USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 55 THR OG1 : rot -46:sc= 2.18 USER MOD Set 1.2: A 57 SER OG : rot -26:sc= 0.94 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.46 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.251 K(o=0.71,f=-3.1!) USER MOD Set 3.1: A 7 THR OG1 : rot 147:sc= 1.53 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 1 MET CE :methyl -171:sc= -0.241 (180deg=-0.313) USER MOD Single : A 1 MET N :NH3+ -171:sc= 2.25 (180deg=2.07) USER MOD Single : A 2 GLN : amide:sc= 0.01 X(o=0.01,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 152:sc= 0.921 (180deg=-0.287!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -71:sc= 1.03 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00697 USER MOD Single : A 27 LYS NZ :NH3+ -143:sc= 0.0587 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.36) USER MOD Single : A 33 LYS NZ :NH3+ -114:sc= 1.2 (180deg=-0.298) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 41 GLN : amide:sc= 0.0125 K(o=0.013,f=-5.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0053 K(o=-0.0053,f=-0.54) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.49 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=-0.13) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -112:sc= 0.0738 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.77! K(o=-1.8!,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.258 -7.548 -5.257 1.00 9.67 N ATOM 2 CA MET A 1 11.346 -7.826 -3.804 1.00 10.38 C ATOM 3 C MET A 1 10.005 -7.940 -3.120 1.00 9.62 C ATOM 4 O MET A 1 9.047 -7.103 -3.208 1.00 9.62 O ATOM 5 CB MET A 1 12.352 -6.807 -3.118 1.00 13.77 C ATOM 6 CG MET A 1 11.762 -5.371 -3.081 1.00 16.29 C ATOM 7 SD MET A 1 12.930 -4.275 -2.236 1.00 17.17 S ATOM 8 CE MET A 1 11.601 -3.281 -1.470 1.00 16.11 C ATOM 0 H1 MET A 1 12.202 -7.634 -5.685 1.00 9.67 H new ATOM 0 H2 MET A 1 10.612 -8.231 -5.703 1.00 9.67 H new ATOM 0 H3 MET A 1 10.898 -6.584 -5.405 1.00 9.67 H new ATOM 0 HA MET A 1 11.762 -8.825 -3.678 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.573 -7.138 -2.103 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.296 -6.801 -3.664 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.576 -5.014 -4.094 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.803 -5.371 -2.562 1.00 16.29 H new ATOM 0 HE1 MET A 1 12.033 -2.401 -0.994 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.893 -2.968 -2.237 1.00 16.11 H new ATOM 0 HE3 MET A 1 11.084 -3.881 -0.721 1.00 16.11 H new ATOM 20 N GLN A 2 9.770 -9.026 -2.276 1.00 9.27 N ATOM 21 CA GLN A 2 8.578 -9.217 -1.530 1.00 9.07 C ATOM 22 C GLN A 2 8.283 -8.156 -0.473 1.00 8.72 C ATOM 23 O GLN A 2 9.244 -7.701 0.194 1.00 8.22 O ATOM 24 CB GLN A 2 8.561 -10.558 -0.876 1.00 14.46 C ATOM 25 CG GLN A 2 8.699 -11.822 -1.813 1.00 17.01 C ATOM 26 CD GLN A 2 7.664 -12.036 -2.881 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.900 -12.972 -2.889 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.590 -11.275 -3.951 1.00 19.49 N ATOM 0 H GLN A 2 10.453 -9.770 -2.136 1.00 9.27 H new ATOM 0 HA GLN A 2 7.791 -9.131 -2.279 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.371 -10.588 -0.147 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.628 -10.650 -0.320 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.673 -11.770 -2.300 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.708 -12.707 -1.177 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.195 -10.459 -4.039 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.928 -11.501 -4.693 1.00 19.49 H new ATOM 37 N ILE A 3 6.986 -7.743 -0.344 1.00 5.87 N ATOM 38 CA ILE A 3 6.525 -7.109 0.890 1.00 5.07 C ATOM 39 C ILE A 3 5.129 -7.633 1.314 1.00 4.01 C ATOM 40 O ILE A 3 4.483 -8.321 0.551 1.00 4.61 O ATOM 41 CB ILE A 3 6.375 -5.602 0.924 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.499 -5.191 -0.282 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.756 -4.968 0.726 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.105 -3.718 -0.188 1.00 10.83 C ATOM 0 H ILE A 3 6.274 -7.842 -1.068 1.00 5.87 H new ATOM 0 HA ILE A 3 7.349 -7.378 1.550 1.00 5.07 H new ATOM 0 HB ILE A 3 5.935 -5.282 1.869 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.043 -5.368 -1.210 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.603 -5.811 -0.315 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.664 -3.882 0.748 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.423 -5.292 1.525 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.164 -5.278 -0.236 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.489 -3.451 -1.047 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.541 -3.550 0.730 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.003 -3.101 -0.180 1.00 10.83 H new ATOM 56 N PHE A 4 4.658 -7.394 2.591 1.00 4.55 N ATOM 57 CA PHE A 4 3.432 -7.877 3.061 1.00 4.68 C ATOM 58 C PHE A 4 2.507 -6.686 3.483 1.00 5.30 C ATOM 59 O PHE A 4 2.917 -5.850 4.299 1.00 5.58 O ATOM 60 CB PHE A 4 3.593 -8.981 4.220 1.00 4.83 C ATOM 61 CG PHE A 4 4.621 -10.027 3.845 1.00 7.97 C ATOM 62 CD1 PHE A 4 6.026 -9.844 4.030 1.00 8.34 C ATOM 63 CD2 PHE A 4 4.190 -11.277 3.378 1.00 6.69 C ATOM 64 CE1 PHE A 4 6.920 -10.910 3.749 1.00 10.61 C ATOM 65 CE2 PHE A 4 5.040 -12.305 3.118 1.00 9.10 C ATOM 66 CZ PHE A 4 6.449 -12.157 3.321 1.00 8.90 C ATOM 0 H PHE A 4 5.173 -6.847 3.281 1.00 4.55 H new ATOM 0 HA PHE A 4 2.947 -8.404 2.239 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.888 -8.495 5.150 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.632 -9.462 4.403 1.00 4.83 H new ATOM 0 HD1 PHE A 4 6.407 -8.897 4.383 1.00 8.34 H new ATOM 0 HD2 PHE A 4 3.133 -11.430 3.217 1.00 6.69 H new ATOM 0 HE1 PHE A 4 7.982 -10.756 3.867 1.00 10.61 H new ATOM 0 HE2 PHE A 4 4.648 -13.243 2.754 1.00 9.10 H new ATOM 0 HZ PHE A 4 7.127 -12.980 3.150 1.00 8.90 H new ATOM 76 N VAL A 5 1.289 -6.658 2.995 1.00 4.44 N ATOM 77 CA VAL A 5 0.304 -5.661 3.367 1.00 3.87 C ATOM 78 C VAL A 5 -0.844 -6.290 4.157 1.00 4.93 C ATOM 79 O VAL A 5 -1.428 -7.258 3.738 1.00 6.84 O ATOM 80 CB VAL A 5 -0.328 -4.910 2.164 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.389 -3.915 2.643 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.693 -4.235 1.230 1.00 9.13 C ATOM 0 H VAL A 5 0.946 -7.338 2.316 1.00 4.44 H new ATOM 0 HA VAL A 5 0.863 -4.943 3.968 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.806 -5.676 1.554 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.819 -3.400 1.784 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.175 -4.450 3.176 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.929 -3.186 3.310 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.167 -3.734 0.417 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.273 -3.503 1.793 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.363 -4.989 0.818 1.00 9.13 H new ATOM 92 N LYS A 6 -1.007 -5.858 5.431 1.00 6.04 N ATOM 93 CA LYS A 6 -2.048 -6.463 6.325 1.00 6.12 C ATOM 94 C LYS A 6 -3.344 -5.629 6.299 1.00 6.57 C ATOM 95 O LYS A 6 -3.325 -4.397 6.173 1.00 5.76 O ATOM 96 CB LYS A 6 -1.466 -6.588 7.772 1.00 7.45 C ATOM 97 CG LYS A 6 -0.121 -7.335 7.920 1.00 11.12 C ATOM 98 CD LYS A 6 0.095 -7.811 9.331 1.00 14.54 C ATOM 99 CE LYS A 6 -0.591 -9.144 9.602 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.523 -9.520 11.014 1.00 20.55 N ATOM 0 H LYS A 6 -0.454 -5.116 5.861 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.308 -7.459 5.966 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.343 -5.583 8.177 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.205 -7.093 8.393 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.101 -8.187 7.241 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.696 -6.675 7.629 1.00 11.12 H new ATOM 0 HD2 LYS A 6 1.164 -7.910 9.519 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.283 -7.062 10.027 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.635 -9.084 9.293 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.124 -9.921 8.997 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.002 -10.433 11.154 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.472 -9.603 11.304 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.991 -8.792 11.590 1.00 20.55 H new ATOM 114 N THR A 7 -4.511 -6.388 6.254 1.00 7.41 N ATOM 115 CA THR A 7 -5.785 -5.682 6.270 1.00 7.48 C ATOM 116 C THR A 7 -6.384 -5.666 7.646 1.00 8.75 C ATOM 117 O THR A 7 -5.927 -6.290 8.601 1.00 8.58 O ATOM 118 CB THR A 7 -6.901 -6.125 5.259 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.612 -7.248 5.601 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.232 -6.463 3.945 1.00 9.17 C ATOM 0 H THR A 7 -4.561 -7.406 6.210 1.00 7.41 H new ATOM 0 HA THR A 7 -5.477 -4.694 5.928 1.00 7.48 H new ATOM 0 HB THR A 7 -7.600 -5.289 5.232 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.534 -7.162 5.281 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.986 -6.775 3.222 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.708 -5.585 3.567 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.519 -7.273 4.098 1.00 9.17 H new ATOM 128 N LEU A 8 -7.448 -4.859 7.824 1.00 9.84 N ATOM 129 CA LEU A 8 -8.231 -4.919 9.040 1.00 14.15 C ATOM 130 C LEU A 8 -9.382 -5.898 8.946 1.00 17.37 C ATOM 131 O LEU A 8 -10.007 -6.292 9.919 1.00 17.01 O ATOM 132 CB LEU A 8 -8.746 -3.506 9.398 1.00 16.63 C ATOM 133 CG LEU A 8 -7.618 -2.516 9.486 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.060 -1.177 10.116 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.318 -3.064 10.240 1.00 18.59 C ATOM 0 H LEU A 8 -7.769 -4.172 7.142 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.578 -5.284 9.833 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.463 -3.177 8.646 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.276 -3.541 10.350 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.335 -2.346 8.447 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.210 -0.496 10.157 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.851 -0.734 9.511 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.432 -1.355 11.125 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.554 -2.287 10.259 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.579 -3.341 11.261 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.934 -3.938 9.714 1.00 18.59 H new ATOM 147 N THR A 9 -9.542 -6.471 7.764 1.00 18.33 N ATOM 148 CA THR A 9 -10.666 -7.299 7.402 1.00 19.24 C ATOM 149 C THR A 9 -10.319 -8.785 7.269 1.00 19.48 C ATOM 150 O THR A 9 -11.050 -9.523 6.600 1.00 23.14 O ATOM 151 CB THR A 9 -11.218 -6.792 6.077 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.273 -6.849 4.965 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.675 -5.316 6.285 1.00 19.70 C ATOM 0 H THR A 9 -8.865 -6.365 7.008 1.00 18.33 H new ATOM 0 HA THR A 9 -11.398 -7.227 8.206 1.00 19.24 H new ATOM 0 HB THR A 9 -12.040 -7.451 5.799 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.703 -6.509 4.153 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.076 -4.924 5.350 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.446 -5.279 7.055 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.823 -4.712 6.596 1.00 19.70 H new ATOM 161 N GLY A 10 -9.151 -9.307 7.798 1.00 19.43 N ATOM 162 CA GLY A 10 -8.844 -10.738 7.735 1.00 18.74 C ATOM 163 C GLY A 10 -7.930 -11.230 6.588 1.00 17.62 C ATOM 164 O GLY A 10 -7.954 -12.419 6.180 1.00 19.74 O ATOM 0 H GLY A 10 -8.436 -8.745 8.260 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -8.379 -11.023 8.679 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -9.787 -11.280 7.668 1.00 18.74 H new ATOM 168 N LYS A 11 -7.091 -10.383 5.987 1.00 13.56 N ATOM 169 CA LYS A 11 -6.223 -10.766 4.953 1.00 11.91 C ATOM 170 C LYS A 11 -4.887 -10.190 5.144 1.00 10.18 C ATOM 171 O LYS A 11 -4.711 -9.125 5.745 1.00 9.10 O ATOM 172 CB LYS A 11 -6.749 -10.281 3.603 1.00 13.43 C ATOM 173 CG LYS A 11 -6.994 -11.494 2.649 1.00 16.69 C ATOM 174 CD LYS A 11 -5.759 -11.928 1.837 1.00 17.92 C ATOM 175 CE LYS A 11 -5.969 -13.019 0.767 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.181 -12.683 0.026 1.00 21.93 N ATOM 0 H LYS A 11 -7.021 -9.396 6.236 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.165 -11.854 4.971 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.677 -9.727 3.744 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.033 -9.594 3.152 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.340 -12.341 3.241 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.797 -11.239 1.957 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -5.351 -11.045 1.345 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -5.002 -12.282 2.536 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.111 -13.068 0.096 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.065 -13.999 1.233 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.114 -13.064 -0.939 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.007 -13.096 0.505 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.287 -11.649 -0.016 1.00 21.93 H new ATOM 190 N THR A 12 -3.865 -10.894 4.623 1.00 9.63 N ATOM 191 CA THR A 12 -2.494 -10.385 4.401 1.00 9.85 C ATOM 192 C THR A 12 -2.123 -10.674 2.928 1.00 11.66 C ATOM 193 O THR A 12 -2.381 -11.681 2.361 1.00 12.33 O ATOM 194 CB THR A 12 -1.455 -11.023 5.348 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.829 -11.057 6.740 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.176 -10.207 5.317 1.00 9.63 C ATOM 0 H THR A 12 -3.972 -11.866 4.334 1.00 9.63 H new ATOM 0 HA THR A 12 -2.478 -9.316 4.615 1.00 9.85 H new ATOM 0 HB THR A 12 -1.356 -12.045 4.982 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.114 -11.478 7.261 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.559 -10.656 5.985 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.220 -10.190 4.302 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.387 -9.188 5.642 1.00 9.63 H new ATOM 204 N ILE A 13 -1.555 -9.677 2.281 1.00 10.42 N ATOM 205 CA ILE A 13 -1.319 -9.554 0.891 1.00 11.84 C ATOM 206 C ILE A 13 0.168 -9.530 0.674 1.00 10.55 C ATOM 207 O ILE A 13 0.833 -8.531 0.991 1.00 11.92 O ATOM 208 CB ILE A 13 -2.000 -8.352 0.269 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.337 -7.946 0.934 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.246 -8.727 -1.270 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.729 -6.541 0.423 1.00 16.46 C ATOM 0 H ILE A 13 -1.219 -8.857 2.786 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.762 -10.411 0.384 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.355 -7.484 0.405 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.116 -8.669 0.691 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.234 -7.940 2.019 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.737 -7.894 -1.773 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.290 -8.930 -1.752 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.879 -9.612 -1.332 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.670 -6.237 0.881 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.949 -5.827 0.688 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.845 -6.567 -0.661 1.00 16.46 H new ATOM 223 N THR A 14 0.840 -10.650 0.220 1.00 9.39 N ATOM 224 CA THR A 14 2.240 -10.694 -0.219 1.00 9.63 C ATOM 225 C THR A 14 2.332 -10.109 -1.590 1.00 11.20 C ATOM 226 O THR A 14 1.694 -10.516 -2.591 1.00 11.63 O ATOM 227 CB THR A 14 2.838 -12.139 -0.277 1.00 10.38 C ATOM 228 OG1 THR A 14 2.637 -12.864 0.962 1.00 16.30 O ATOM 229 CG2 THR A 14 4.369 -12.048 -0.441 1.00 11.66 C ATOM 0 H THR A 14 0.385 -11.561 0.158 1.00 9.39 H new ATOM 0 HA THR A 14 2.813 -10.131 0.518 1.00 9.63 H new ATOM 0 HB THR A 14 2.341 -12.647 -1.104 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.211 -12.485 1.660 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.791 -13.052 -0.482 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.605 -11.517 -1.363 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.794 -11.510 0.406 1.00 11.66 H new ATOM 237 N LEU A 15 3.103 -9.030 -1.710 1.00 8.29 N ATOM 238 CA LEU A 15 3.325 -8.276 -2.906 1.00 9.03 C ATOM 239 C LEU A 15 4.686 -8.327 -3.500 1.00 8.59 C ATOM 240 O LEU A 15 5.638 -8.280 -2.760 1.00 7.79 O ATOM 241 CB LEU A 15 2.940 -6.768 -2.662 1.00 11.08 C ATOM 242 CG LEU A 15 1.429 -6.505 -2.359 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.127 -5.057 -2.411 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.559 -7.222 -3.426 1.00 15.27 C ATOM 0 H LEU A 15 3.614 -8.649 -0.914 1.00 8.29 H new ATOM 0 HA LEU A 15 2.685 -8.767 -3.639 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.532 -6.389 -1.829 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.223 -6.191 -3.542 1.00 11.08 H new ATOM 0 HG LEU A 15 1.209 -6.884 -1.361 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.070 -4.898 -2.197 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.730 -4.533 -1.670 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.358 -4.673 -3.404 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.495 -7.041 -3.218 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.805 -6.836 -4.415 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.756 -8.294 -3.396 1.00 15.27 H new ATOM 256 N GLU A 16 4.852 -8.457 -4.828 1.00 11.04 N ATOM 257 CA GLU A 16 6.154 -8.279 -5.472 1.00 11.50 C ATOM 258 C GLU A 16 6.255 -6.833 -5.918 1.00 10.13 C ATOM 259 O GLU A 16 5.417 -6.382 -6.750 1.00 9.83 O ATOM 260 CB GLU A 16 6.234 -9.218 -6.680 1.00 17.22 C ATOM 261 CG GLU A 16 7.467 -9.130 -7.546 1.00 23.33 C ATOM 262 CD GLU A 16 8.669 -9.667 -6.793 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.050 -9.096 -5.751 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.352 -10.655 -7.243 1.00 28.86 O ATOM 0 H GLU A 16 4.095 -8.685 -5.473 1.00 11.04 H new ATOM 0 HA GLU A 16 6.972 -8.511 -4.790 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.149 -10.242 -6.317 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.365 -9.031 -7.311 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.318 -9.699 -8.464 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.643 -8.095 -7.838 1.00 23.33 H new ATOM 271 N VAL A 17 7.194 -6.024 -5.448 1.00 8.99 N ATOM 272 CA VAL A 17 7.378 -4.641 -5.741 1.00 8.85 C ATOM 273 C VAL A 17 8.850 -4.418 -6.040 1.00 8.04 C ATOM 274 O VAL A 17 9.765 -5.169 -5.735 1.00 8.99 O ATOM 275 CB VAL A 17 7.062 -3.738 -4.548 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.583 -3.849 -4.224 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.936 -4.087 -3.323 1.00 10.54 C ATOM 0 H VAL A 17 7.900 -6.366 -4.796 1.00 8.99 H new ATOM 0 HA VAL A 17 6.713 -4.397 -6.569 1.00 8.85 H new ATOM 0 HB VAL A 17 7.296 -2.706 -4.810 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.348 -3.208 -3.374 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.997 -3.536 -5.088 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.341 -4.883 -3.977 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.683 -3.425 -2.495 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.754 -5.121 -3.029 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.988 -3.962 -3.579 1.00 10.54 H new ATOM 287 N GLU A 18 9.235 -3.243 -6.620 1.00 7.29 N ATOM 288 CA GLU A 18 10.612 -2.790 -6.641 1.00 7.08 C ATOM 289 C GLU A 18 10.663 -1.430 -5.877 1.00 6.45 C ATOM 290 O GLU A 18 9.648 -0.742 -5.777 1.00 5.28 O ATOM 291 CB GLU A 18 11.040 -2.507 -8.099 1.00 10.28 C ATOM 292 CG GLU A 18 11.193 -3.768 -8.980 1.00 12.65 C ATOM 293 CD GLU A 18 12.436 -4.533 -8.660 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.356 -4.000 -8.033 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.607 -5.694 -9.198 1.00 18.17 O ATOM 0 H GLU A 18 8.584 -2.604 -7.077 1.00 7.29 H new ATOM 0 HA GLU A 18 11.262 -3.543 -6.195 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.305 -1.846 -8.558 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.989 -1.970 -8.088 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.326 -4.413 -8.841 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.208 -3.476 -10.030 1.00 12.65 H new ATOM 302 N PRO A 19 11.881 -1.008 -5.329 1.00 7.24 N ATOM 303 CA PRO A 19 12.038 0.281 -4.591 1.00 7.07 C ATOM 304 C PRO A 19 11.445 1.509 -5.212 1.00 6.65 C ATOM 305 O PRO A 19 11.226 2.534 -4.557 1.00 6.37 O ATOM 306 CB PRO A 19 13.511 0.445 -4.478 1.00 7.61 C ATOM 307 CG PRO A 19 14.002 -1.000 -4.353 1.00 8.16 C ATOM 308 CD PRO A 19 13.139 -1.741 -5.376 1.00 7.49 C ATOM 0 HA PRO A 19 11.486 0.206 -3.654 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.931 0.941 -5.353 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.786 1.043 -3.609 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.064 -1.087 -4.581 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.859 -1.390 -3.345 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.583 -1.719 -6.371 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.006 -2.790 -5.109 1.00 7.49 H new ATOM 316 N SER A 20 11.252 1.550 -6.608 1.00 6.80 N ATOM 317 CA SER A 20 10.742 2.679 -7.269 1.00 6.28 C ATOM 318 C SER A 20 9.275 2.607 -7.590 1.00 8.45 C ATOM 319 O SER A 20 8.738 3.404 -8.353 1.00 7.26 O ATOM 320 CB SER A 20 11.596 2.748 -8.607 1.00 8.57 C ATOM 321 OG SER A 20 11.402 1.613 -9.410 1.00 11.13 O ATOM 0 H SER A 20 11.468 0.770 -7.228 1.00 6.80 H new ATOM 0 HA SER A 20 10.824 3.560 -6.632 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.321 3.641 -9.168 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.653 2.841 -8.359 1.00 8.57 H new ATOM 0 HG SER A 20 11.942 1.692 -10.224 1.00 11.13 H new ATOM 327 N ASP A 21 8.505 1.588 -7.081 1.00 7.50 N ATOM 328 CA ASP A 21 7.108 1.657 -7.105 1.00 7.70 C ATOM 329 C ASP A 21 6.557 2.815 -6.265 1.00 7.08 C ATOM 330 O ASP A 21 6.932 3.065 -5.131 1.00 8.11 O ATOM 331 CB ASP A 21 6.305 0.358 -6.850 1.00 11.00 C ATOM 332 CG ASP A 21 6.436 -0.631 -7.966 1.00 15.32 C ATOM 333 OD1 ASP A 21 5.990 -0.352 -9.035 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.934 -1.761 -7.710 1.00 14.36 O ATOM 0 H ASP A 21 8.882 0.737 -6.663 1.00 7.50 H new ATOM 0 HA ASP A 21 6.933 1.850 -8.163 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.648 -0.100 -5.922 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.253 0.607 -6.713 1.00 11.00 H new ATOM 339 N THR A 22 5.554 3.551 -6.844 1.00 5.37 N ATOM 340 CA THR A 22 4.838 4.589 -6.137 1.00 6.01 C ATOM 341 C THR A 22 3.820 3.874 -5.240 1.00 8.01 C ATOM 342 O THR A 22 3.439 2.710 -5.515 1.00 8.11 O ATOM 343 CB THR A 22 4.155 5.675 -7.024 1.00 8.92 C ATOM 344 OG1 THR A 22 3.224 5.010 -7.873 1.00 10.22 O ATOM 345 CG2 THR A 22 5.088 6.448 -7.951 1.00 9.65 C ATOM 0 H THR A 22 5.245 3.419 -7.807 1.00 5.37 H new ATOM 0 HA THR A 22 5.564 5.173 -5.571 1.00 6.01 H new ATOM 0 HB THR A 22 3.721 6.394 -6.329 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.775 5.667 -8.444 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.512 7.177 -8.522 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.843 6.965 -7.359 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.577 5.755 -8.636 1.00 9.65 H new ATOM 353 N ILE A 23 3.252 4.572 -4.278 1.00 8.32 N ATOM 354 CA ILE A 23 2.070 4.187 -3.537 1.00 9.92 C ATOM 355 C ILE A 23 0.866 3.957 -4.457 1.00 10.01 C ATOM 356 O ILE A 23 0.005 3.080 -4.192 1.00 8.71 O ATOM 357 CB ILE A 23 1.867 5.213 -2.484 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.133 5.168 -1.581 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.550 5.029 -1.692 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.617 3.886 -0.944 1.00 12.30 C ATOM 0 H ILE A 23 3.624 5.473 -3.976 1.00 8.32 H new ATOM 0 HA ILE A 23 2.197 3.218 -3.054 1.00 9.92 H new ATOM 0 HB ILE A 23 1.750 6.199 -2.934 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.959 5.554 -2.178 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.967 5.878 -0.771 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.466 5.813 -0.939 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.297 5.090 -2.375 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.553 4.055 -1.203 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.514 4.087 -0.358 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.839 3.487 -0.292 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.847 3.158 -1.722 1.00 12.30 H new ATOM 372 N GLU A 24 0.702 4.755 -5.536 1.00 9.54 N ATOM 373 CA GLU A 24 -0.301 4.600 -6.575 1.00 11.81 C ATOM 374 C GLU A 24 -0.136 3.275 -7.388 1.00 11.14 C ATOM 375 O GLU A 24 -1.118 2.554 -7.505 1.00 10.62 O ATOM 376 CB GLU A 24 -0.319 5.900 -7.468 1.00 19.24 C ATOM 377 CG GLU A 24 -1.565 6.158 -8.308 1.00 27.76 C ATOM 378 CD GLU A 24 -1.373 7.114 -9.456 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.227 7.521 -9.769 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.385 7.445 -10.168 1.00 36.51 O ATOM 0 H GLU A 24 1.305 5.562 -5.700 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.282 4.496 -6.111 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.170 6.759 -6.814 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.538 5.858 -8.141 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.922 5.207 -8.703 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.349 6.547 -7.658 1.00 27.76 H new ATOM 387 N ASN A 25 1.068 2.897 -7.757 1.00 9.43 N ATOM 388 CA ASN A 25 1.380 1.586 -8.178 1.00 10.96 C ATOM 389 C ASN A 25 1.071 0.399 -7.159 1.00 9.68 C ATOM 390 O ASN A 25 0.554 -0.625 -7.576 1.00 9.33 O ATOM 391 CB ASN A 25 2.878 1.428 -8.545 1.00 16.78 C ATOM 392 CG ASN A 25 3.400 2.355 -9.624 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.467 2.940 -9.583 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.527 2.610 -10.658 1.00 24.70 N ATOM 0 H ASN A 25 1.869 3.528 -7.766 1.00 9.43 H new ATOM 0 HA ASN A 25 0.709 1.486 -9.031 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.471 1.583 -7.643 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.047 0.400 -8.865 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.776 3.284 -11.382 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.631 2.125 -10.700 1.00 24.70 H new ATOM 401 N VAL A 26 1.353 0.559 -5.865 1.00 6.52 N ATOM 402 CA VAL A 26 1.068 -0.542 -4.860 1.00 5.53 C ATOM 403 C VAL A 26 -0.426 -0.649 -4.616 1.00 4.42 C ATOM 404 O VAL A 26 -0.940 -1.768 -4.523 1.00 3.40 O ATOM 405 CB VAL A 26 1.795 -0.302 -3.573 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.517 -1.363 -2.511 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.303 -0.382 -3.893 1.00 8.12 C ATOM 0 H VAL A 26 1.766 1.402 -5.467 1.00 6.52 H new ATOM 0 HA VAL A 26 1.428 -1.484 -5.274 1.00 5.53 H new ATOM 0 HB VAL A 26 1.467 0.660 -3.179 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.076 -1.127 -1.605 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.451 -1.381 -2.285 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.826 -2.340 -2.883 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.878 -0.213 -2.982 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.538 -1.368 -4.293 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.559 0.379 -4.630 1.00 8.12 H new ATOM 417 N LYS A 27 -1.186 0.439 -4.868 1.00 2.64 N ATOM 418 CA LYS A 27 -2.681 0.414 -4.820 1.00 4.14 C ATOM 419 C LYS A 27 -3.177 -0.485 -5.930 1.00 5.58 C ATOM 420 O LYS A 27 -4.009 -1.354 -5.801 1.00 4.11 O ATOM 421 CB LYS A 27 -3.343 1.816 -4.841 1.00 3.97 C ATOM 422 CG LYS A 27 -3.122 2.582 -3.529 1.00 7.45 C ATOM 423 CD LYS A 27 -3.763 3.956 -3.593 1.00 9.02 C ATOM 424 CE LYS A 27 -3.503 4.764 -2.305 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.067 6.121 -2.508 1.00 15.47 N ATOM 0 H LYS A 27 -0.797 1.351 -5.108 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.984 0.010 -3.854 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.937 2.395 -5.670 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.413 1.708 -5.021 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.544 2.017 -2.697 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -2.054 2.683 -3.337 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.370 4.502 -4.451 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.837 3.850 -3.746 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.970 4.279 -1.448 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.435 4.820 -2.097 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.450 6.825 -2.055 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.131 6.321 -3.526 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.016 6.169 -2.085 1.00 15.47 H new ATOM 439 N ALA A 28 -2.480 -0.401 -7.142 1.00 6.61 N ATOM 440 CA ALA A 28 -2.755 -1.083 -8.377 1.00 7.74 C ATOM 441 C ALA A 28 -2.575 -2.636 -8.199 1.00 9.17 C ATOM 442 O ALA A 28 -3.371 -3.489 -8.605 1.00 11.45 O ATOM 443 CB ALA A 28 -2.084 -0.412 -9.567 1.00 7.68 C ATOM 0 H ALA A 28 -1.663 0.203 -7.228 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.807 -0.982 -8.645 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.321 -0.963 -10.477 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.446 0.612 -9.659 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.004 -0.404 -9.419 1.00 7.68 H new ATOM 449 N LYS A 29 -1.425 -2.984 -7.525 1.00 8.96 N ATOM 450 CA LYS A 29 -1.198 -4.333 -7.112 1.00 7.90 C ATOM 451 C LYS A 29 -2.195 -4.792 -6.110 1.00 6.92 C ATOM 452 O LYS A 29 -2.613 -5.988 -6.111 1.00 6.87 O ATOM 453 CB LYS A 29 0.183 -4.574 -6.514 1.00 10.28 C ATOM 454 CG LYS A 29 1.328 -4.244 -7.531 1.00 14.94 C ATOM 455 CD LYS A 29 2.704 -4.115 -6.811 1.00 19.69 C ATOM 456 CE LYS A 29 3.825 -3.358 -7.683 1.00 22.63 C ATOM 457 NZ LYS A 29 4.204 -4.166 -8.891 1.00 24.98 N ATOM 0 H LYS A 29 -0.681 -2.331 -7.281 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.289 -4.901 -8.038 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.303 -3.961 -5.621 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.266 -5.614 -6.200 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.383 -5.027 -8.287 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.099 -3.314 -8.051 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.564 -3.579 -5.873 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.066 -5.111 -6.558 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.451 -2.383 -7.996 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.708 -3.178 -7.070 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.928 -3.656 -9.436 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.582 -5.086 -8.588 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.364 -4.316 -9.486 1.00 24.98 H new ATOM 471 N ILE A 30 -2.593 -3.935 -5.147 1.00 4.57 N ATOM 472 CA ILE A 30 -3.653 -4.407 -4.197 1.00 5.58 C ATOM 473 C ILE A 30 -4.978 -4.697 -4.878 1.00 7.26 C ATOM 474 O ILE A 30 -5.685 -5.655 -4.545 1.00 9.46 O ATOM 475 CB ILE A 30 -3.738 -3.439 -2.985 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.469 -3.583 -2.129 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.076 -3.726 -2.109 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.465 -2.734 -0.851 1.00 2.00 C ATOM 0 H ILE A 30 -2.241 -2.989 -5.000 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.365 -5.382 -3.803 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.803 -2.413 -3.348 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.348 -4.631 -1.855 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.605 -3.310 -2.734 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.114 -3.036 -1.266 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.958 -3.584 -2.734 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.055 -4.751 -1.739 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.534 -2.897 -0.309 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.552 -1.680 -1.114 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.307 -3.021 -0.221 1.00 2.00 H new ATOM 490 N GLN A 31 -5.397 -3.871 -5.835 1.00 7.06 N ATOM 491 CA GLN A 31 -6.654 -3.927 -6.647 1.00 8.67 C ATOM 492 C GLN A 31 -6.661 -5.212 -7.407 1.00 10.90 C ATOM 493 O GLN A 31 -7.662 -5.948 -7.518 1.00 9.63 O ATOM 494 CB GLN A 31 -6.799 -2.712 -7.719 1.00 9.12 C ATOM 495 CG GLN A 31 -8.067 -2.889 -8.622 1.00 10.76 C ATOM 496 CD GLN A 31 -8.341 -1.834 -9.717 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.350 -1.304 -10.259 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.622 -1.548 -9.955 1.00 14.76 N ATOM 0 H GLN A 31 -4.829 -3.067 -6.101 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.486 -3.842 -5.948 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.860 -1.762 -7.188 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.908 -2.670 -8.346 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.995 -3.862 -9.108 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.938 -2.923 -7.968 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.357 -2.045 -9.453 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.866 -0.832 -10.639 1.00 14.76 H new ATOM 507 N ASP A 32 -5.518 -5.561 -7.994 1.00 10.93 N ATOM 508 CA ASP A 32 -5.318 -6.846 -8.690 1.00 14.01 C ATOM 509 C ASP A 32 -5.425 -8.080 -7.860 1.00 14.04 C ATOM 510 O ASP A 32 -6.005 -9.105 -8.245 1.00 13.39 O ATOM 511 CB ASP A 32 -3.944 -6.851 -9.441 1.00 18.01 C ATOM 512 CG ASP A 32 -4.038 -7.866 -10.528 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.995 -7.802 -11.339 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.093 -8.662 -10.717 1.00 25.17 O ATOM 0 H ASP A 32 -4.694 -4.960 -8.004 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.160 -6.897 -9.380 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.727 -5.865 -9.853 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.132 -7.095 -8.756 1.00 18.01 H new ATOM 519 N LYS A 33 -4.793 -8.037 -6.639 1.00 14.22 N ATOM 520 CA LYS A 33 -4.840 -9.148 -5.732 1.00 14.00 C ATOM 521 C LYS A 33 -6.237 -9.333 -5.155 1.00 12.37 C ATOM 522 O LYS A 33 -6.823 -10.380 -5.121 1.00 12.17 O ATOM 523 CB LYS A 33 -3.880 -8.837 -4.501 1.00 18.62 C ATOM 524 CG LYS A 33 -2.387 -8.983 -4.895 1.00 24.00 C ATOM 525 CD LYS A 33 -1.883 -10.408 -4.814 1.00 27.61 C ATOM 526 CE LYS A 33 -0.392 -10.540 -5.091 1.00 27.64 C ATOM 527 NZ LYS A 33 0.084 -11.802 -4.449 1.00 30.06 N ATOM 0 H LYS A 33 -4.261 -7.236 -6.299 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.543 -10.042 -6.280 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.065 -7.825 -4.140 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.109 -9.515 -3.679 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.249 -8.613 -5.911 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.783 -8.354 -4.242 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.097 -10.805 -3.822 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.433 -11.021 -5.528 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.204 -10.563 -6.164 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.148 -9.681 -4.691 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.744 -11.572 -3.679 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.729 -12.324 -4.064 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.569 -12.390 -5.157 1.00 30.06 H new ATOM 541 N GLU A 34 -6.871 -8.252 -4.695 1.00 10.11 N ATOM 542 CA GLU A 34 -8.034 -8.399 -3.813 1.00 10.07 C ATOM 543 C GLU A 34 -9.255 -7.722 -4.365 1.00 9.32 C ATOM 544 O GLU A 34 -10.263 -7.680 -3.713 1.00 11.61 O ATOM 545 CB GLU A 34 -7.681 -7.712 -2.523 1.00 14.77 C ATOM 546 CG GLU A 34 -6.521 -8.277 -1.737 1.00 18.75 C ATOM 547 CD GLU A 34 -6.668 -9.808 -1.521 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.635 -10.276 -0.873 1.00 21.95 O ATOM 549 OE2 GLU A 34 -5.784 -10.577 -1.937 1.00 25.19 O ATOM 0 H GLU A 34 -6.610 -7.290 -4.910 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.259 -9.459 -3.696 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.462 -6.667 -2.745 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.562 -7.724 -1.881 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.589 -8.071 -2.264 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.458 -7.777 -0.770 1.00 18.75 H new ATOM 556 N GLY A 35 -9.278 -7.043 -5.536 1.00 7.22 N ATOM 557 CA GLY A 35 -10.487 -6.397 -6.020 1.00 6.29 C ATOM 558 C GLY A 35 -10.801 -5.122 -5.466 1.00 6.93 C ATOM 559 O GLY A 35 -11.751 -4.475 -5.903 1.00 7.41 O ATOM 0 H GLY A 35 -8.470 -6.937 -6.149 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.403 -6.286 -7.101 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.327 -7.065 -5.832 1.00 6.29 H new ATOM 563 N ILE A 36 -9.986 -4.534 -4.557 1.00 5.86 N ATOM 564 CA ILE A 36 -10.374 -3.421 -3.711 1.00 6.07 C ATOM 565 C ILE A 36 -10.294 -2.066 -4.442 1.00 6.36 C ATOM 566 O ILE A 36 -9.219 -1.802 -4.993 1.00 6.18 O ATOM 567 CB ILE A 36 -9.497 -3.365 -2.488 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.719 -4.683 -1.715 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.911 -2.181 -1.662 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.715 -4.804 -0.574 1.00 9.49 C ATOM 0 H ILE A 36 -9.025 -4.839 -4.402 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.413 -3.593 -3.429 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.442 -3.257 -2.739 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.734 -4.714 -1.320 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.615 -5.531 -2.392 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.287 -2.123 -0.770 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.793 -1.269 -2.248 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.955 -2.290 -1.368 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.884 -5.738 -0.038 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.703 -4.795 -0.978 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.840 -3.965 0.111 1.00 9.49 H new ATOM 582 N PRO A 37 -11.265 -1.179 -4.604 1.00 8.65 N ATOM 583 CA PRO A 37 -11.096 -0.018 -5.485 1.00 9.18 C ATOM 584 C PRO A 37 -9.910 0.929 -5.138 1.00 9.85 C ATOM 585 O PRO A 37 -9.825 1.457 -4.016 1.00 8.51 O ATOM 586 CB PRO A 37 -12.459 0.630 -5.418 1.00 11.42 C ATOM 587 CG PRO A 37 -13.479 -0.568 -5.176 1.00 9.27 C ATOM 588 CD PRO A 37 -12.662 -1.453 -4.267 1.00 8.33 C ATOM 0 HA PRO A 37 -10.799 -0.304 -6.494 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.509 1.359 -4.609 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.688 1.162 -6.341 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -14.404 -0.235 -4.706 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.755 -1.070 -6.103 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.863 -1.231 -3.219 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.904 -2.504 -4.422 1.00 8.33 H new ATOM 596 N PRO A 38 -9.015 1.306 -6.052 1.00 8.71 N ATOM 597 CA PRO A 38 -7.791 2.072 -5.761 1.00 9.08 C ATOM 598 C PRO A 38 -8.146 3.517 -5.422 1.00 9.28 C ATOM 599 O PRO A 38 -7.240 4.286 -4.979 1.00 6.50 O ATOM 600 CB PRO A 38 -6.916 1.959 -7.053 1.00 10.31 C ATOM 601 CG PRO A 38 -8.033 1.762 -8.149 1.00 10.81 C ATOM 602 CD PRO A 38 -9.043 0.860 -7.466 1.00 12.00 C ATOM 0 HA PRO A 38 -7.247 1.690 -4.897 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.319 2.854 -7.227 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -6.224 1.118 -7.012 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -8.478 2.712 -8.444 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -7.632 1.304 -9.053 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -10.036 0.970 -7.901 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.769 -0.191 -7.560 1.00 12.00 H new ATOM 610 N ASP A 39 -9.459 4.008 -5.577 1.00 11.20 N ATOM 611 CA ASP A 39 -9.814 5.309 -5.146 1.00 14.96 C ATOM 612 C ASP A 39 -10.405 5.313 -3.698 1.00 13.99 C ATOM 613 O ASP A 39 -10.651 6.367 -3.071 1.00 13.75 O ATOM 614 CB ASP A 39 -10.753 6.035 -6.087 1.00 24.16 C ATOM 615 CG ASP A 39 -10.143 6.255 -7.407 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.157 7.000 -7.450 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.573 5.624 -8.412 1.00 34.22 O ATOM 0 H ASP A 39 -10.222 3.478 -5.997 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.873 5.859 -5.146 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.670 5.457 -6.202 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.033 6.994 -5.652 1.00 24.16 H new ATOM 622 N GLN A 40 -10.613 4.084 -3.154 1.00 11.60 N ATOM 623 CA GLN A 40 -10.988 3.971 -1.751 1.00 10.76 C ATOM 624 C GLN A 40 -9.817 3.494 -0.954 1.00 8.01 C ATOM 625 O GLN A 40 -9.910 3.465 0.270 1.00 8.96 O ATOM 626 CB GLN A 40 -12.034 2.886 -1.576 1.00 11.14 C ATOM 627 CG GLN A 40 -13.372 3.308 -2.261 1.00 14.85 C ATOM 628 CD GLN A 40 -14.545 2.424 -1.930 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.728 1.359 -2.523 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.329 2.851 -0.908 1.00 18.16 N ATOM 0 H GLN A 40 -10.528 3.200 -3.656 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.347 4.949 -1.430 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.675 1.952 -2.008 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.203 2.702 -0.515 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.609 4.331 -1.968 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.228 3.311 -3.341 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.132 3.742 -0.452 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.115 2.281 -0.596 1.00 18.16 H new ATOM 639 N GLN A 41 -8.697 3.099 -1.554 1.00 6.52 N ATOM 640 CA GLN A 41 -7.458 2.687 -0.957 1.00 3.87 C ATOM 641 C GLN A 41 -6.685 3.838 -0.319 1.00 4.79 C ATOM 642 O GLN A 41 -6.512 4.880 -0.962 1.00 6.34 O ATOM 643 CB GLN A 41 -6.543 1.867 -1.916 1.00 4.20 C ATOM 644 CG GLN A 41 -7.139 0.451 -2.310 1.00 3.20 C ATOM 645 CD GLN A 41 -6.040 -0.285 -3.010 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.884 -0.180 -2.620 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.397 -0.998 -4.136 1.00 7.13 N ATOM 0 H GLN A 41 -8.644 3.061 -2.572 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.760 2.013 -0.155 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.373 2.445 -2.824 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.572 1.724 -1.443 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.469 -0.092 -1.425 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.008 0.561 -2.958 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.376 -1.053 -4.416 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.682 -1.470 -4.689 1.00 7.13 H new ATOM 656 N ARG A 42 -6.183 3.663 0.913 1.00 5.73 N ATOM 657 CA ARG A 42 -5.259 4.512 1.649 1.00 6.97 C ATOM 658 C ARG A 42 -4.213 3.633 2.193 1.00 7.15 C ATOM 659 O ARG A 42 -4.493 2.537 2.707 1.00 7.33 O ATOM 660 CB ARG A 42 -6.036 5.156 2.823 1.00 13.23 C ATOM 661 CG ARG A 42 -6.905 6.300 2.350 1.00 21.27 C ATOM 662 CD ARG A 42 -7.808 6.890 3.388 1.00 26.14 C ATOM 663 NE ARG A 42 -8.325 8.130 2.868 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.228 8.938 3.485 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.743 8.521 4.580 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.414 10.170 3.041 1.00 36.39 N ATOM 0 H ARG A 42 -6.444 2.844 1.463 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.827 5.288 1.018 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.657 4.402 3.307 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.332 5.518 3.572 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.260 7.089 1.963 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.516 5.950 1.517 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.623 6.204 3.620 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.262 7.063 4.316 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.983 8.429 1.955 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.472 7.613 4.958 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.424 9.096 5.075 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.881 10.509 2.240 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.090 10.781 3.500 1.00 36.39 H new ATOM 680 N LEU A 43 -2.878 3.984 1.962 1.00 4.65 N ATOM 681 CA LEU A 43 -1.821 3.032 2.328 1.00 3.51 C ATOM 682 C LEU A 43 -1.001 3.472 3.496 1.00 5.56 C ATOM 683 O LEU A 43 -0.637 4.681 3.667 1.00 4.19 O ATOM 684 CB LEU A 43 -0.739 2.699 1.192 1.00 3.74 C ATOM 685 CG LEU A 43 -1.301 2.089 -0.136 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.238 1.517 -1.102 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.245 0.960 0.072 1.00 6.41 C ATOM 0 H LEU A 43 -2.561 4.862 1.552 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.426 2.150 2.538 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.204 3.617 0.949 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.009 2.004 1.607 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.788 2.964 -0.566 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.730 1.119 -1.990 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.452 2.309 -1.393 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.314 0.719 -0.605 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.590 0.592 -0.894 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.739 0.156 0.607 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.099 1.303 0.656 1.00 6.41 H new ATOM 699 N ILE A 44 -0.719 2.509 4.398 1.00 4.58 N ATOM 700 CA ILE A 44 -0.124 2.838 5.708 1.00 5.55 C ATOM 701 C ILE A 44 1.206 2.109 5.911 1.00 5.46 C ATOM 702 O ILE A 44 1.273 0.963 5.490 1.00 6.04 O ATOM 703 CB ILE A 44 -1.094 2.375 6.812 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.559 2.770 6.626 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.496 2.826 8.195 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.868 4.255 6.846 1.00 13.90 C ATOM 0 H ILE A 44 -0.890 1.515 4.247 1.00 4.58 H new ATOM 0 HA ILE A 44 0.052 3.913 5.749 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.160 1.288 6.759 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.867 2.497 5.617 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.167 2.183 7.314 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.162 2.512 8.999 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.483 2.368 8.335 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.394 3.911 8.211 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.932 4.432 6.691 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.598 4.536 7.864 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.293 4.855 6.140 1.00 13.90 H new ATOM 718 N PHE A 45 2.222 2.724 6.559 1.00 6.75 N ATOM 719 CA PHE A 45 3.439 2.066 6.949 1.00 4.70 C ATOM 720 C PHE A 45 3.849 2.786 8.195 1.00 6.34 C ATOM 721 O PHE A 45 3.686 4.033 8.307 1.00 5.45 O ATOM 722 CB PHE A 45 4.673 2.218 6.012 1.00 5.51 C ATOM 723 CG PHE A 45 6.007 1.549 6.406 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.955 0.179 6.624 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.181 2.297 6.493 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.185 -0.400 7.059 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.359 1.736 6.988 1.00 6.64 C ATOM 728 CZ PHE A 45 8.323 0.376 7.255 1.00 6.84 C ATOM 0 H PHE A 45 2.195 3.710 6.819 1.00 6.75 H new ATOM 0 HA PHE A 45 3.213 1.001 6.991 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.390 1.833 5.032 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.864 3.284 5.892 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.057 -0.402 6.476 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.178 3.328 6.172 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.233 -1.464 7.240 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.248 2.327 7.154 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.216 -0.101 7.631 1.00 6.84 H new ATOM 738 N ALA A 46 4.396 2.112 9.238 1.00 6.53 N ATOM 739 CA ALA A 46 4.871 2.660 10.484 1.00 7.15 C ATOM 740 C ALA A 46 3.883 3.647 11.169 1.00 9.00 C ATOM 741 O ALA A 46 4.219 4.578 11.918 1.00 11.15 O ATOM 742 CB ALA A 46 6.193 3.404 10.251 1.00 8.99 C ATOM 0 H ALA A 46 4.514 1.099 9.203 1.00 6.53 H new ATOM 0 HA ALA A 46 4.990 1.805 11.150 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.549 3.817 11.195 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.935 2.711 9.855 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.034 4.213 9.538 1.00 8.99 H new ATOM 748 N GLY A 47 2.612 3.276 11.000 1.00 9.35 N ATOM 749 CA GLY A 47 1.455 3.979 11.593 1.00 11.68 C ATOM 750 C GLY A 47 0.947 5.217 10.890 1.00 11.14 C ATOM 751 O GLY A 47 -0.075 5.817 11.284 1.00 13.93 O ATOM 0 H GLY A 47 2.346 2.467 10.439 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.630 3.269 11.660 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.719 4.258 12.613 1.00 11.68 H new ATOM 755 N LYS A 48 1.643 5.612 9.799 1.00 10.47 N ATOM 756 CA LYS A 48 1.369 6.885 9.127 1.00 8.82 C ATOM 757 C LYS A 48 0.883 6.619 7.713 1.00 7.68 C ATOM 758 O LYS A 48 1.221 5.612 7.037 1.00 6.47 O ATOM 759 CB LYS A 48 2.592 7.853 9.064 1.00 9.74 C ATOM 760 CG LYS A 48 3.405 8.022 10.344 1.00 14.14 C ATOM 761 CD LYS A 48 4.377 9.213 10.280 1.00 16.32 C ATOM 762 CE LYS A 48 5.156 9.531 9.014 1.00 20.04 C ATOM 763 NZ LYS A 48 6.026 8.416 8.536 1.00 23.92 N ATOM 0 H LYS A 48 2.392 5.065 9.374 1.00 10.47 H new ATOM 0 HA LYS A 48 0.607 7.381 9.728 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.263 7.502 8.280 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.232 8.835 8.759 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.725 8.158 11.185 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.969 7.109 10.534 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.803 10.105 10.532 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.108 9.069 11.075 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.452 9.793 8.224 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.776 10.410 9.193 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.523 8.710 7.671 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.722 8.179 9.271 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.440 7.581 8.332 1.00 23.92 H new ATOM 777 N GLN A 49 0.054 7.507 7.153 1.00 8.89 N ATOM 778 CA GLN A 49 -0.357 7.413 5.725 1.00 7.18 C ATOM 779 C GLN A 49 0.745 7.849 4.746 1.00 8.23 C ATOM 780 O GLN A 49 1.690 8.653 5.023 1.00 9.70 O ATOM 781 CB GLN A 49 -1.742 8.057 5.435 1.00 11.67 C ATOM 782 CG GLN A 49 -2.525 7.536 4.211 1.00 15.82 C ATOM 783 CD GLN A 49 -3.885 8.303 4.061 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.885 7.917 4.670 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.955 9.295 3.165 1.00 20.67 N ATOM 0 H GLN A 49 -0.350 8.299 7.653 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.500 6.349 5.535 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.368 7.922 6.317 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.595 9.130 5.309 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.927 7.664 3.308 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.713 6.468 4.320 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.115 9.598 2.673 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.849 9.748 2.974 1.00 20.67 H new ATOM 794 N LEU A 50 0.750 7.244 3.572 1.00 6.51 N ATOM 795 CA LEU A 50 1.757 7.345 2.554 1.00 7.41 C ATOM 796 C LEU A 50 1.260 7.998 1.301 1.00 8.27 C ATOM 797 O LEU A 50 0.137 7.775 0.817 1.00 8.34 O ATOM 798 CB LEU A 50 2.207 5.933 2.090 1.00 7.13 C ATOM 799 CG LEU A 50 2.784 5.086 3.236 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.254 3.754 2.721 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.972 5.777 3.933 1.00 9.11 C ATOM 0 H LEU A 50 -0.011 6.625 3.293 1.00 6.51 H new ATOM 0 HA LEU A 50 2.556 7.929 3.012 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.356 5.411 1.651 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.957 6.035 1.306 1.00 7.13 H new ATOM 0 HG LEU A 50 1.978 4.957 3.959 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.659 3.168 3.546 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.415 3.220 2.274 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.029 3.907 1.970 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.344 5.139 4.735 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.768 5.951 3.209 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.645 6.730 4.349 1.00 9.11 H new ATOM 813 N GLU A 51 2.129 8.783 0.698 1.00 9.43 N ATOM 814 CA GLU A 51 1.750 9.837 -0.237 1.00 11.90 C ATOM 815 C GLU A 51 1.694 9.323 -1.720 1.00 11.49 C ATOM 816 O GLU A 51 2.474 8.539 -2.218 1.00 9.88 O ATOM 817 CB GLU A 51 2.585 11.193 -0.130 1.00 16.56 C ATOM 818 CG GLU A 51 2.355 11.807 1.245 1.00 26.06 C ATOM 819 CD GLU A 51 2.932 13.200 1.339 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.884 13.950 0.334 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.351 13.548 2.472 1.00 33.44 O ATOM 0 H GLU A 51 3.136 8.710 0.842 1.00 9.43 H new ATOM 0 HA GLU A 51 0.743 10.107 0.082 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.646 10.995 -0.282 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.276 11.889 -0.910 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.286 11.841 1.454 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.809 11.173 2.007 1.00 26.06 H new ATOM 828 N ASP A 52 0.609 9.734 -2.435 1.00 12.71 N ATOM 829 CA ASP A 52 0.134 9.245 -3.694 1.00 16.56 C ATOM 830 C ASP A 52 1.250 9.294 -4.760 1.00 15.83 C ATOM 831 O ASP A 52 1.414 8.424 -5.650 1.00 17.21 O ATOM 832 CB ASP A 52 -0.999 10.199 -4.136 1.00 21.05 C ATOM 833 CG ASP A 52 -2.255 9.908 -3.296 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.294 10.199 -2.049 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.276 9.489 -3.913 1.00 25.82 O ATOM 0 H ASP A 52 0.014 10.485 -2.084 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.201 8.213 -3.593 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.690 11.236 -4.005 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.215 10.062 -5.196 1.00 21.05 H new ATOM 840 N GLY A 53 2.178 10.288 -4.822 1.00 15.00 N ATOM 841 CA GLY A 53 3.236 10.496 -5.801 1.00 11.77 C ATOM 842 C GLY A 53 4.558 10.287 -5.231 1.00 11.10 C ATOM 843 O GLY A 53 5.569 10.833 -5.677 1.00 11.25 O ATOM 0 H GLY A 53 2.189 11.022 -4.114 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.092 9.815 -6.640 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.169 11.509 -6.197 1.00 11.77 H new ATOM 847 N ARG A 54 4.665 9.533 -4.126 1.00 8.53 N ATOM 848 CA ARG A 54 5.879 9.113 -3.490 1.00 9.05 C ATOM 849 C ARG A 54 6.055 7.587 -3.660 1.00 8.96 C ATOM 850 O ARG A 54 5.188 6.905 -4.126 1.00 11.60 O ATOM 851 CB ARG A 54 5.896 9.454 -2.041 1.00 7.97 C ATOM 852 CG ARG A 54 6.098 10.983 -1.738 1.00 9.62 C ATOM 853 CD ARG A 54 7.570 11.354 -1.968 1.00 12.20 C ATOM 854 NE ARG A 54 7.756 12.815 -1.599 1.00 18.23 N ATOM 855 CZ ARG A 54 8.942 13.460 -1.505 1.00 22.08 C ATOM 856 NH1 ARG A 54 10.088 12.837 -1.809 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.929 14.704 -1.167 1.00 23.38 N ATOM 0 H ARG A 54 3.839 9.189 -3.637 1.00 8.53 H new ATOM 0 HA ARG A 54 6.702 9.644 -3.969 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.958 9.128 -1.592 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.694 8.891 -1.557 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.455 11.582 -2.383 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.812 11.203 -0.710 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.220 10.723 -1.361 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.846 11.187 -3.009 1.00 12.20 H new ATOM 0 HE ARG A 54 6.914 13.357 -1.405 1.00 18.23 H new ATOM 0 HH11 ARG A 54 10.074 11.864 -2.116 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.975 13.335 -1.734 1.00 25.50 H new ATOM 0 HH21 ARG A 54 8.042 15.172 -0.980 1.00 23.38 H new ATOM 0 HH22 ARG A 54 9.805 15.220 -1.087 1.00 23.38 H new ATOM 871 N THR A 55 7.262 7.116 -3.330 1.00 9.05 N ATOM 872 CA THR A 55 7.717 5.775 -3.643 1.00 9.03 C ATOM 873 C THR A 55 8.136 5.004 -2.418 1.00 8.15 C ATOM 874 O THR A 55 8.373 5.535 -1.349 1.00 5.91 O ATOM 875 CB THR A 55 8.906 5.586 -4.613 1.00 11.15 C ATOM 876 OG1 THR A 55 10.130 6.071 -4.067 1.00 11.95 O ATOM 877 CG2 THR A 55 8.675 6.479 -5.815 1.00 11.71 C ATOM 0 H THR A 55 7.955 7.672 -2.830 1.00 9.05 H new ATOM 0 HA THR A 55 6.814 5.417 -4.137 1.00 9.03 H new ATOM 0 HB THR A 55 8.970 4.520 -4.833 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.983 6.954 -3.668 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.501 6.365 -6.517 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.742 6.197 -6.303 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.615 7.518 -5.490 1.00 11.71 H new ATOM 885 N LEU A 56 8.357 3.672 -2.550 1.00 6.91 N ATOM 886 CA LEU A 56 8.936 2.787 -1.521 1.00 8.29 C ATOM 887 C LEU A 56 10.310 3.261 -1.072 1.00 8.05 C ATOM 888 O LEU A 56 10.638 3.116 0.121 1.00 10.17 O ATOM 889 CB LEU A 56 9.026 1.317 -2.006 1.00 6.60 C ATOM 890 CG LEU A 56 7.579 0.768 -2.384 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.691 -0.664 -2.777 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.532 0.949 -1.292 1.00 8.64 C ATOM 0 H LEU A 56 8.127 3.172 -3.409 1.00 6.91 H new ATOM 0 HA LEU A 56 8.258 2.831 -0.669 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.684 1.253 -2.872 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.465 0.696 -1.225 1.00 6.60 H new ATOM 0 HG LEU A 56 7.221 1.371 -3.219 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.705 -1.048 -3.037 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.354 -0.754 -3.637 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.096 -1.239 -1.944 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.578 0.548 -1.633 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.848 0.419 -0.394 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.420 2.010 -1.067 1.00 8.64 H new ATOM 904 N SER A 57 11.116 3.816 -2.007 1.00 8.92 N ATOM 905 CA SER A 57 12.460 4.288 -1.680 1.00 9.00 C ATOM 906 C SER A 57 12.465 5.586 -0.844 1.00 9.44 C ATOM 907 O SER A 57 13.434 5.931 -0.147 1.00 10.91 O ATOM 908 CB SER A 57 13.358 4.479 -2.911 1.00 10.32 C ATOM 909 OG SER A 57 12.865 5.467 -3.840 1.00 13.59 O ATOM 0 H SER A 57 10.851 3.942 -2.984 1.00 8.92 H new ATOM 0 HA SER A 57 12.876 3.483 -1.074 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.355 4.769 -2.581 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.458 3.525 -3.428 1.00 10.32 H new ATOM 0 HG SER A 57 11.891 5.539 -3.755 1.00 13.59 H new ATOM 915 N ASP A 58 11.412 6.450 -0.891 1.00 9.11 N ATOM 916 CA ASP A 58 11.213 7.671 -0.068 1.00 7.91 C ATOM 917 C ASP A 58 11.116 7.364 1.343 1.00 9.12 C ATOM 918 O ASP A 58 11.787 8.051 2.085 1.00 8.61 O ATOM 919 CB ASP A 58 9.983 8.442 -0.576 1.00 8.41 C ATOM 920 CG ASP A 58 10.174 9.046 -1.999 1.00 11.50 C ATOM 921 OD1 ASP A 58 9.791 8.426 -2.987 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.555 10.238 -2.116 1.00 10.05 O ATOM 0 H ASP A 58 10.639 6.302 -1.540 1.00 9.11 H new ATOM 0 HA ASP A 58 12.090 8.309 -0.177 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.123 7.773 -0.586 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.753 9.246 0.124 1.00 8.41 H new ATOM 927 N TYR A 59 10.426 6.286 1.706 1.00 7.97 N ATOM 928 CA TYR A 59 10.190 5.812 3.017 1.00 8.45 C ATOM 929 C TYR A 59 11.123 4.741 3.511 1.00 10.98 C ATOM 930 O TYR A 59 11.070 4.332 4.665 1.00 12.95 O ATOM 931 CB TYR A 59 8.736 5.281 3.145 1.00 7.94 C ATOM 932 CG TYR A 59 7.723 6.271 2.763 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.383 7.419 3.558 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.985 6.084 1.558 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.477 8.369 3.142 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.978 6.983 1.217 1.00 6.52 C ATOM 937 CZ TYR A 59 5.793 8.163 1.941 1.00 6.76 C ATOM 938 OH TYR A 59 4.961 9.224 1.476 1.00 7.63 O ATOM 0 H TYR A 59 9.989 5.686 1.007 1.00 7.97 H new ATOM 0 HA TYR A 59 10.371 6.685 3.644 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.623 4.395 2.519 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.559 4.969 4.174 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.857 7.542 4.521 1.00 4.59 H new ATOM 0 HD2 TYR A 59 7.206 5.248 0.912 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.299 9.256 3.732 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.331 6.765 0.381 1.00 6.52 H new ATOM 0 HH TYR A 59 5.327 10.082 1.776 1.00 7.63 H new ATOM 948 N ASN A 60 12.043 4.336 2.618 1.00 12.38 N ATOM 949 CA ASN A 60 13.030 3.305 2.979 1.00 13.94 C ATOM 950 C ASN A 60 12.452 1.930 3.248 1.00 14.16 C ATOM 951 O ASN A 60 13.012 1.167 3.977 1.00 14.26 O ATOM 952 CB ASN A 60 13.965 3.838 4.170 1.00 19.23 C ATOM 953 CG ASN A 60 14.755 5.086 3.695 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.629 4.889 2.870 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.417 6.322 4.112 1.00 24.09 N ATOM 0 H ASN A 60 12.124 4.695 1.667 1.00 12.38 H new ATOM 0 HA ASN A 60 13.646 3.141 2.095 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.356 4.090 5.039 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.656 3.055 4.481 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.900 7.137 3.734 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.678 6.442 4.805 1.00 24.09 H new ATOM 962 N ILE A 61 11.276 1.615 2.605 1.00 11.08 N ATOM 963 CA ILE A 61 10.689 0.265 2.658 1.00 11.78 C ATOM 964 C ILE A 61 11.518 -0.837 1.947 1.00 13.74 C ATOM 965 O ILE A 61 11.871 -0.757 0.767 1.00 14.60 O ATOM 966 CB ILE A 61 9.254 0.239 2.201 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.359 1.142 3.047 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.595 -1.179 2.433 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.270 1.896 2.202 1.00 11.42 C ATOM 0 H ILE A 61 10.736 2.283 2.055 1.00 11.08 H new ATOM 0 HA ILE A 61 10.715 0.014 3.718 1.00 11.78 H new ATOM 0 HB ILE A 61 9.306 0.540 1.155 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.866 0.542 3.811 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.978 1.873 3.566 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.560 -1.160 2.091 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.148 -1.933 1.873 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.622 -1.423 3.495 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.667 2.521 2.861 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.758 2.522 1.455 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.629 1.169 1.704 1.00 11.42 H new ATOM 981 N GLN A 62 11.837 -1.891 2.696 1.00 13.97 N ATOM 982 CA GLN A 62 12.748 -2.972 2.302 1.00 15.52 C ATOM 983 C GLN A 62 11.947 -4.214 1.945 1.00 13.94 C ATOM 984 O GLN A 62 10.735 -4.239 2.237 1.00 12.15 O ATOM 985 CB GLN A 62 13.648 -3.386 3.560 1.00 19.53 C ATOM 986 CG GLN A 62 14.461 -2.220 4.315 1.00 26.38 C ATOM 987 CD GLN A 62 15.192 -2.765 5.532 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.642 -3.457 6.346 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.456 -2.417 5.708 1.00 32.71 N ATOM 0 H GLN A 62 11.454 -2.024 3.632 1.00 13.97 H new ATOM 0 HA GLN A 62 13.349 -2.624 1.461 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.000 -3.870 4.291 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.367 -4.134 3.226 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.177 -1.768 3.629 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.773 -1.432 4.622 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.924 -1.830 5.018 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.963 -2.736 6.534 1.00 32.71 H new ATOM 998 N LYS A 63 12.633 -5.180 1.315 1.00 11.73 N ATOM 999 CA LYS A 63 12.183 -6.497 1.297 1.00 11.97 C ATOM 1000 C LYS A 63 11.735 -7.135 2.627 1.00 10.41 C ATOM 1001 O LYS A 63 12.317 -6.970 3.735 1.00 9.59 O ATOM 1002 CB LYS A 63 13.324 -7.432 0.800 1.00 13.73 C ATOM 1003 CG LYS A 63 14.669 -7.444 1.688 1.00 16.98 C ATOM 1004 CD LYS A 63 15.753 -8.355 1.036 1.00 20.19 C ATOM 1005 CE LYS A 63 16.999 -8.426 1.943 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.079 -9.171 1.270 1.00 25.97 N ATOM 0 H LYS A 63 13.510 -5.026 0.817 1.00 11.73 H new ATOM 0 HA LYS A 63 11.303 -6.419 0.658 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.937 -8.450 0.751 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.587 -7.141 -0.217 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.053 -6.429 1.789 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.444 -7.801 2.693 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.351 -9.356 0.877 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.028 -7.963 0.057 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.339 -7.419 2.186 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.745 -8.912 2.885 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.912 -9.212 1.891 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.756 -10.137 1.060 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.332 -8.690 0.383 1.00 25.97 H new ATOM 1020 N GLU A 64 10.591 -7.887 2.549 1.00 10.04 N ATOM 1021 CA GLU A 64 9.994 -8.618 3.685 1.00 10.94 C ATOM 1022 C GLU A 64 9.667 -7.705 4.857 1.00 9.74 C ATOM 1023 O GLU A 64 9.942 -8.002 6.035 1.00 9.42 O ATOM 1024 CB GLU A 64 10.772 -9.885 4.124 1.00 18.31 C ATOM 1025 CG GLU A 64 11.007 -10.841 2.935 1.00 24.16 C ATOM 1026 CD GLU A 64 11.461 -12.216 3.306 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.445 -12.552 4.505 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.814 -13.010 2.410 1.00 32.61 O ATOM 0 H GLU A 64 10.064 -7.995 1.683 1.00 10.04 H new ATOM 0 HA GLU A 64 9.049 -8.998 3.296 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.730 -9.595 4.554 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.216 -10.403 4.905 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.081 -10.922 2.366 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.750 -10.396 2.273 1.00 24.16 H new ATOM 1035 N SER A 65 9.075 -6.527 4.524 1.00 6.85 N ATOM 1036 CA SER A 65 8.595 -5.465 5.401 1.00 6.90 C ATOM 1037 C SER A 65 7.081 -5.437 5.337 1.00 4.72 C ATOM 1038 O SER A 65 6.428 -5.875 4.373 1.00 3.91 O ATOM 1039 CB SER A 65 9.171 -4.033 5.101 1.00 7.28 C ATOM 1040 OG SER A 65 9.016 -3.153 6.200 1.00 10.56 O ATOM 0 H SER A 65 8.915 -6.292 3.544 1.00 6.85 H new ATOM 0 HA SER A 65 8.958 -5.706 6.400 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.228 -4.114 4.849 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.667 -3.616 4.230 1.00 7.28 H new ATOM 0 HG SER A 65 8.366 -2.456 5.972 1.00 10.56 H new ATOM 1046 N THR A 66 6.450 -5.146 6.500 1.00 4.48 N ATOM 1047 CA THR A 66 5.038 -5.326 6.764 1.00 3.80 C ATOM 1048 C THR A 66 4.224 -3.983 6.893 1.00 4.60 C ATOM 1049 O THR A 66 4.484 -3.179 7.779 1.00 5.33 O ATOM 1050 CB THR A 66 4.791 -6.026 8.101 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.224 -7.320 7.917 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.386 -6.251 8.594 1.00 3.40 C ATOM 0 H THR A 66 6.951 -4.764 7.302 1.00 4.48 H new ATOM 0 HA THR A 66 4.707 -5.904 5.902 1.00 3.80 H new ATOM 0 HB THR A 66 5.272 -5.361 8.818 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.095 -7.829 8.744 1.00 2.15 H new ATOM 0 HG21 THR A 66 3.416 -6.761 9.557 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.882 -5.291 8.707 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.842 -6.864 7.876 1.00 3.40 H new ATOM 1060 N LEU A 67 3.329 -3.802 5.926 1.00 4.17 N ATOM 1061 CA LEU A 67 2.582 -2.598 5.630 1.00 3.85 C ATOM 1062 C LEU A 67 1.146 -2.861 5.969 1.00 3.80 C ATOM 1063 O LEU A 67 0.749 -4.001 6.267 1.00 5.54 O ATOM 1064 CB LEU A 67 2.767 -2.346 4.133 1.00 7.18 C ATOM 1065 CG LEU A 67 4.139 -1.621 3.893 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.375 -2.564 3.748 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.187 -0.859 2.643 1.00 11.66 C ATOM 0 H LEU A 67 3.094 -4.557 5.282 1.00 4.17 H new ATOM 0 HA LEU A 67 2.914 -1.728 6.196 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.741 -3.290 3.588 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.949 -1.735 3.752 1.00 7.18 H new ATOM 0 HG LEU A 67 4.195 -1.004 4.790 1.00 9.67 H new ATOM 0 HD11 LEU A 67 6.272 -1.966 3.586 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.492 -3.153 4.657 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.226 -3.232 2.900 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.163 -0.385 2.543 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.022 -1.531 1.801 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.411 -0.093 2.654 1.00 11.66 H new ATOM 1079 N HIS A 68 0.226 -1.843 5.955 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.219 -2.001 6.169 1.00 4.17 C ATOM 1081 C HIS A 68 -1.958 -1.307 5.050 1.00 5.32 C ATOM 1082 O HIS A 68 -1.418 -0.478 4.333 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.651 -1.438 7.504 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.684 -2.493 8.615 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.628 -3.253 9.003 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.738 -2.971 9.326 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.031 -4.039 10.036 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -2.358 -3.937 10.232 1.00 16.30 N ATOM 0 H HIS A 68 0.495 -0.873 5.789 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.455 -3.065 6.173 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.971 -0.636 7.792 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.641 -0.994 7.402 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.756 -2.633 9.196 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.373 -4.663 10.622 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -2.942 -4.451 10.892 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.287 -1.586 4.904 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.275 -1.065 3.972 1.00 3.97 C ATOM 1098 C LEU A 69 -5.457 -0.647 4.721 1.00 5.07 C ATOM 1099 O LEU A 69 -6.012 -1.513 5.433 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.610 -2.214 3.024 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.739 -1.995 1.981 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.408 -0.860 1.017 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.029 -3.336 1.318 1.00 9.96 C ATOM 0 H LEU A 69 -3.721 -2.269 5.525 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.909 -0.203 3.415 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.701 -2.475 2.482 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.879 -3.079 3.630 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.657 -1.658 2.462 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.223 -0.739 0.304 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.276 0.066 1.577 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.488 -1.094 0.481 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.820 -3.213 0.579 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.127 -3.702 0.827 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.347 -4.054 2.074 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.894 0.587 4.618 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.170 1.149 5.194 1.00 6.26 C ATOM 1117 C VAL A 70 -8.039 1.676 4.109 1.00 9.22 C ATOM 1118 O VAL A 70 -7.529 2.086 3.069 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.989 2.060 6.414 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.247 1.245 7.543 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.233 3.323 6.065 1.00 8.54 C ATOM 0 H VAL A 70 -5.364 1.294 4.108 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.715 0.321 5.648 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.969 2.377 6.771 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.110 1.879 8.419 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.844 0.374 7.815 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.274 0.918 7.176 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.126 3.941 6.956 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.246 3.062 5.683 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.782 3.877 5.303 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.393 1.749 4.297 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.222 1.931 3.139 1.00 16.06 C ATOM 1133 C LEU A 71 -11.273 3.054 3.370 1.00 18.09 C ATOM 1134 O LEU A 71 -11.992 3.102 4.374 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.054 0.708 2.669 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.218 -0.564 2.370 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.208 -1.708 2.201 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.232 -0.428 1.204 1.00 19.57 C ATOM 0 H LEU A 71 -9.877 1.686 5.193 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.479 2.157 2.375 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.792 0.470 3.436 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.606 0.984 1.770 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.546 -0.758 3.206 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.666 -2.630 1.988 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.784 -1.829 3.118 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.884 -1.485 1.375 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.694 -1.367 1.071 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.778 -0.191 0.291 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.522 0.370 1.419 1.00 19.57 H new