOM 223 N THR A 14 1.271 -11.046 0.620 1.00 9.39 N ATOM 224 CA THR A 14 2.664 -10.876 0.230 1.00 9.63 C ATOM 225 C THR A 14 2.754 -10.459 -1.220 1.00 11.20 C ATOM 226 O THR A 14 2.193 -11.155 -2.060 1.00 11.63 O ATOM 227 CB THR A 14 3.400 -12.161 0.385 1.00 10.38 C ATOM 228 OG1 THR A 14 3.335 -12.562 1.769 1.00 16.30 O ATOM 229 CG2 THR A 14 4.924 -11.966 -0.014 1.00 11.66 C ATOM 0 H THR A 14 0.842 -11.797 0.079 1.00 9.39 H new ATOM 0 HA THR A 14 3.102 -10.110 0.870 1.00 9.63 H new ATOM 0 HB THR A 14 2.951 -12.917 -0.260 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.843 -11.928 2.317 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.454 -12.911 0.103 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.989 -11.639 -1.052 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.376 -11.214 0.633 1.00 11.66 H new ATOM 237 N LEU A 15 3.429 -9.292 -1.522 1.00 8.29 N ATOM 238 CA LEU A 15 3.499 -8.670 -2.819 1.00 9.03 C ATOM 239 C LEU A 15 4.935 -8.472 -3.280 1.00 8.59 C ATOM 240 O LEU A 15 5.847 -8.104 -2.545 1.00 7.79 O ATOM 241 CB LEU A 15 2.739 -7.234 -2.823 1.00 11.08 C ATOM 242 CG LEU A 15 1.246 -7.367 -2.666 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.655 -5.973 -2.385 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.494 -8.091 -3.818 1.00 15.27 C ATOM 0 H LEU A 15 3.945 -8.771 -0.813 1.00 8.29 H new ATOM 0 HA LEU A 15 3.001 -9.348 -3.512 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.132 -6.617 -2.015 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.957 -6.714 -3.756 1.00 11.08 H new ATOM 0 HG LEU A 15 1.089 -8.039 -1.822 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.426 -6.053 -2.269 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.090 -5.571 -1.470 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.882 -5.307 -3.217 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.572 -8.125 -3.592 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.650 -7.549 -4.751 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.876 -9.107 -3.920 1.00 15.27 H new ATOM 256 N GLU A 16 5.178 -8.795 -4.558 1.00 11.04 N ATOM 257 CA GLU A 16 6.362 -8.473 -5.298 1.00 11.50 C ATOM 258 C GLU A 16 6.351 -7.010 -5.809 1.00 10.13 C ATOM 259 O GLU A 16 5.559 -6.553 -6.635 1.00 9.83 O ATOM 260 CB GLU A 16 6.567 -9.457 -6.523 1.00 17.22 C ATOM 261 CG GLU A 16 5.270 -9.723 -7.327 1.00 23.33 C ATOM 262 CD GLU A 16 5.475 -10.597 -8.545 1.00 26.99 C ATOM 263 OE1 GLU A 16 5.428 -11.844 -8.389 1.00 28.90 O ATOM 264 OE2 GLU A 16 5.680 -10.017 -9.611 1.00 28.86 O ATOM 0 H GLU A 16 4.503 -9.317 -5.116 1.00 11.04 H new ATOM 0 HA GLU A 16 7.195 -8.589 -4.604 1.00 11.50 H new ATOM 0 HB2 GLU A 16 7.320 -9.040 -7.192 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.958 -10.406 -6.155 1.00 17.22 H new ATOM 0 HG2 GLU A 16 4.538 -10.195 -6.672 1.00 23.33 H new ATOM 0 HG3 GLU A 16 4.847 -8.769 -7.643 1.00 23.33 H new ATOM 271 N VAL A 17 7.276 -6.203 -5.327 1.00 8.99 N ATOM 272 CA VAL A 17 7.456 -4.798 -5.685 1.00 8.85 C ATOM 273 C VAL A 17 8.952 -4.363 -5.806 1.00 8.04 C ATOM 274 O VAL A 17 9.889 -4.967 -5.289 1.00 8.99 O ATOM 275 CB VAL A 17 6.780 -3.763 -4.750 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.260 -3.945 -4.712 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.434 -3.750 -3.384 1.00 10.54 C ATOM 0 H VAL A 17 7.960 -6.520 -4.640 1.00 8.99 H new ATOM 0 HA VAL A 17 6.956 -4.778 -6.653 1.00 8.85 H new ATOM 0 HB VAL A 17 6.940 -2.767 -5.164 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.821 -3.202 -4.046 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.853 -3.819 -5.715 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.022 -4.944 -4.347 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.939 -3.014 -2.750 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.348 -4.737 -2.930 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.487 -3.489 -3.487 1.00 10.54 H new ATOM 287 N GLU A 18 9.237 -3.257 -6.486 1.00 7.29 N ATOM 288 CA GLU A 18 10.499 -2.612 -6.527 1.00 7.08 C ATOM 289 C GLU A 18 10.701 -1.349 -5.576 1.00 6.45 C ATOM 290 O GLU A 18 9.683 -0.700 -5.299 1.00 5.28 O ATOM 291 CB GLU A 18 11.008 -2.293 -7.964 1.00 10.28 C ATOM 292 CG GLU A 18 11.074 -3.590 -8.894 1.00 12.65 C ATOM 293 CD GLU A 18 12.167 -4.498 -8.381 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.315 -4.015 -8.180 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.826 -5.656 -8.148 1.00 14.33 O ATOM 0 H GLU A 18 8.536 -2.776 -7.049 1.00 7.29 H new ATOM 0 HA GLU A 18 11.128 -3.393 -6.099 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.351 -1.555 -8.423 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.999 -1.843 -7.903 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.116 -4.110 -8.886 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.273 -3.305 -9.927 1.00 12.65 H new ATOM 302 N PRO A 19 11.939 -0.907 -5.249 1.00 7.24 N ATOM 303 CA PRO A 19 12.281 0.320 -4.538 1.00 7.07 C ATOM 304 C PRO A 19 12.003 1.501 -5.460 1.00 6.65 C ATOM 305 O PRO A 19 11.858 2.620 -5.042 1.00 6.37 O ATOM 306 CB PRO A 19 13.705 0.196 -4.282 1.00 7.61 C ATOM 307 CG PRO A 19 13.953 -1.275 -4.151 1.00 8.16 C ATOM 308 CD PRO A 19 13.093 -1.827 -5.256 1.00 7.49 C ATOM 0 HA PRO A 19 11.715 0.472 -3.619 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.290 0.623 -5.096 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.989 0.726 -3.373 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.005 -1.527 -4.286 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.657 -1.655 -3.173 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.611 -1.822 -6.215 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.793 -2.857 -5.061 1.00 7.49 H new ATOM 316 N SER A 20 11.841 1.247 -6.799 1.00 6.80 N ATOM 317 CA SER A 20 11.354 2.227 -7.786 1.00 6.28 C ATOM 318 C SER A 20 9.906 2.236 -8.099 1.00 8.45 C ATOM 319 O SER A 20 9.476 2.887 -9.037 1.00 7.26 O ATOM 320 CB SER A 20 12.028 1.905 -9.094 1.00 8.57 C ATOM 321 OG SER A 20 11.914 0.512 -9.498 1.00 11.13 O ATOM 0 H SER A 20 12.052 0.339 -7.212 1.00 6.80 H new ATOM 0 HA SER A 20 11.575 3.193 -7.332 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.600 2.534 -9.875 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.084 2.164 -9.019 1.00 8.57 H new ATOM 0 HG SER A 20 12.373 0.381 -10.354 1.00 11.13 H new ATOM 327 N ASP A 21 9.056 1.476 -7.353 1.00 7.50 N ATOM 328 CA ASP A 21 7.669 1.483 -7.573 1.00 7.70 C ATOM 329 C ASP A 21 7.085 2.614 -6.753 1.00 7.08 C ATOM 330 O ASP A 21 7.825 3.201 -5.924 1.00 8.11 O ATOM 331 CB ASP A 21 7.119 0.082 -7.221 1.00 11.00 C ATOM 332 CG ASP A 21 7.331 -1.019 -8.280 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.463 -0.701 -9.476 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.167 -2.198 -7.869 1.00 14.36 O ATOM 0 H ASP A 21 9.358 0.861 -6.598 1.00 7.50 H new ATOM 0 HA ASP A 21 7.393 1.667 -8.611 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.583 -0.244 -6.290 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.050 0.172 -7.030 1.00 11.00 H new ATOM 339 N THR A 22 5.841 3.022 -6.960 1.00 5.37 N ATOM 340 CA THR A 22 5.278 4.198 -6.326 1.00 6.01 C ATOM 341 C THR A 22 4.251 3.625 -5.393 1.00 8.01 C ATOM 342 O THR A 22 3.794 2.493 -5.582 1.00 8.11 O ATOM 343 CB THR A 22 4.665 5.291 -7.222 1.00 8.92 C ATOM 344 OG1 THR A 22 3.568 4.758 -7.943 1.00 10.22 O ATOM 345 CG2 THR A 22 5.679 5.762 -8.201 1.00 9.65 C ATOM 0 H THR A 22 5.191 2.539 -7.580 1.00 5.37 H new ATOM 0 HA THR A 22 6.087 4.762 -5.862 1.00 6.01 H new ATOM 0 HB THR A 22 4.336 6.117 -6.592 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.291 5.395 -8.634 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.243 6.535 -8.833 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.537 6.171 -7.668 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.002 4.926 -8.821 1.00 9.65 H new ATOM 353 N ILE A 23 3.889 4.398 -4.308 1.00 8.32 N ATOM 354 CA ILE A 23 2.828 4.014 -3.438 1.00 9.92 C ATOM 355 C ILE A 23 1.534 3.818 -4.213 1.00 10.01 C ATOM 356 O ILE A 23 0.807 2.817 -4.027 1.00 8.71 O ATOM 357 CB ILE A 23 2.677 4.981 -2.276 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.993 5.147 -1.448 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.507 4.576 -1.415 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.730 3.938 -0.809 1.00 12.30 C ATOM 0 H ILE A 23 4.343 5.276 -4.057 1.00 8.32 H new ATOM 0 HA ILE A 23 3.083 3.050 -2.997 1.00 9.92 H new ATOM 0 HB ILE A 23 2.473 5.968 -2.691 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.712 5.643 -2.100 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.767 5.840 -0.637 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.407 5.275 -0.585 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.595 4.588 -2.012 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.672 3.572 -1.025 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.618 4.290 -0.283 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.065 3.437 -0.105 1.00 12.30 H new ATOM 0 HD13 ILE A 23 5.025 3.237 -1.590 1.00 12.30 H new ATOM 372 N GLU A 24 1.272 4.628 -5.295 1.00 9.54 N ATOM 373 CA GLU A 24 0.243 4.424 -6.317 1.00 11.81 C ATOM 374 C GLU A 24 0.266 3.103 -7.063 1.00 11.14 C ATOM 375 O GLU A 24 -0.782 2.477 -7.212 1.00 10.62 O ATOM 376 CB GLU A 24 0.231 5.537 -7.321 1.00 19.24 C ATOM 377 CG GLU A 24 -1.002 5.483 -8.260 1.00 27.76 C ATOM 378 CD GLU A 24 -1.004 6.726 -9.267 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.184 6.738 -10.177 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.835 7.630 -9.057 1.00 36.51 O ATOM 0 H GLU A 24 1.813 5.476 -5.464 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.669 4.410 -5.721 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.242 6.493 -6.798 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.141 5.491 -7.920 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.994 4.551 -8.825 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.917 5.488 -7.667 1.00 27.76 H new ATOM 387 N ASN A 25 1.525 2.635 -7.478 1.00 9.43 N ATOM 388 CA ASN A 25 1.712 1.355 -8.102 1.00 10.96 C ATOM 389 C ASN A 25 1.483 0.190 -7.145 1.00 9.68 C ATOM 390 O ASN A 25 1.256 -0.922 -7.632 1.00 9.33 O ATOM 391 CB ASN A 25 3.171 1.213 -8.697 1.00 16.78 C ATOM 392 CG ASN A 25 3.205 1.787 -10.092 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.288 1.039 -11.081 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.161 3.127 -10.233 1.00 24.70 N ATOM 0 H ASN A 25 2.387 3.169 -7.365 1.00 9.43 H new ATOM 0 HA ASN A 25 0.968 1.312 -8.897 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.887 1.734 -8.061 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.466 0.164 -8.717 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.196 3.543 -11.164 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.093 3.725 -9.409 1.00 24.70 H new ATOM 401 N VAL A 26 1.577 0.435 -5.809 1.00 6.52 N ATOM 402 CA VAL A 26 1.222 -0.543 -4.814 1.00 5.53 C ATOM 403 C VAL A 26 -0.310 -0.724 -4.740 1.00 4.42 C ATOM 404 O VAL A 26 -0.924 -1.798 -4.529 1.00 3.40 O ATOM 405 CB VAL A 26 1.690 -0.302 -3.393 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.345 -1.459 -2.480 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.217 -0.036 -3.364 1.00 8.12 C ATOM 0 H VAL A 26 1.903 1.321 -5.421 1.00 6.52 H new ATOM 0 HA VAL A 26 1.755 -1.423 -5.173 1.00 5.53 H new ATOM 0 HB VAL A 26 1.165 0.579 -3.023 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.699 -1.245 -1.471 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.264 -1.600 -2.463 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.823 -2.367 -2.847 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.537 0.135 -2.336 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.744 -0.899 -3.769 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.445 0.844 -3.966 1.00 8.12 H new ATOM 417 N LYS A 27 -1.043 0.393 -5.003 1.00 2.64 N ATOM 418 CA LYS A 27 -2.503 0.443 -5.000 1.00 4.14 C ATOM 419 C LYS A 27 -3.168 -0.200 -6.239 1.00 5.58 C ATOM 420 O LYS A 27 -4.161 -0.876 -6.125 1.00 4.11 O ATOM 421 CB LYS A 27 -3.065 1.876 -4.657 1.00 3.97 C ATOM 422 CG LYS A 27 -2.548 2.611 -3.363 1.00 7.45 C ATOM 423 CD LYS A 27 -3.074 4.041 -3.173 1.00 9.02 C ATOM 424 CE LYS A 27 -2.694 4.711 -1.860 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.352 6.035 -1.784 1.00 15.47 N ATOM 0 H LYS A 27 -0.613 1.291 -5.225 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.803 -0.203 -4.175 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.856 2.524 -5.509 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.149 1.794 -4.577 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.827 2.019 -2.491 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.459 2.642 -3.392 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.707 4.656 -3.994 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.161 4.023 -3.250 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.000 4.090 -1.018 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.612 4.825 -1.795 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.166 6.462 -0.854 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -2.976 6.653 -2.531 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.378 5.921 -1.913 1.00 15.47 H new ATOM 439 N ALA A 28 -2.559 0.018 -7.431 1.00 6.61 N ATOM 440 CA ALA A 28 -2.878 -0.686 -8.652 1.00 7.74 C ATOM 441 C ALA A 28 -2.750 -2.147 -8.473 1.00 9.17 C ATOM 442 O ALA A 28 -3.713 -2.932 -8.656 1.00 11.45 O ATOM 443 CB ALA A 28 -1.886 -0.195 -9.746 1.00 7.68 C ATOM 0 H ALA A 28 -1.818 0.709 -7.550 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.910 -0.483 -8.939 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.097 -0.707 -10.685 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.000 0.880 -9.885 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.864 -0.414 -9.436 1.00 7.68 H new ATOM 449 N LYS A 29 -1.585 -2.712 -8.056 1.00 8.96 N ATOM 450 CA LYS A 29 -1.396 -4.089 -7.702 1.00 7.90 C ATOM 451 C LYS A 29 -2.429 -4.718 -6.754 1.00 6.92 C ATOM 452 O LYS A 29 -2.902 -5.849 -7.035 1.00 6.87 O ATOM 453 CB LYS A 29 0.048 -4.257 -7.231 1.00 10.28 C ATOM 454 CG LYS A 29 0.479 -5.730 -7.148 1.00 14.94 C ATOM 455 CD LYS A 29 1.963 -5.897 -7.021 1.00 19.69 C ATOM 456 CE LYS A 29 2.729 -6.180 -8.325 1.00 22.63 C ATOM 457 NZ LYS A 29 2.925 -4.971 -9.083 1.00 24.98 N ATOM 0 H LYS A 29 -0.728 -2.167 -7.963 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.583 -4.674 -8.602 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.712 -3.727 -7.913 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.162 -3.794 -6.251 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.009 -6.198 -6.293 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.134 -6.255 -8.039 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.372 -4.992 -6.573 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.158 -6.713 -6.325 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.695 -6.628 -8.093 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.177 -6.904 -8.925 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.530 -5.171 -9.905 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.005 -4.613 -9.409 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.382 -4.255 -8.483 1.00 24.98 H new ATOM 471 N ILE A 30 -2.796 -3.958 -5.621 1.00 4.57 N ATOM 472 CA ILE A 30 -3.911 -4.432 -4.765 1.00 5.58 C ATOM 473 C ILE A 30 -5.243 -4.408 -5.485 1.00 7.26 C ATOM 474 O ILE A 30 -6.129 -5.172 -5.226 1.00 9.46 O ATOM 475 CB ILE A 30 -3.967 -3.650 -3.416 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.668 -3.996 -2.681 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.084 -4.140 -2.527 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.481 -3.216 -1.425 1.00 2.00 C ATOM 0 H ILE A 30 -2.353 -3.087 -5.327 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.706 -5.477 -4.530 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.112 -2.589 -3.622 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.664 -5.060 -2.445 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.823 -3.813 -3.344 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.087 -3.569 -1.599 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.039 -4.009 -3.037 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.934 -5.196 -2.303 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.543 -3.507 -0.952 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.454 -2.152 -1.658 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.308 -3.418 -0.745 1.00 2.00 H new ATOM 490 N GLN A 31 -5.433 -3.446 -6.457 1.00 7.06 N ATOM 491 CA GLN A 31 -6.723 -3.304 -7.176 1.00 8.67 C ATOM 492 C GLN A 31 -6.988 -4.595 -7.934 1.00 10.90 C ATOM 493 O GLN A 31 -8.138 -5.143 -7.859 1.00 9.63 O ATOM 494 CB GLN A 31 -6.705 -2.055 -8.156 1.00 9.12 C ATOM 495 CG GLN A 31 -8.056 -1.857 -8.968 1.00 10.76 C ATOM 496 CD GLN A 31 -8.049 -0.583 -9.841 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.893 0.339 -9.685 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.098 -0.577 -10.791 1.00 14.76 N ATOM 0 H GLN A 31 -4.717 -2.779 -6.744 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.525 -3.125 -6.460 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.505 -1.154 -7.577 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.882 -2.170 -8.861 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.223 -2.727 -9.604 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.891 -1.808 -8.269 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.444 -1.357 -10.863 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.030 0.207 -11.440 1.00 14.76 H new ATOM 507 N ASP A 32 -5.955 -5.151 -8.566 1.00 10.93 N ATOM 508 CA ASP A 32 -5.870 -6.360 -9.268 1.00 14.01 C ATOM 509 C ASP A 32 -6.107 -7.548 -8.352 1.00 14.04 C ATOM 510 O ASP A 32 -6.806 -8.511 -8.668 1.00 13.39 O ATOM 511 CB ASP A 32 -4.518 -6.390 -10.003 1.00 18.01 C ATOM 512 CG ASP A 32 -4.599 -7.403 -11.134 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.419 -7.225 -12.077 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.805 -8.372 -11.086 1.00 25.17 O ATOM 0 H ASP A 32 -5.055 -4.671 -8.577 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.660 -6.433 -10.016 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.281 -5.402 -10.397 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.719 -6.658 -9.312 1.00 18.01 H new ATOM 519 N LYS A 33 -5.463 -7.522 -7.190 1.00 14.22 N ATOM 520 CA LYS A 33 -5.579 -8.623 -6.191 1.00 14.00 C ATOM 521 C LYS A 33 -6.940 -8.683 -5.414 1.00 12.37 C ATOM 522 O LYS A 33 -7.554 -9.751 -5.258 1.00 12.17 O ATOM 523 CB LYS A 33 -4.331 -8.707 -5.223 1.00 18.62 C ATOM 524 CG LYS A 33 -4.392 -9.963 -4.358 1.00 24.00 C ATOM 525 CD LYS A 33 -3.161 -10.124 -3.480 1.00 27.61 C ATOM 526 CE LYS A 33 -1.924 -10.657 -4.248 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.056 -12.132 -4.656 1.00 30.06 N ATOM 0 H LYS A 33 -4.851 -6.759 -6.900 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.578 -9.526 -6.802 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.412 -8.709 -5.809 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.301 -7.823 -4.585 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -5.281 -9.924 -3.729 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.494 -10.838 -5.000 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.915 -9.161 -3.032 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.394 -10.806 -2.662 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.770 -10.052 -5.141 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.038 -10.537 -3.625 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.199 -12.429 -5.165 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.174 -12.718 -3.805 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.884 -12.248 -5.274 1.00 30.06 H new ATOM 541 N GLU A 34 -7.454 -7.535 -4.832 1.00 10.11 N ATOM 542 CA GLU A 34 -8.516 -7.532 -3.867 1.00 10.07 C ATOM 543 C GLU A 34 -9.736 -6.684 -4.264 1.00 9.32 C ATOM 544 O GLU A 34 -10.701 -6.555 -3.509 1.00 11.61 O ATOM 545 CB GLU A 34 -7.925 -6.913 -2.543 1.00 14.77 C ATOM 546 CG GLU A 34 -6.868 -7.826 -1.877 1.00 18.75 C ATOM 547 CD GLU A 34 -7.444 -9.040 -1.297 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.377 -8.896 -0.442 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.004 -10.173 -1.625 1.00 25.19 O ATOM 0 H GLU A 34 -7.107 -6.602 -5.053 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.867 -8.559 -3.768 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.474 -5.947 -2.768 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.736 -6.730 -1.839 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.118 -8.104 -2.618 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.353 -7.266 -1.096 1.00 18.75 H new ATOM 556 N GLY A 35 -9.790 -6.054 -5.416 1.00 7.22 N ATOM 557 CA GLY A 35 -10.953 -5.363 -5.926 1.00 6.29 C ATOM 558 C GLY A 35 -11.172 -3.907 -5.498 1.00 6.93 C ATOM 559 O GLY A 35 -12.057 -3.220 -6.039 1.00 7.41 O ATOM 0 H GLY A 35 -8.992 -6.007 -6.049 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.905 -5.387 -7.015 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.835 -5.933 -5.633 1.00 6.29 H new ATOM 563 N ILE A 36 -10.321 -3.337 -4.585 1.00 5.86 N ATOM 564 CA ILE A 36 -10.516 -1.999 -3.994 1.00 6.07 C ATOM 565 C ILE A 36 -9.788 -0.980 -4.917 1.00 6.36 C ATOM 566 O ILE A 36 -8.560 -1.037 -5.011 1.00 6.18 O ATOM 567 CB ILE A 36 -10.010 -1.887 -2.615 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.613 -3.007 -1.655 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.271 -0.505 -2.016 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.852 -3.182 -0.386 1.00 9.49 C ATOM 0 H ILE A 36 -9.481 -3.807 -4.247 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.586 -1.800 -3.929 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.933 -2.038 -2.685 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.645 -2.751 -1.417 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.635 -3.957 -2.189 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.881 -0.470 -0.999 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.775 0.254 -2.622 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.344 -0.312 -2.000 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.321 -3.960 0.215 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.825 -3.469 -0.614 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.852 -2.245 0.170 1.00 9.49 H new ATOM 582 N PRO A 37 -10.363 -0.014 -5.663 1.00 8.65 N ATOM 583 CA PRO A 37 -9.644 1.034 -6.394 1.00 9.18 C ATOM 584 C PRO A 37 -8.592 1.870 -5.701 1.00 9.85 C ATOM 585 O PRO A 37 -8.827 2.106 -4.495 1.00 8.51 O ATOM 586 CB PRO A 37 -10.788 1.854 -7.043 1.00 11.42 C ATOM 587 CG PRO A 37 -12.021 0.988 -7.173 1.00 9.27 C ATOM 588 CD PRO A 37 -11.826 0.187 -5.861 1.00 8.33 C ATOM 0 HA PRO A 37 -8.954 0.558 -7.091 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.010 2.732 -6.436 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.479 2.215 -8.024 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.948 1.561 -7.193 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.014 0.361 -8.065 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.255 0.727 -5.017 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.339 -0.773 -5.920 1.00 8.33 H new ATOM 596 N PRO A 38 -7.506 2.363 -6.309 1.00 8.71 N ATOM 597 CA PRO A 38 -6.487 3.302 -5.626 1.00 9.08 C ATOM 598 C PRO A 38 -7.088 4.465 -4.854 1.00 9.28 C ATOM 599 O PRO A 38 -6.773 4.699 -3.682 1.00 6.50 O ATOM 600 CB PRO A 38 -5.590 3.733 -6.744 1.00 10.31 C ATOM 601 CG PRO A 38 -5.678 2.589 -7.777 1.00 10.81 C ATOM 602 CD PRO A 38 -7.075 2.054 -7.656 1.00 12.00 C ATOM 0 HA PRO A 38 -5.954 2.782 -4.830 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.918 4.680 -7.173 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.566 3.877 -6.398 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.482 2.953 -8.785 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.940 1.814 -7.569 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.734 2.515 -8.392 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.098 0.979 -7.836 1.00 12.00 H new ATOM 610 N ASP A 39 -8.113 5.118 -5.409 1.00 11.20 N ATOM 611 CA ASP A 39 -8.773 6.190 -4.726 1.00 14.96 C ATOM 612 C ASP A 39 -9.595 5.798 -3.517 1.00 13.99 C ATOM 613 O ASP A 39 -9.947 6.630 -2.714 1.00 13.75 O ATOM 614 CB ASP A 39 -9.702 6.954 -5.722 1.00 24.16 C ATOM 615 CG ASP A 39 -8.966 7.663 -6.805 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.005 8.416 -6.610 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.416 7.532 -7.980 1.00 35.55 O ATOM 0 H ASP A 39 -8.491 4.908 -6.333 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.961 6.811 -4.347 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.398 6.246 -6.172 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.298 7.678 -5.166 1.00 24.16 H new ATOM 622 N GLN A 40 -9.928 4.520 -3.331 1.00 11.60 N ATOM 623 CA GLN A 40 -10.554 3.997 -2.177 1.00 10.76 C ATOM 624 C GLN A 40 -9.626 3.191 -1.266 1.00 8.01 C ATOM 625 O GLN A 40 -10.070 2.531 -0.340 1.00 8.96 O ATOM 626 CB GLN A 40 -11.784 3.179 -2.655 1.00 11.14 C ATOM 627 CG GLN A 40 -12.808 4.135 -3.302 1.00 14.85 C ATOM 628 CD GLN A 40 -14.094 3.338 -3.695 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.472 3.205 -4.846 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.858 2.949 -2.613 1.00 18.16 N ATOM 0 H GLN A 40 -9.746 3.806 -4.036 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.865 4.823 -1.538 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.474 2.419 -3.372 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.238 2.656 -1.813 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.062 4.936 -2.608 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.375 4.605 -4.185 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.503 3.078 -1.665 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.777 2.532 -2.761 1.00 18.16 H new ATOM 639 N GLN A 41 -8.334 3.325 -1.524 1.00 6.52 N ATOM 640 CA GLN A 41 -7.311 2.716 -0.673 1.00 3.87 C ATOM 641 C GLN A 41 -6.515 3.781 0.062 1.00 4.79 C ATOM 642 O GLN A 41 -6.101 4.781 -0.509 1.00 6.34 O ATOM 643 CB GLN A 41 -6.309 1.907 -1.455 1.00 4.20 C ATOM 644 CG GLN A 41 -6.889 0.637 -2.041 1.00 3.20 C ATOM 645 CD GLN A 41 -5.764 -0.127 -2.774 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.770 -0.461 -2.175 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.027 -0.510 -4.052 1.00 7.13 N ATOM 0 H GLN A 41 -7.964 3.850 -2.316 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.857 2.070 0.014 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.908 2.521 -2.262 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.473 1.650 -0.804 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.316 0.017 -1.252 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.698 0.874 -2.732 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.883 -0.199 -4.512 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.369 -1.108 -4.551 1.00 7.13 H new ATOM 656 N ARG A 42 -6.143 3.569 1.347 1.00 5.73 N ATOM 657 CA ARG A 42 -4.920 4.079 1.963 1.00 6.97 C ATOM 658 C ARG A 42 -4.083 2.916 2.447 1.00 7.15 C ATOM 659 O ARG A 42 -4.531 1.818 2.723 1.00 7.33 O ATOM 660 CB ARG A 42 -5.095 5.134 3.092 1.00 13.23 C ATOM 661 CG ARG A 42 -5.805 6.454 2.768 1.00 21.27 C ATOM 662 CD ARG A 42 -5.643 7.488 3.921 1.00 26.14 C ATOM 663 NE ARG A 42 -5.874 8.836 3.344 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.896 9.644 3.601 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.984 9.306 4.315 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.913 10.880 3.149 1.00 36.39 N ATOM 0 H ARG A 42 -6.711 3.021 1.993 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.418 4.636 1.172 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.640 4.658 3.907 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.103 5.378 3.472 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.399 6.870 1.846 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.864 6.265 2.594 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.355 7.286 4.721 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.646 7.423 4.358 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.176 9.176 2.682 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.067 8.367 4.705 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.727 9.988 4.467 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.133 11.230 2.592 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.706 11.488 3.355 1.00 36.39 H new ATOM 680 N LEU A 43 -2.772 3.135 2.506 1.00 4.65 N ATOM 681 CA LEU A 43 -1.780 2.173 2.978 1.00 3.51 C ATOM 682 C LEU A 43 -1.102 2.799 4.124 1.00 5.56 C ATOM 683 O LEU A 43 -0.378 3.801 3.982 1.00 4.19 O ATOM 684 CB LEU A 43 -0.805 1.806 1.806 1.00 3.74 C ATOM 685 CG LEU A 43 -1.421 0.748 0.860 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.786 0.640 -0.523 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.435 -0.684 1.542 1.00 6.41 C ATOM 0 H LEU A 43 -2.356 4.020 2.216 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.226 1.232 3.301 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.563 2.705 1.239 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.131 1.427 2.216 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.434 1.112 0.690 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.297 -0.132 -1.099 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.874 1.596 -1.039 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.267 0.378 -0.420 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.873 -1.409 0.856 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.415 -0.982 1.783 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.027 -0.646 2.456 1.00 6.41 H new ATOM 699 N ILE A 44 -1.269 2.300 5.320 1.00 4.58 N ATOM 700 CA ILE A 44 -0.508 2.796 6.433 1.00 5.55 C ATOM 701 C ILE A 44 0.808 2.057 6.448 1.00 5.46 C ATOM 702 O ILE A 44 0.866 0.833 6.370 1.00 6.04 O ATOM 703 CB ILE A 44 -1.292 2.882 7.705 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.403 3.946 7.481 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.326 3.268 8.845 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.183 4.355 8.732 1.00 13.90 C ATOM 0 H ILE A 44 -1.924 1.552 5.547 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.261 3.851 6.317 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.761 1.937 7.980 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.947 4.837 7.050 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.108 3.561 6.744 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.878 3.336 9.782 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.451 2.509 8.936 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.132 4.232 8.623 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.932 5.100 8.466 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.676 3.480 9.156 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.497 4.776 9.467 1.00 13.90 H new ATOM 718 N PHE A 45 1.935 2.797 6.496 1.00 6.75 N ATOM 719 CA PHE A 45 3.239 2.312 6.777 1.00 4.70 C ATOM 720 C PHE A 45 3.825 3.319 7.777 1.00 6.34 C ATOM 721 O PHE A 45 3.957 4.482 7.431 1.00 5.45 O ATOM 722 CB PHE A 45 4.076 2.234 5.481 1.00 5.51 C ATOM 723 CG PHE A 45 5.528 2.081 5.704 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.140 0.880 5.967 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.307 3.196 5.545 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.519 0.761 6.087 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.693 3.135 5.709 1.00 6.64 C ATOM 728 CZ PHE A 45 8.324 1.929 6.000 1.00 6.84 C ATOM 0 H PHE A 45 1.924 3.803 6.325 1.00 6.75 H new ATOM 0 HA PHE A 45 3.234 1.302 7.188 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.722 1.394 4.883 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.903 3.137 4.896 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.528 -0.002 6.085 1.00 6.86 H new ATOM 0 HD2 PHE A 45 5.843 4.137 5.289 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.973 -0.206 6.244 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.282 4.035 5.609 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.392 1.882 6.155 1.00 6.84 H new ATOM 738 N ALA A 46 4.178 2.798 8.988 1.00 6.53 N ATOM 739 CA ALA A 46 5.075 3.395 9.960 1.00 7.15 C ATOM 740 C ALA A 46 4.505 4.532 10.699 1.00 9.00 C ATOM 741 O ALA A 46 5.139 5.480 11.008 1.00 11.15 O ATOM 742 CB ALA A 46 6.358 3.783 9.206 1.00 8.99 C ATOM 0 H ALA A 46 3.812 1.901 9.307 1.00 6.53 H new ATOM 0 HA ALA A 46 5.279 2.664 10.743 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.065 4.238 9.900 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.805 2.892 8.765 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.115 4.495 8.417 1.00 8.99 H new ATOM 748 N GLY A 47 3.193 4.469 10.954 1.00 9.35 N ATOM 749 CA GLY A 47 2.362 5.510 11.438 1.00 11.68 C ATOM 750 C GLY A 47 2.095 6.690 10.457 1.00 11.14 C ATOM 751 O GLY A 47 1.710 7.776 10.888 1.00 13.93 O ATOM 0 H GLY A 47 2.669 3.606 10.806 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.403 5.078 11.723 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.812 5.914 12.345 1.00 11.68 H new ATOM 755 N LYS A 48 2.275 6.427 9.145 1.00 10.47 N ATOM 756 CA LYS A 48 2.097 7.353 8.084 1.00 8.82 C ATOM 757 C LYS A 48 1.050 6.853 7.126 1.00 7.68 C ATOM 758 O LYS A 48 0.968 5.679 6.908 1.00 6.47 O ATOM 759 CB LYS A 48 3.354 7.592 7.267 1.00 9.74 C ATOM 760 CG LYS A 48 4.531 8.228 8.033 1.00 14.14 C ATOM 761 CD LYS A 48 5.727 8.285 7.143 1.00 16.32 C ATOM 762 CE LYS A 48 7.005 8.757 7.829 1.00 20.04 C ATOM 763 NZ LYS A 48 7.101 10.235 8.160 1.00 23.92 N ATOM 0 H LYS A 48 2.563 5.506 8.815 1.00 10.47 H new ATOM 0 HA LYS A 48 1.806 8.286 8.566 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.685 6.639 6.854 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.102 8.235 6.424 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.263 9.231 8.366 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.756 7.645 8.926 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.900 7.294 6.724 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.511 8.951 6.308 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.121 8.194 8.755 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.849 8.497 7.190 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.013 10.429 8.622 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.031 10.792 7.285 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.325 10.498 8.801 1.00 23.92 H new ATOM 777 N GLN A 49 0.255 7.734 6.566 1.00 8.89 N ATOM 778 CA GLN A 49 -0.769 7.409 5.618 1.00 7.18 C ATOM 779 C GLN A 49 -0.334 7.518 4.151 1.00 8.23 C ATOM 780 O GLN A 49 -1.082 7.118 3.266 1.00 9.70 O ATOM 781 CB GLN A 49 -1.969 8.293 5.913 1.00 11.67 C ATOM 782 CG GLN A 49 -2.799 7.982 7.186 1.00 15.82 C ATOM 783 CD GLN A 49 -4.081 8.861 7.172 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.226 8.370 7.302 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.899 10.174 6.996 1.00 20.67 N ATOM 0 H GLN A 49 0.311 8.732 6.770 1.00 8.89 H new ATOM 0 HA GLN A 49 -1.019 6.355 5.738 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.617 9.322 5.985 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.640 8.245 5.055 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.066 6.925 7.215 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.210 8.187 8.080 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.956 10.549 6.893 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.703 10.801 6.965 1.00 20.67 H new ATOM 794 N LEU A 50 0.847 8.003 3.929 1.00 6.51 N ATOM 795 CA LEU A 50 1.581 8.127 2.677 1.00 7.41 C ATOM 796 C LEU A 50 0.892 9.029 1.570 1.00 8.27 C ATOM 797 O LEU A 50 -0.309 9.221 1.528 1.00 8.34 O ATOM 798 CB LEU A 50 1.989 6.736 2.073 1.00 7.13 C ATOM 799 CG LEU A 50 2.492 5.665 3.014 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.441 4.314 2.286 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.854 5.983 3.536 1.00 9.11 C ATOM 0 H LEU A 50 1.398 8.369 4.705 1.00 6.51 H new ATOM 0 HA LEU A 50 2.483 8.661 2.974 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.123 6.335 1.546 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.763 6.912 1.326 1.00 7.13 H new ATOM 0 HG LEU A 50 1.849 5.616 3.893 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.801 3.529 2.951 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.414 4.098 1.992 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.072 4.355 1.398 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.180 5.190 4.209 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.553 6.063 2.704 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.824 6.928 4.078 1.00 9.11 H new ATOM 813 N GLU A 51 1.719 9.544 0.627 1.00 9.43 N ATOM 814 CA GLU A 51 1.296 10.314 -0.555 1.00 11.90 C ATOM 815 C GLU A 51 1.581 9.512 -1.835 1.00 11.49 C ATOM 816 O GLU A 51 2.588 8.761 -1.904 1.00 9.88 O ATOM 817 CB GLU A 51 2.117 11.596 -0.730 1.00 16.56 C ATOM 818 CG GLU A 51 1.929 12.545 0.446 1.00 26.06 C ATOM 819 CD GLU A 51 2.924 13.720 0.298 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.859 14.389 -0.733 1.00 33.44 O ATOM 821 OE2 GLU A 51 3.807 13.922 1.132 1.00 32.13 O ATOM 0 H GLU A 51 2.731 9.427 0.676 1.00 9.43 H new ATOM 0 HA GLU A 51 0.239 10.532 -0.404 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.172 11.342 -0.829 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.821 12.095 -1.653 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.905 12.918 0.471 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.100 12.021 1.386 1.00 26.06 H new ATOM 828 N ASP A 52 0.688 9.572 -2.816 1.00 12.71 N ATOM 829 CA ASP A 52 0.562 8.641 -3.978 1.00 16.56 C ATOM 830 C ASP A 52 1.717 8.664 -4.937 1.00 15.83 C ATOM 831 O ASP A 52 2.272 7.647 -5.326 1.00 17.21 O ATOM 832 CB ASP A 52 -0.733 8.975 -4.768 1.00 21.05 C ATOM 833 CG ASP A 52 -1.946 8.804 -3.912 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.217 7.690 -3.488 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.608 9.843 -3.561 1.00 28.37 O ATOM 0 H ASP A 52 -0.018 10.308 -2.842 1.00 12.71 H new ATOM 0 HA ASP A 52 0.539 7.641 -3.545 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.685 10.000 -5.134 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.807 8.327 -5.642 1.00 21.05 H new ATOM 840 N GLY A 53 2.223 9.868 -5.280 1.00 15.00 N ATOM 841 CA GLY A 53 3.131 10.052 -6.353 1.00 11.77 C ATOM 842 C GLY A 53 4.623 9.965 -5.949 1.00 11.10 C ATOM 843 O GLY A 53 5.450 10.518 -6.636 1.00 11.25 O ATOM 0 H GLY A 53 1.987 10.731 -4.791 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.929 9.301 -7.117 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.946 11.026 -6.807 1.00 11.77 H new ATOM 847 N ARG A 54 4.994 9.218 -4.887 1.00 8.53 N ATOM 848 CA ARG A 54 6.310 9.165 -4.394 1.00 9.05 C ATOM 849 C ARG A 54 6.815 7.758 -4.384 1.00 8.96 C ATOM 850 O ARG A 54 5.973 6.858 -4.292 1.00 11.60 O ATOM 851 CB ARG A 54 6.460 9.674 -2.927 1.00 7.97 C ATOM 852 CG ARG A 54 5.991 11.094 -2.615 1.00 9.62 C ATOM 853 CD ARG A 54 6.455 11.647 -1.218 1.00 12.20 C ATOM 854 NE ARG A 54 5.828 13.018 -1.033 1.00 18.23 N ATOM 855 CZ ARG A 54 6.059 14.122 -1.772 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.059 14.239 -2.601 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.249 15.160 -1.570 1.00 23.38 N ATOM 0 H ARG A 54 4.341 8.635 -4.364 1.00 8.53 H new ATOM 0 HA ARG A 54 6.874 9.814 -5.064 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.913 8.990 -2.278 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.512 9.601 -2.653 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.356 11.762 -3.395 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.902 11.120 -2.657 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.146 10.974 -0.418 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.542 11.715 -1.175 1.00 12.20 H new ATOM 0 HE ARG A 54 5.161 13.114 -0.268 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.718 13.469 -2.717 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.182 15.100 -3.133 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.498 15.095 -0.883 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.380 16.020 -2.103 1.00 23.38 H new ATOM 871 N THR A 55 8.106 7.451 -4.454 1.00 9.05 N ATOM 872 CA THR A 55 8.567 6.056 -4.553 1.00 9.03 C ATOM 873 C THR A 55 8.670 5.328 -3.258 1.00 8.15 C ATOM 874 O THR A 55 8.882 5.973 -2.200 1.00 5.91 O ATOM 875 CB THR A 55 9.896 5.981 -5.310 1.00 11.15 C ATOM 876 OG1 THR A 55 10.845 6.861 -4.758 1.00 11.95 O ATOM 877 CG2 THR A 55 9.720 6.310 -6.822 1.00 11.71 C ATOM 0 H THR A 55 8.856 8.142 -4.445 1.00 9.05 H new ATOM 0 HA THR A 55 7.783 5.542 -5.109 1.00 9.03 H new ATOM 0 HB THR A 55 10.251 4.955 -5.212 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.651 6.360 -4.511 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.686 6.246 -7.323 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.030 5.596 -7.272 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.321 7.319 -6.931 1.00 11.71 H new ATOM 885 N LEU A 56 8.742 3.973 -3.236 1.00 6.91 N ATOM 886 CA LEU A 56 8.994 3.163 -2.043 1.00 8.29 C ATOM 887 C LEU A 56 10.262 3.529 -1.348 1.00 8.05 C ATOM 888 O LEU A 56 10.272 3.630 -0.125 1.00 10.17 O ATOM 889 CB LEU A 56 8.990 1.714 -2.339 1.00 6.60 C ATOM 890 CG LEU A 56 7.584 1.061 -2.282 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.607 1.451 -3.386 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.625 -0.451 -2.220 1.00 8.64 C ATOM 0 H LEU A 56 8.621 3.409 -4.077 1.00 6.91 H new ATOM 0 HA LEU A 56 8.166 3.385 -1.370 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.413 1.555 -3.331 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.644 1.207 -1.629 1.00 6.60 H new ATOM 0 HG LEU A 56 7.205 1.478 -1.349 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.662 0.930 -3.236 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.436 2.527 -3.357 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.024 1.175 -4.355 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.608 -0.841 -2.182 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.129 -0.838 -3.105 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.167 -0.764 -1.328 1.00 8.64 H new ATOM 904 N SER A 57 11.295 3.807 -2.214 1.00 8.92 N ATOM 905 CA SER A 57 12.639 4.258 -1.826 1.00 9.00 C ATOM 906 C SER A 57 12.625 5.605 -1.136 1.00 9.44 C ATOM 907 O SER A 57 13.461 5.797 -0.259 1.00 10.91 O ATOM 908 CB SER A 57 13.625 4.427 -3.007 1.00 10.32 C ATOM 909 OG SER A 57 13.145 5.340 -3.971 1.00 13.59 O ATOM 0 H SER A 57 11.191 3.714 -3.224 1.00 8.92 H new ATOM 0 HA SER A 57 12.971 3.457 -1.165 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.588 4.772 -2.629 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.796 3.459 -3.478 1.00 10.32 H new ATOM 0 HG SER A 57 13.796 5.420 -4.699 1.00 13.59 H new ATOM 915 N ASP A 58 11.710 6.563 -1.456 1.00 9.11 N ATOM 916 CA ASP A 58 11.669 7.831 -0.835 1.00 7.91 C ATOM 917 C ASP A 58 11.018 7.748 0.546 1.00 9.12 C ATOM 918 O ASP A 58 11.293 8.529 1.481 1.00 8.61 O ATOM 919 CB ASP A 58 10.907 8.861 -1.792 1.00 8.41 C ATOM 920 CG ASP A 58 11.218 10.293 -1.386 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.414 10.692 -1.612 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.288 11.051 -0.930 1.00 10.05 O ATOM 0 H ASP A 58 10.990 6.432 -2.167 1.00 9.11 H new ATOM 0 HA ASP A 58 12.686 8.190 -0.678 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.208 8.696 -2.827 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.832 8.687 -1.741 1.00 8.41 H new ATOM 927 N TYR A 59 10.173 6.728 0.780 1.00 7.97 N ATOM 928 CA TYR A 59 9.623 6.505 2.105 1.00 8.45 C ATOM 929 C TYR A 59 10.364 5.532 2.977 1.00 10.98 C ATOM 930 O TYR A 59 10.044 5.407 4.124 1.00 12.95 O ATOM 931 CB TYR A 59 8.153 5.891 1.857 1.00 7.94 C ATOM 932 CG TYR A 59 7.106 6.959 1.859 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.801 7.746 2.978 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.370 7.151 0.688 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.948 8.898 2.856 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.441 8.235 0.510 1.00 6.52 C ATOM 937 CZ TYR A 59 5.282 9.120 1.607 1.00 6.76 C ATOM 938 OH TYR A 59 4.309 10.064 1.433 1.00 7.63 O ATOM 0 H TYR A 59 9.867 6.060 0.072 1.00 7.97 H new ATOM 0 HA TYR A 59 9.666 7.457 2.634 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.134 5.363 0.904 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.928 5.158 2.632 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.211 7.485 3.942 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.505 6.452 -0.124 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.813 9.578 3.684 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.893 8.368 -0.411 1.00 6.52 H new ATOM 0 HH TYR A 59 4.724 10.944 1.317 1.00 7.63 H new ATOM 948 N ASN A 60 11.422 4.894 2.493 1.00 12.38 N ATOM 949 CA ASN A 60 12.211 3.968 3.237 1.00 13.94 C ATOM 950 C ASN A 60 11.537 2.665 3.506 1.00 14.16 C ATOM 951 O ASN A 60 11.906 1.946 4.406 1.00 14.26 O ATOM 952 CB ASN A 60 12.878 4.566 4.533 1.00 19.23 C ATOM 953 CG ASN A 60 13.663 5.819 4.178 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.287 6.928 4.496 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.656 5.660 3.312 1.00 24.09 N ATOM 0 H ASN A 60 11.751 5.024 1.536 1.00 12.38 H new ATOM 0 HA ASN A 60 13.034 3.748 2.557 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.112 4.803 5.271 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.540 3.828 4.986 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.113 6.476 2.905 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.962 4.722 3.054 1.00 24.09 H new ATOM 962 N ILE A 61 10.557 2.213 2.618 1.00 11.08 N ATOM 963 CA ILE A 61 10.003 0.890 2.495 1.00 11.78 C ATOM 964 C ILE A 61 11.088 -0.032 1.964 1.00 13.74 C ATOM 965 O ILE A 61 11.975 0.377 1.178 1.00 14.60 O ATOM 966 CB ILE A 61 8.648 0.882 1.766 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.671 1.953 2.422 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.003 -0.521 1.749 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.339 2.213 1.678 1.00 11.42 C ATOM 0 H ILE A 61 10.138 2.852 1.943 1.00 11.08 H new ATOM 0 HA ILE A 61 9.716 0.486 3.466 1.00 11.78 H new ATOM 0 HB ILE A 61 8.827 1.156 0.726 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.439 1.628 3.436 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.207 2.899 2.505 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.049 -0.476 1.224 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.666 -1.220 1.239 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.838 -0.858 2.772 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.759 2.960 2.220 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.549 2.576 0.672 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.769 1.286 1.617 1.00 11.42 H new ATOM 981 N GLN A 62 11.089 -1.314 2.348 1.00 13.97 N ATOM 982 CA GLN A 62 12.125 -2.213 2.009 1.00 15.52 C ATOM 983 C GLN A 62 11.506 -3.630 2.093 1.00 13.94 C ATOM 984 O GLN A 62 10.301 -3.806 2.095 1.00 12.15 O ATOM 985 CB GLN A 62 13.320 -2.139 2.951 1.00 19.53 C ATOM 986 CG GLN A 62 13.109 -1.623 4.404 1.00 26.38 C ATOM 987 CD GLN A 62 14.281 -2.080 5.286 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.461 -1.897 5.016 1.00 33.23 O ATOM 989 NE2 GLN A 62 13.933 -2.760 6.353 1.00 32.71 N ATOM 0 H GLN A 62 10.347 -1.732 2.909 1.00 13.97 H new ATOM 0 HA GLN A 62 12.504 -1.963 1.018 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.749 -3.139 3.017 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.069 -1.501 2.482 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.039 -0.535 4.408 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.169 -2.004 4.804 1.00 26.38 H new ATOM 0 HE21 GLN A 62 12.946 -2.905 6.566 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.649 -3.144 6.969 1.00 32.71 H new ATOM 998 N LYS A 63 12.411 -4.615 1.873 1.00 11.73 N ATOM 999 CA LYS A 63 11.939 -5.953 1.804 1.00 11.97 C ATOM 1000 C LYS A 63 11.330 -6.448 3.108 1.00 10.41 C ATOM 1001 O LYS A 63 11.825 -6.202 4.238 1.00 9.59 O ATOM 1002 CB LYS A 63 13.046 -6.924 1.345 1.00 13.73 C ATOM 1003 CG LYS A 63 14.055 -7.227 2.504 1.00 16.98 C ATOM 1004 CD LYS A 63 15.255 -8.040 2.011 1.00 20.19 C ATOM 1005 CE LYS A 63 15.867 -9.000 3.019 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.004 -9.625 2.317 1.00 25.97 N ATOM 0 H LYS A 63 13.415 -4.486 1.750 1.00 11.73 H new ATOM 0 HA LYS A 63 11.143 -5.937 1.060 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.596 -7.855 1.000 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.581 -6.495 0.498 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.404 -6.290 2.937 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.545 -7.775 3.297 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.947 -8.611 1.135 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.029 -7.346 1.683 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.198 -8.473 3.914 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.143 -9.749 3.340 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.475 -10.301 2.952 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.658 -10.126 1.474 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.681 -8.890 2.030 1.00 25.97 H new ATOM 1020 N GLU A 64 10.165 -7.140 3.036 1.00 10.04 N ATOM 1021 CA GLU A 64 9.359 -7.676 4.109 1.00 10.94 C ATOM 1022 C GLU A 64 8.800 -6.658 5.122 1.00 9.74 C ATOM 1023 O GLU A 64 8.263 -7.011 6.170 1.00 9.42 O ATOM 1024 CB GLU A 64 10.045 -8.848 4.844 1.00 18.31 C ATOM 1025 CG GLU A 64 10.487 -10.069 3.950 1.00 24.16 C ATOM 1026 CD GLU A 64 11.198 -11.178 4.734 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.101 -10.887 5.514 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.867 -12.374 4.555 1.00 31.72 O ATOM 0 H GLU A 64 9.746 -7.344 2.129 1.00 10.04 H new ATOM 0 HA GLU A 64 8.485 -8.049 3.575 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.926 -8.462 5.356 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.365 -9.215 5.613 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.607 -10.488 3.461 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.149 -9.711 3.162 1.00 24.16 H new ATOM 1035 N SER A 65 8.845 -5.387 4.802 1.00 6.85 N ATOM 1036 CA SER A 65 8.027 -4.365 5.457 1.00 6.90 C ATOM 1037 C SER A 65 6.530 -4.617 5.487 1.00 4.72 C ATOM 1038 O SER A 65 5.965 -5.210 4.626 1.00 3.91 O ATOM 1039 CB SER A 65 8.214 -2.986 4.796 1.00 7.28 C ATOM 1040 OG SER A 65 9.577 -2.490 4.797 1.00 10.56 O ATOM 0 H SER A 65 9.454 -5.017 4.072 1.00 6.85 H new ATOM 0 HA SER A 65 8.393 -4.402 6.483 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.864 -3.042 3.765 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.579 -2.264 5.309 1.00 7.28 H new ATOM 0 HG SER A 65 9.569 -1.510 4.824 1.00 10.56 H new ATOM 1046 N THR A 66 5.809 -4.281 6.536 1.00 4.48 N ATOM 1047 CA THR A 66 4.366 -4.461 6.658 1.00 3.80 C ATOM 1048 C THR A 66 3.705 -3.144 6.386 1.00 4.60 C ATOM 1049 O THR A 66 3.828 -2.178 7.154 1.00 5.33 O ATOM 1050 CB THR A 66 3.915 -4.971 8.039 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.503 -6.254 8.295 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.386 -5.057 8.268 1.00 3.40 C ATOM 0 H THR A 66 6.224 -3.857 7.365 1.00 4.48 H new ATOM 0 HA THR A 66 4.076 -5.226 5.938 1.00 3.80 H new ATOM 0 HB THR A 66 4.264 -4.212 8.739 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.216 -6.576 9.175 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.189 -5.428 9.274 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.945 -4.067 8.154 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.946 -5.736 7.538 1.00 3.40 H new ATOM 1060 N LEU A 67 3.071 -3.055 5.229 1.00 4.17 N ATOM 1061 CA LEU A 67 2.083 -2.040 4.902 1.00 3.85 C ATOM 1062 C LEU A 67 0.748 -2.494 5.466 1.00 3.80 C ATOM 1063 O LEU A 67 0.461 -3.697 5.543 1.00 5.54 O ATOM 1064 CB LEU A 67 1.931 -1.830 3.346 1.00 7.18 C ATOM 1065 CG LEU A 67 3.274 -1.710 2.538 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.836 -1.593 1.076 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.199 -0.682 3.168 1.00 11.66 C ATOM 0 H LEU A 67 3.236 -3.710 4.465 1.00 4.17 H new ATOM 0 HA LEU A 67 2.408 -1.092 5.330 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.358 -2.664 2.940 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.345 -0.927 3.176 1.00 7.18 H new ATOM 0 HG LEU A 67 3.947 -2.567 2.572 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.716 -1.505 0.439 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.271 -2.481 0.793 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.209 -0.710 0.954 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.121 -0.619 2.589 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.709 0.291 3.177 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.432 -0.980 4.190 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.141 -1.555 5.795 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.398 -1.922 6.448 1.00 4.17 C ATOM 1081 C HIS A 68 -2.472 -1.450 5.488 1.00 5.32 C ATOM 1082 O HIS A 68 -2.471 -0.286 5.046 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.524 -1.180 7.821 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.445 -1.442 8.808 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.877 -1.127 8.592 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.612 -1.966 10.035 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.490 -1.417 9.740 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.658 -1.916 10.662 1.00 16.30 N ATOM 0 H HIS A 68 -0.019 -0.557 5.625 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.470 -2.989 6.657 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.560 -0.108 7.629 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.477 -1.455 8.273 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.296 -0.754 7.740 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.529 -2.348 10.458 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.546 -1.265 9.908 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.445 -2.267 5.155 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.351 -1.837 4.111 1.00 3.97 C ATOM 1098 C LEU A 69 -5.593 -1.241 4.824 1.00 5.07 C ATOM 1099 O LEU A 69 -6.199 -1.928 5.687 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.915 -3.006 3.189 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.003 -2.655 2.133 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.319 -1.780 1.064 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.437 -4.029 1.584 1.00 9.96 C ATOM 0 H LEU A 69 -3.627 -3.184 5.564 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.791 -1.152 3.474 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.071 -3.449 2.661 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.323 -3.777 3.843 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.867 -2.104 2.505 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.045 -1.507 0.298 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.926 -0.876 1.530 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.501 -2.337 0.607 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.208 -3.891 0.826 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.578 -4.531 1.140 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.832 -4.637 2.397 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.932 -0.020 4.492 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.930 0.800 5.112 1.00 6.26 C ATOM 1117 C VAL A 70 -7.920 1.364 4.043 1.00 9.22 C ATOM 1118 O VAL A 70 -7.480 1.671 2.930 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.201 2.004 5.786 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.244 2.913 6.410 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.141 1.565 6.788 1.00 8.54 C ATOM 0 H VAL A 70 -5.476 0.461 3.716 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.490 0.208 5.836 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.652 2.556 5.023 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.750 3.760 6.886 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.921 3.275 5.636 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -7.811 2.357 7.157 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -4.667 2.444 7.225 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.608 0.975 7.576 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.388 0.962 6.281 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.274 1.362 4.286 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.166 1.833 3.294 1.00 16.06 C ATOM 1133 C LEU A 71 -10.148 3.395 3.209 1.00 18.09 C ATOM 1134 O LEU A 71 -9.582 4.130 4.107 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.701 1.413 3.422 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.913 -0.099 3.298 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.359 -0.581 3.616 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.411 -0.601 1.925 1.00 19.57 C ATOM 0 H LEU A 71 -9.712 1.040 5.149 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.775 1.340 2.404 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.087 1.752 4.383 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.278 1.921 2.649 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.309 -0.557 4.081 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.415 -1.664 3.502 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.616 -0.310 4.640 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -14.060 -0.107 2.929 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.568 -1.677 1.851 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.962 -0.099 1.130 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.348 -0.382 1.824 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.831 3.939 2.213 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.840 5.410 1.957 1.00 25.83 C ATOM 1152 C ARG A 72 -12.065 5.674 1.149 1.00 27.74 C ATOM 1153 O ARG A 72 -12.437 4.824 0.296 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.591 5.830 1.159 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.447 7.333 0.927 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.350 7.787 -0.082 1.00 34.05 C ATOM 1157 NE ARG A 72 -8.509 9.277 -0.238 1.00 35.08 N ATOM 1158 CZ ARG A 72 -7.793 10.014 -1.041 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -6.777 9.533 -1.780 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -8.147 11.286 -1.142 1.00 35.02 N ATOM 0 H ARG A 72 -11.394 3.400 1.556 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.835 5.973 2.891 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.706 5.472 1.685 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.611 5.329 0.191 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.407 7.717 0.581 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.242 7.807 1.887 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.355 7.539 0.288 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.469 7.281 -1.040 1.00 34.05 H new ATOM 0 HE ARG A 72 -9.225 9.740 0.322 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -6.533 8.544 -1.729 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -6.251 10.157 -2.392 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -8.941 11.638 -0.607 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -7.626 11.913 -1.754 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.690 6.861 1.339 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.848 7.319 0.600 1.00 30.76 C ATOM 1176 C LEU A 73 -13.443 8.076 -0.770 1.00 32.18 C ATOM 1177 O LEU A 73 -12.381 8.700 -0.796 1.00 32.31 O ATOM 1178 CB LEU A 73 -14.782 8.122 1.570 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.465 7.411 2.723 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.089 8.440 3.665 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.567 6.420 2.215 1.00 29.11 C ATOM 0 H LEU A 73 -12.377 7.534 2.038 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.429 6.470 0.240 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.190 8.933 1.994 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.563 8.581 0.963 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.712 6.831 3.256 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.579 7.926 4.492 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.310 9.095 4.055 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.824 9.033 3.121 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.035 5.928 3.068 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.322 6.972 1.655 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.112 5.670 1.569 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.331 8.149 -1.814 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.093 8.972 -2.989 1.00 35.33 C ATOM 1195 C ARG A 74 -14.099 10.477 -2.712 1.00 36.22 C ATOM 1196 O ARG A 74 -13.290 11.222 -3.265 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.221 8.697 -3.986 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.249 7.294 -4.598 1.00 38.62 C ATOM 1199 CD ARG A 74 -14.037 7.089 -5.577 1.00 39.75 C ATOM 1200 NE ARG A 74 -14.337 5.835 -6.348 1.00 41.13 N ATOM 1201 CZ ARG A 74 -13.669 5.457 -7.458 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -12.607 6.024 -7.952 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.136 4.374 -8.069 1.00 41.93 N ATOM 0 H ARG A 74 -15.212 7.636 -1.839 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.101 8.711 -3.359 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.173 8.872 -3.485 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -15.149 9.423 -4.795 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.213 6.546 -3.806 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.186 7.145 -5.135 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -13.927 7.942 -6.246 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -13.101 6.994 -5.026 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.090 5.234 -6.013 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -12.202 6.838 -7.490 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -12.180 5.654 -8.801 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.949 3.887 -7.693 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -13.681 4.029 -8.915 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.026 10.943 -1.838 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.007 12.327 -1.444 1.00 36.07 C ATOM 1219 C GLY A 75 -14.032 12.594 -0.309 1.00 36.16 C ATOM 1220 O GLY A 75 -13.881 13.795 0.033 1.00 36.26 O ATOM 0 H GLY A 75 -15.765 10.381 -1.417 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -14.738 12.942 -2.302 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.009 12.628 -1.137 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.310 11.567 0.197 1.00 36.05 N ATOM 1225 CA GLY A 76 -12.377 11.633 1.309 1.00 36.19 C ATOM 1226 C GLY A 76 -10.948 11.396 0.889 1.00 36.20 C ATOM 1227 O GLY A 76 -10.309 10.447 1.414 1.00 0.00 O ATOM 1228 OXT GLY A 76 -10.422 12.235 0.074 1.00 0.00 O ATOM 0 H GLY A 76 -13.378 10.626 -0.192 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -12.454 12.611 1.784 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -12.658 10.892 2.058 1.00 36.19 H new TER 1232 GLY A 76