USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 7 THR OG1 : rot 180:sc= 0.168 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -159:sc= 0 (180deg=-0.361) USER MOD Single : A 1 MET N :NH3+ -158:sc= 2.44 (180deg=2.32) USER MOD Single : A 2 GLN : amide:sc= -0.0763 X(o=-0.076,f=-0.051) USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.236) USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= 0.967 (180deg=0.46) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0258 USER MOD Single : A 14 THR OG1 : rot -81:sc= 0.259 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 142:sc= 1.94 (180deg=1.4) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.28) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 41 GLN : amide:sc= 1.06 K(o=1.1,f=-4.2!) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.167) USER MOD Single : A 49 GLN : amide:sc= -0.06 K(o=-0.06,f=-0.56) USER MOD Single : A 55 THR OG1 : rot -76:sc= 1.06 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.319 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 75:sc= 1.34 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.747 -7.064 -4.657 1.00 9.67 N ATOM 2 CA MET A 1 11.737 -7.192 -3.199 1.00 10.38 C ATOM 3 C MET A 1 10.331 -7.592 -2.631 1.00 9.62 C ATOM 4 O MET A 1 9.314 -7.096 -3.109 1.00 9.62 O ATOM 5 CB MET A 1 12.153 -5.779 -2.578 1.00 13.77 C ATOM 6 CG MET A 1 12.201 -5.676 -1.081 1.00 16.29 C ATOM 7 SD MET A 1 12.535 -4.009 -0.336 1.00 17.17 S ATOM 8 CE MET A 1 10.878 -3.288 -0.457 1.00 16.11 C ATOM 0 H1 MET A 1 12.720 -7.171 -5.008 1.00 9.67 H new ATOM 0 H2 MET A 1 11.145 -7.802 -5.074 1.00 9.67 H new ATOM 0 H3 MET A 1 11.383 -6.128 -4.926 1.00 9.67 H new ATOM 0 HA MET A 1 12.434 -7.985 -2.927 1.00 10.38 H new ATOM 0 HB2 MET A 1 13.137 -5.515 -2.967 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.453 -5.029 -2.946 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.248 -6.032 -0.690 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.968 -6.362 -0.723 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.950 -2.201 -0.414 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.420 -3.584 -1.401 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.265 -3.644 0.371 1.00 16.11 H new ATOM 20 N GLN A 2 10.254 -8.425 -1.588 1.00 9.27 N ATOM 21 CA GLN A 2 9.012 -8.808 -0.994 1.00 9.07 C ATOM 22 C GLN A 2 8.624 -7.821 0.061 1.00 8.72 C ATOM 23 O GLN A 2 9.470 -7.240 0.742 1.00 8.22 O ATOM 24 CB GLN A 2 9.125 -10.176 -0.315 1.00 14.46 C ATOM 25 CG GLN A 2 7.731 -10.822 -0.022 1.00 17.01 C ATOM 26 CD GLN A 2 7.964 -12.298 0.276 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.190 -12.671 1.465 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.977 -13.109 -0.837 1.00 19.49 N ATOM 0 H GLN A 2 11.071 -8.845 -1.144 1.00 9.27 H new ATOM 0 HA GLN A 2 8.269 -8.846 -1.791 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.705 -10.846 -0.950 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.675 -10.069 0.620 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.251 -10.331 0.825 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.066 -10.704 -0.878 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.782 -12.715 -1.757 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.182 -14.104 -0.741 1.00 19.49 H new ATOM 37 N ILE A 3 7.323 -7.585 0.262 1.00 5.87 N ATOM 38 CA ILE A 3 6.627 -6.765 1.287 1.00 5.07 C ATOM 39 C ILE A 3 5.317 -7.538 1.546 1.00 4.01 C ATOM 40 O ILE A 3 5.045 -8.537 0.932 1.00 4.61 O ATOM 41 CB ILE A 3 6.267 -5.298 0.902 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.399 -5.280 -0.416 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.464 -4.379 0.919 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.657 -3.967 -0.761 1.00 10.83 C ATOM 0 H ILE A 3 6.640 -8.013 -0.363 1.00 5.87 H new ATOM 0 HA ILE A 3 7.301 -6.642 2.135 1.00 5.07 H new ATOM 0 HB ILE A 3 5.631 -4.868 1.676 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.052 -5.528 -1.253 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.658 -6.076 -0.343 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.153 -3.371 0.643 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.897 -4.364 1.919 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.208 -4.737 0.207 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.101 -4.096 -1.690 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.966 -3.718 0.044 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.381 -3.161 -0.881 1.00 10.83 H new ATOM 56 N PHE A 4 4.576 -7.138 2.578 1.00 4.55 N ATOM 57 CA PHE A 4 3.341 -7.784 2.921 1.00 4.68 C ATOM 58 C PHE A 4 2.376 -6.648 3.148 1.00 5.30 C ATOM 59 O PHE A 4 2.782 -5.580 3.480 1.00 5.58 O ATOM 60 CB PHE A 4 3.352 -8.556 4.259 1.00 4.83 C ATOM 61 CG PHE A 4 4.271 -9.728 4.188 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.645 -9.616 4.424 1.00 8.34 C ATOM 63 CD2 PHE A 4 3.741 -10.976 3.761 1.00 6.69 C ATOM 64 CE1 PHE A 4 6.540 -10.635 4.207 1.00 10.61 C ATOM 65 CE2 PHE A 4 4.603 -12.085 3.633 1.00 9.10 C ATOM 66 CZ PHE A 4 5.997 -11.848 3.787 1.00 8.90 C ATOM 0 H PHE A 4 4.826 -6.360 3.188 1.00 4.55 H new ATOM 0 HA PHE A 4 3.110 -8.499 2.131 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.665 -7.892 5.065 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.343 -8.893 4.497 1.00 4.83 H new ATOM 0 HD1 PHE A 4 6.023 -8.676 4.798 1.00 8.34 H new ATOM 0 HD2 PHE A 4 2.689 -11.074 3.537 1.00 6.69 H new ATOM 0 HE1 PHE A 4 7.602 -10.504 4.353 1.00 10.61 H new ATOM 0 HE2 PHE A 4 4.220 -13.074 3.427 1.00 9.10 H new ATOM 0 HZ PHE A 4 6.676 -12.658 3.565 1.00 8.90 H new ATOM 76 N VAL A 5 1.041 -6.931 2.941 1.00 4.44 N ATOM 77 CA VAL A 5 0.011 -5.913 3.109 1.00 3.87 C ATOM 78 C VAL A 5 -1.023 -6.516 3.911 1.00 4.93 C ATOM 79 O VAL A 5 -1.617 -7.576 3.605 1.00 6.84 O ATOM 80 CB VAL A 5 -0.501 -5.373 1.768 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.786 -4.489 1.898 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.540 -4.459 1.129 1.00 9.13 C ATOM 0 H VAL A 5 0.688 -7.847 2.663 1.00 4.44 H new ATOM 0 HA VAL A 5 0.409 -5.030 3.609 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.715 -6.264 1.177 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.090 -4.142 0.911 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.590 -5.078 2.340 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.574 -3.630 2.535 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.161 -4.084 0.178 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.745 -3.620 1.794 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.459 -5.019 0.958 1.00 9.13 H new ATOM 92 N LYS A 6 -1.314 -5.898 5.028 1.00 6.04 N ATOM 93 CA LYS A 6 -2.135 -6.406 6.091 1.00 6.12 C ATOM 94 C LYS A 6 -3.415 -5.533 6.309 1.00 6.57 C ATOM 95 O LYS A 6 -3.422 -4.333 6.532 1.00 5.76 O ATOM 96 CB LYS A 6 -1.320 -6.583 7.372 1.00 7.45 C ATOM 97 CG LYS A 6 -1.960 -7.724 8.243 1.00 11.12 C ATOM 98 CD LYS A 6 -1.152 -7.866 9.574 1.00 14.54 C ATOM 99 CE LYS A 6 -1.862 -8.808 10.537 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.867 -10.126 9.967 1.00 20.55 N ATOM 0 H LYS A 6 -0.958 -4.964 5.229 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.491 -7.393 5.797 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.287 -6.832 7.128 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.298 -5.650 7.934 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.003 -7.492 8.459 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.950 -8.666 7.695 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.152 -8.243 9.360 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.031 -6.887 10.038 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.355 -8.815 11.502 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.882 -8.469 10.715 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.145 -10.817 10.693 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.544 -10.161 9.179 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.915 -10.356 9.616 1.00 20.55 H new ATOM 114 N THR A 7 -4.627 -6.149 6.203 1.00 7.41 N ATOM 115 CA THR A 7 -5.927 -5.428 6.324 1.00 7.48 C ATOM 116 C THR A 7 -6.406 -5.487 7.754 1.00 8.75 C ATOM 117 O THR A 7 -6.057 -6.405 8.508 1.00 8.58 O ATOM 118 CB THR A 7 -6.951 -5.850 5.180 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.440 -7.136 5.542 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.316 -5.936 3.817 1.00 9.17 C ATOM 0 H THR A 7 -4.730 -7.149 6.033 1.00 7.41 H new ATOM 0 HA THR A 7 -5.807 -4.363 6.124 1.00 7.48 H new ATOM 0 HB THR A 7 -7.733 -5.095 5.106 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.080 -7.444 4.867 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.067 -6.228 3.083 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.903 -4.964 3.546 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.518 -6.678 3.834 1.00 9.17 H new ATOM 128 N LEU A 8 -7.236 -4.541 8.198 1.00 9.84 N ATOM 129 CA LEU A 8 -7.820 -4.464 9.540 1.00 14.15 C ATOM 130 C LEU A 8 -8.767 -5.601 9.851 1.00 17.37 C ATOM 131 O LEU A 8 -8.969 -5.932 10.996 1.00 17.01 O ATOM 132 CB LEU A 8 -8.394 -3.125 9.865 1.00 16.63 C ATOM 133 CG LEU A 8 -7.440 -2.008 9.619 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.139 -0.650 9.780 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.319 -2.054 10.659 1.00 18.59 C ATOM 0 H LEU A 8 -7.534 -3.769 7.602 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.976 -4.592 10.218 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.292 -2.966 9.268 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.700 -3.111 10.911 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.053 -2.119 8.606 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.424 0.152 9.596 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.959 -0.576 9.066 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.531 -0.561 10.793 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.621 -1.236 10.478 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.745 -1.954 11.657 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.791 -3.005 10.583 1.00 18.59 H new ATOM 147 N THR A 9 -9.310 -6.197 8.866 1.00 18.33 N ATOM 148 CA THR A 9 -10.106 -7.450 8.961 1.00 19.24 C ATOM 149 C THR A 9 -9.243 -8.705 8.874 1.00 19.48 C ATOM 150 O THR A 9 -9.702 -9.853 8.753 1.00 23.14 O ATOM 151 CB THR A 9 -11.154 -7.564 7.951 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.800 -7.169 6.654 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.302 -6.644 8.294 1.00 19.70 C ATOM 0 H THR A 9 -9.236 -5.847 7.911 1.00 18.33 H new ATOM 0 HA THR A 9 -10.570 -7.379 9.945 1.00 19.24 H new ATOM 0 HB THR A 9 -11.385 -8.629 7.958 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.567 -7.285 6.056 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.080 -6.735 7.536 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.710 -6.918 9.267 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.946 -5.614 8.327 1.00 19.70 H new ATOM 161 N GLY A 10 -7.900 -8.554 8.914 1.00 19.43 N ATOM 162 CA GLY A 10 -6.938 -9.660 9.143 1.00 18.74 C ATOM 163 C GLY A 10 -6.621 -10.513 7.959 1.00 17.62 C ATOM 164 O GLY A 10 -6.453 -11.701 8.098 1.00 19.74 O ATOM 0 H GLY A 10 -7.446 -7.649 8.787 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.007 -9.233 9.517 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.334 -10.301 9.931 1.00 18.74 H new ATOM 168 N LYS A 11 -6.498 -9.894 6.742 1.00 13.56 N ATOM 169 CA LYS A 11 -5.987 -10.591 5.580 1.00 11.91 C ATOM 170 C LYS A 11 -4.648 -9.987 5.258 1.00 10.18 C ATOM 171 O LYS A 11 -4.353 -8.788 5.412 1.00 9.10 O ATOM 172 CB LYS A 11 -6.942 -10.519 4.358 1.00 13.43 C ATOM 173 CG LYS A 11 -6.506 -11.332 3.080 1.00 16.69 C ATOM 174 CD LYS A 11 -7.597 -11.391 1.959 1.00 17.92 C ATOM 175 CE LYS A 11 -7.141 -12.238 0.803 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.223 -12.320 -0.226 1.00 21.93 N ATOM 0 H LYS A 11 -6.751 -8.921 6.571 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.898 -11.653 5.807 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.924 -10.874 4.670 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.057 -9.473 4.075 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.601 -10.884 2.669 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.251 -12.349 3.379 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.522 -11.797 2.369 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.819 -10.383 1.610 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.240 -11.812 0.362 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.883 -13.238 1.153 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.839 -12.729 -1.102 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.994 -12.922 0.128 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.590 -11.367 -0.421 1.00 21.93 H new ATOM 190 N THR A 12 -3.716 -10.889 4.922 1.00 9.63 N ATOM 191 CA THR A 12 -2.359 -10.542 4.557 1.00 9.85 C ATOM 192 C THR A 12 -2.129 -10.998 3.170 1.00 11.66 C ATOM 193 O THR A 12 -2.401 -12.153 2.866 1.00 12.33 O ATOM 194 CB THR A 12 -1.302 -11.234 5.376 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.467 -10.956 6.761 1.00 10.91 O ATOM 196 CG2 THR A 12 0.099 -10.620 4.977 1.00 9.63 C ATOM 0 H THR A 12 -3.898 -11.892 4.900 1.00 9.63 H new ATOM 0 HA THR A 12 -2.274 -9.466 4.709 1.00 9.85 H new ATOM 0 HB THR A 12 -1.372 -12.306 5.194 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.770 -11.418 7.273 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.886 -11.103 5.556 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.278 -10.783 3.914 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.100 -9.550 5.186 1.00 9.63 H new ATOM 204 N ILE A 13 -1.558 -10.172 2.288 1.00 10.42 N ATOM 205 CA ILE A 13 -1.263 -10.596 0.894 1.00 11.84 C ATOM 206 C ILE A 13 0.245 -10.366 0.736 1.00 10.55 C ATOM 207 O ILE A 13 0.740 -9.328 1.093 1.00 11.92 O ATOM 208 CB ILE A 13 -2.055 -9.800 -0.201 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.033 -8.281 -0.027 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.481 -10.370 -0.127 1.00 17.08 C ATOM 211 CD1 ILE A 13 -2.928 -7.598 -1.106 1.00 16.46 C ATOM 0 H ILE A 13 -1.288 -9.212 2.501 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.570 -11.631 0.744 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.591 -9.931 -1.179 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.388 -8.017 0.969 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.010 -7.914 -0.108 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.111 -9.870 -0.862 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.457 -11.439 -0.337 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.887 -10.206 0.871 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.902 -6.517 -0.969 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.554 -7.847 -2.099 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.954 -7.952 -1.005 1.00 16.46 H new ATOM 223 N THR A 14 0.943 -11.289 0.157 1.00 9.39 N ATOM 224 CA THR A 14 2.356 -11.227 -0.146 1.00 9.63 C ATOM 225 C THR A 14 2.518 -10.583 -1.518 1.00 11.20 C ATOM 226 O THR A 14 1.964 -11.032 -2.487 1.00 11.63 O ATOM 227 CB THR A 14 3.162 -12.573 -0.230 1.00 10.38 C ATOM 228 OG1 THR A 14 2.805 -13.306 0.937 1.00 16.30 O ATOM 229 CG2 THR A 14 4.693 -12.458 -0.274 1.00 11.66 C ATOM 0 H THR A 14 0.523 -12.169 -0.141 1.00 9.39 H new ATOM 0 HA THR A 14 2.765 -10.682 0.705 1.00 9.63 H new ATOM 0 HB THR A 14 2.900 -13.041 -1.179 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.323 -12.977 1.701 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.131 -13.454 -0.331 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.989 -11.880 -1.150 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.046 -11.957 0.627 1.00 11.66 H new ATOM 237 N LEU A 15 3.390 -9.588 -1.656 1.00 8.29 N ATOM 238 CA LEU A 15 3.482 -8.855 -2.874 1.00 9.03 C ATOM 239 C LEU A 15 4.976 -8.709 -3.227 1.00 8.59 C ATOM 240 O LEU A 15 5.860 -8.834 -2.374 1.00 7.79 O ATOM 241 CB LEU A 15 2.795 -7.460 -2.931 1.00 11.08 C ATOM 242 CG LEU A 15 1.371 -7.385 -2.451 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.970 -5.886 -2.458 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.366 -8.144 -3.241 1.00 15.27 C ATOM 0 H LEU A 15 4.036 -9.285 -0.927 1.00 8.29 H new ATOM 0 HA LEU A 15 2.914 -9.440 -3.597 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.390 -6.764 -2.340 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.825 -7.109 -3.962 1.00 11.08 H new ATOM 0 HG LEU A 15 1.357 -7.852 -1.466 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.060 -5.783 -2.116 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.631 -5.330 -1.793 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.057 -5.491 -3.470 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.621 -8.012 -2.797 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.355 -7.775 -4.266 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.626 -9.203 -3.239 1.00 15.27 H new ATOM 256 N GLU A 16 5.288 -8.460 -4.514 1.00 11.04 N ATOM 257 CA GLU A 16 6.643 -8.305 -4.908 1.00 11.50 C ATOM 258 C GLU A 16 6.779 -6.987 -5.682 1.00 10.13 C ATOM 259 O GLU A 16 6.068 -6.678 -6.696 1.00 9.83 O ATOM 260 CB GLU A 16 7.046 -9.411 -5.921 1.00 17.22 C ATOM 261 CG GLU A 16 8.554 -9.468 -6.317 1.00 23.33 C ATOM 262 CD GLU A 16 9.505 -9.963 -5.208 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.131 -11.049 -4.655 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.596 -9.466 -5.051 1.00 28.90 O ATOM 0 H GLU A 16 4.607 -8.368 -5.268 1.00 11.04 H new ATOM 0 HA GLU A 16 7.261 -8.343 -4.011 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.765 -10.377 -5.502 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.459 -9.274 -6.829 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.661 -10.120 -7.184 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.870 -8.472 -6.627 1.00 23.33 H new ATOM 271 N VAL A 17 7.717 -6.071 -5.287 1.00 8.99 N ATOM 272 CA VAL A 17 7.772 -4.663 -5.736 1.00 8.85 C ATOM 273 C VAL A 17 9.197 -4.332 -5.813 1.00 8.04 C ATOM 274 O VAL A 17 10.099 -5.047 -5.343 1.00 8.99 O ATOM 275 CB VAL A 17 7.099 -3.712 -4.743 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.580 -3.738 -4.867 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.533 -4.044 -3.290 1.00 10.54 C ATOM 0 H VAL A 17 8.465 -6.307 -4.635 1.00 8.99 H new ATOM 0 HA VAL A 17 7.249 -4.552 -6.686 1.00 8.85 H new ATOM 0 HB VAL A 17 7.428 -2.702 -4.987 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.144 -3.049 -4.144 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.292 -3.437 -5.874 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.216 -4.747 -4.672 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.044 -3.358 -2.598 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.245 -5.067 -3.049 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.614 -3.940 -3.201 1.00 10.54 H new ATOM 287 N GLU A 18 9.482 -3.180 -6.349 1.00 7.29 N ATOM 288 CA GLU A 18 10.841 -2.631 -6.305 1.00 7.08 C ATOM 289 C GLU A 18 10.814 -1.370 -5.418 1.00 6.45 C ATOM 290 O GLU A 18 9.794 -0.687 -5.467 1.00 5.28 O ATOM 291 CB GLU A 18 11.230 -2.090 -7.719 1.00 10.28 C ATOM 292 CG GLU A 18 11.771 -3.070 -8.667 1.00 12.65 C ATOM 293 CD GLU A 18 13.088 -3.576 -8.151 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.916 -2.812 -7.619 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.441 -4.733 -8.475 1.00 14.33 O ATOM 0 H GLU A 18 8.802 -2.588 -6.827 1.00 7.29 H new ATOM 0 HA GLU A 18 11.523 -3.405 -5.953 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.346 -1.635 -8.166 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.966 -1.297 -7.590 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.073 -3.898 -8.792 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.902 -2.612 -9.648 1.00 12.65 H new ATOM 302 N PRO A 19 11.797 -0.920 -4.734 1.00 7.24 N ATOM 303 CA PRO A 19 11.735 0.320 -3.927 1.00 7.07 C ATOM 304 C PRO A 19 11.454 1.577 -4.723 1.00 6.65 C ATOM 305 O PRO A 19 10.983 2.553 -4.162 1.00 6.37 O ATOM 306 CB PRO A 19 13.129 0.371 -3.221 1.00 7.61 C ATOM 307 CG PRO A 19 13.580 -1.126 -3.175 1.00 8.16 C ATOM 308 CD PRO A 19 12.985 -1.677 -4.467 1.00 7.49 C ATOM 0 HA PRO A 19 10.896 0.292 -3.232 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.837 0.985 -3.778 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.055 0.797 -2.221 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.665 -1.224 -3.151 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.194 -1.642 -2.296 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.695 -1.585 -5.289 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.753 -2.737 -4.364 1.00 7.49 H new ATOM 316 N SER A 20 11.614 1.583 -6.042 1.00 6.80 N ATOM 317 CA SER A 20 11.238 2.737 -6.836 1.00 6.28 C ATOM 318 C SER A 20 9.801 2.749 -7.190 1.00 8.45 C ATOM 319 O SER A 20 9.374 3.728 -7.777 1.00 7.26 O ATOM 320 CB SER A 20 11.995 2.717 -8.152 1.00 8.57 C ATOM 321 OG SER A 20 13.412 2.847 -7.928 1.00 11.13 O ATOM 0 H SER A 20 11.999 0.805 -6.577 1.00 6.80 H new ATOM 0 HA SER A 20 11.470 3.610 -6.227 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.790 1.786 -8.681 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.647 3.530 -8.790 1.00 8.57 H new ATOM 0 HG SER A 20 13.882 2.830 -8.788 1.00 11.13 H new ATOM 327 N ASP A 21 8.970 1.728 -6.959 1.00 7.50 N ATOM 328 CA ASP A 21 7.508 1.713 -7.284 1.00 7.70 C ATOM 329 C ASP A 21 6.779 2.816 -6.518 1.00 7.08 C ATOM 330 O ASP A 21 7.032 3.019 -5.363 1.00 8.11 O ATOM 331 CB ASP A 21 6.808 0.363 -7.189 1.00 11.00 C ATOM 332 CG ASP A 21 7.389 -0.670 -8.120 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.578 -0.393 -9.330 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.630 -1.827 -7.650 1.00 14.36 O ATOM 0 H ASP A 21 9.287 0.858 -6.530 1.00 7.50 H new ATOM 0 HA ASP A 21 7.454 1.924 -8.352 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.873 -0.002 -6.164 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.749 0.492 -7.414 1.00 11.00 H new ATOM 339 N THR A 22 5.853 3.558 -7.162 1.00 5.37 N ATOM 340 CA THR A 22 5.005 4.546 -6.493 1.00 6.01 C ATOM 341 C THR A 22 3.930 3.845 -5.671 1.00 8.01 C ATOM 342 O THR A 22 3.639 2.675 -5.889 1.00 8.11 O ATOM 343 CB THR A 22 4.428 5.749 -7.305 1.00 8.92 C ATOM 344 OG1 THR A 22 3.631 5.363 -8.360 1.00 10.22 O ATOM 345 CG2 THR A 22 5.553 6.555 -7.982 1.00 9.65 C ATOM 0 H THR A 22 5.678 3.482 -8.164 1.00 5.37 H new ATOM 0 HA THR A 22 5.720 5.073 -5.861 1.00 6.01 H new ATOM 0 HB THR A 22 3.866 6.318 -6.565 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.299 6.158 -8.827 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.121 7.386 -8.540 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.231 6.942 -7.222 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.104 5.908 -8.664 1.00 9.65 H new ATOM 353 N ILE A 23 3.340 4.565 -4.707 1.00 8.32 N ATOM 354 CA ILE A 23 2.231 4.035 -3.925 1.00 9.92 C ATOM 355 C ILE A 23 1.041 3.617 -4.735 1.00 10.01 C ATOM 356 O ILE A 23 0.476 2.538 -4.577 1.00 8.71 O ATOM 357 CB ILE A 23 1.875 4.888 -2.686 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.153 5.115 -1.803 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.605 4.377 -1.928 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.757 3.859 -1.263 1.00 12.30 C ATOM 0 H ILE A 23 3.617 5.514 -4.455 1.00 8.32 H new ATOM 0 HA ILE A 23 2.617 3.100 -3.520 1.00 9.92 H new ATOM 0 HB ILE A 23 1.561 5.878 -3.017 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.902 5.639 -2.396 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.893 5.767 -0.969 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.411 5.020 -1.069 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.253 4.399 -2.600 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.772 3.355 -1.586 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.634 4.105 -0.665 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.027 3.343 -0.640 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.051 3.212 -2.090 1.00 12.30 H new ATOM 372 N GLU A 24 0.649 4.437 -5.719 1.00 9.54 N ATOM 373 CA GLU A 24 -0.406 4.170 -6.669 1.00 11.81 C ATOM 374 C GLU A 24 -0.239 3.015 -7.567 1.00 11.14 C ATOM 375 O GLU A 24 -1.196 2.348 -7.890 1.00 10.62 O ATOM 376 CB GLU A 24 -0.711 5.453 -7.510 1.00 19.24 C ATOM 377 CG GLU A 24 -2.016 5.344 -8.358 1.00 27.76 C ATOM 378 CD GLU A 24 -2.474 6.560 -9.134 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.760 7.021 -10.084 1.00 36.51 O ATOM 380 OE2 GLU A 24 -3.524 7.194 -8.838 1.00 34.80 O ATOM 0 H GLU A 24 1.089 5.345 -5.870 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.245 3.884 -6.035 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.794 6.307 -6.838 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.130 5.651 -8.175 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.883 4.528 -9.068 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.825 5.054 -7.687 1.00 27.76 H new ATOM 387 N ASN A 25 1.020 2.649 -7.940 1.00 9.43 N ATOM 388 CA ASN A 25 1.481 1.429 -8.569 1.00 10.96 C ATOM 389 C ASN A 25 1.372 0.165 -7.662 1.00 9.68 C ATOM 390 O ASN A 25 1.208 -0.972 -8.105 1.00 9.33 O ATOM 391 CB ASN A 25 2.861 1.644 -9.131 1.00 16.78 C ATOM 392 CG ASN A 25 3.178 0.496 -10.094 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.755 -0.584 -9.752 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.871 0.689 -11.399 1.00 24.70 N ATOM 0 H ASN A 25 1.801 3.286 -7.780 1.00 9.43 H new ATOM 0 HA ASN A 25 0.804 1.205 -9.393 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.913 2.600 -9.651 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.596 1.678 -8.327 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.103 -0.026 -12.089 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.408 1.549 -11.692 1.00 24.70 H new ATOM 401 N VAL A 26 1.439 0.354 -6.324 1.00 6.52 N ATOM 402 CA VAL A 26 1.179 -0.679 -5.306 1.00 5.53 C ATOM 403 C VAL A 26 -0.343 -0.875 -5.229 1.00 4.42 C ATOM 404 O VAL A 26 -0.835 -1.992 -5.347 1.00 3.40 O ATOM 405 CB VAL A 26 1.889 -0.441 -3.977 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.482 -1.463 -2.896 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.395 -0.609 -4.311 1.00 8.12 C ATOM 0 H VAL A 26 1.683 1.256 -5.916 1.00 6.52 H new ATOM 0 HA VAL A 26 1.631 -1.625 -5.605 1.00 5.53 H new ATOM 0 HB VAL A 26 1.634 0.538 -3.570 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.017 -1.247 -1.971 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.409 -1.397 -2.718 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.732 -2.469 -3.233 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.987 -0.455 -3.409 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.573 -1.614 -4.694 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.684 0.123 -5.065 1.00 8.12 H new ATOM 417 N LYS A 27 -1.115 0.261 -5.216 1.00 2.64 N ATOM 418 CA LYS A 27 -2.572 0.272 -5.118 1.00 4.14 C ATOM 419 C LYS A 27 -3.202 -0.399 -6.354 1.00 5.58 C ATOM 420 O LYS A 27 -4.181 -1.084 -6.242 1.00 4.11 O ATOM 421 CB LYS A 27 -3.174 1.729 -5.040 1.00 3.97 C ATOM 422 CG LYS A 27 -2.732 2.505 -3.806 1.00 7.45 C ATOM 423 CD LYS A 27 -3.384 3.854 -3.833 1.00 9.02 C ATOM 424 CE LYS A 27 -3.355 4.610 -2.469 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.429 5.649 -2.382 1.00 15.47 N ATOM 0 H LYS A 27 -0.713 1.196 -5.275 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.805 -0.266 -4.199 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.881 2.283 -5.932 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.262 1.665 -5.048 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.012 1.967 -2.900 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.647 2.609 -3.793 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.890 4.468 -4.586 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.421 3.737 -4.148 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.475 3.895 -1.655 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.382 5.082 -2.337 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.816 5.668 -1.417 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.030 6.581 -2.614 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.188 5.420 -3.055 1.00 15.47 H new ATOM 439 N ALA A 28 -2.561 -0.184 -7.531 1.00 6.61 N ATOM 440 CA ALA A 28 -2.783 -0.911 -8.782 1.00 7.74 C ATOM 441 C ALA A 28 -2.633 -2.430 -8.714 1.00 9.17 C ATOM 442 O ALA A 28 -3.500 -3.225 -9.049 1.00 11.45 O ATOM 443 CB ALA A 28 -1.846 -0.369 -9.875 1.00 7.68 C ATOM 0 H ALA A 28 -1.845 0.536 -7.625 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.833 -0.733 -9.013 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.016 -0.914 -10.803 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.047 0.690 -10.034 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.810 -0.499 -9.563 1.00 7.68 H new ATOM 449 N LYS A 29 -1.509 -2.881 -8.147 1.00 8.96 N ATOM 450 CA LYS A 29 -1.247 -4.269 -7.802 1.00 7.90 C ATOM 451 C LYS A 29 -2.229 -4.880 -6.860 1.00 6.92 C ATOM 452 O LYS A 29 -2.709 -6.016 -7.077 1.00 6.87 O ATOM 453 CB LYS A 29 0.235 -4.411 -7.346 1.00 10.28 C ATOM 454 CG LYS A 29 0.682 -5.927 -7.149 1.00 14.94 C ATOM 455 CD LYS A 29 2.141 -6.140 -6.740 1.00 19.69 C ATOM 456 CE LYS A 29 3.073 -5.975 -7.907 1.00 22.63 C ATOM 457 NZ LYS A 29 3.298 -7.281 -8.569 1.00 24.98 N ATOM 0 H LYS A 29 -0.734 -2.262 -7.910 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.396 -4.864 -8.703 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.884 -3.940 -8.084 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.374 -3.872 -6.409 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.042 -6.380 -6.392 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.503 -6.464 -8.081 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.407 -5.429 -5.958 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.259 -7.138 -6.318 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.653 -5.265 -8.620 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.023 -5.562 -7.568 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.944 -7.155 -9.374 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.718 -7.947 -7.889 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.391 -7.659 -8.909 1.00 24.98 H new ATOM 471 N ILE A 30 -2.542 -4.199 -5.762 1.00 4.57 N ATOM 472 CA ILE A 30 -3.553 -4.598 -4.782 1.00 5.58 C ATOM 473 C ILE A 30 -4.948 -4.621 -5.470 1.00 7.26 C ATOM 474 O ILE A 30 -5.808 -5.445 -5.150 1.00 9.46 O ATOM 475 CB ILE A 30 -3.529 -3.709 -3.520 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.186 -3.845 -2.790 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.743 -4.026 -2.531 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.795 -2.589 -2.042 1.00 2.00 C ATOM 0 H ILE A 30 -2.083 -3.321 -5.519 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.324 -5.603 -4.427 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.648 -2.677 -3.852 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.242 -4.678 -2.089 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.408 -4.089 -3.513 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.681 -3.375 -1.659 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.687 -3.853 -3.047 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.690 -5.067 -2.211 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.837 -2.744 -1.546 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.710 -1.759 -2.744 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.556 -2.357 -1.297 1.00 2.00 H new ATOM 490 N GLN A 31 -5.214 -3.817 -6.500 1.00 7.06 N ATOM 491 CA GLN A 31 -6.483 -3.787 -7.267 1.00 8.67 C ATOM 492 C GLN A 31 -6.608 -5.004 -8.031 1.00 10.90 C ATOM 493 O GLN A 31 -7.632 -5.631 -7.977 1.00 9.63 O ATOM 494 CB GLN A 31 -6.668 -2.531 -8.195 1.00 9.12 C ATOM 495 CG GLN A 31 -8.013 -2.403 -9.017 1.00 10.76 C ATOM 496 CD GLN A 31 -8.156 -1.036 -9.749 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.112 -0.547 -10.258 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.343 -0.396 -9.637 1.00 14.76 N ATOM 0 H GLN A 31 -4.534 -3.140 -6.844 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.281 -3.707 -6.529 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.571 -1.641 -7.574 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.841 -2.516 -8.905 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.061 -3.208 -9.751 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.858 -2.537 -8.342 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.139 -0.869 -9.210 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.442 0.560 -9.980 1.00 14.76 H new ATOM 507 N ASP A 32 -5.587 -5.363 -8.837 1.00 10.93 N ATOM 508 CA ASP A 32 -5.680 -6.538 -9.660 1.00 14.01 C ATOM 509 C ASP A 32 -5.693 -7.792 -8.826 1.00 14.04 C ATOM 510 O ASP A 32 -6.373 -8.774 -9.195 1.00 13.39 O ATOM 511 CB ASP A 32 -4.529 -6.414 -10.679 1.00 18.01 C ATOM 512 CG ASP A 32 -4.731 -7.438 -11.764 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.632 -7.311 -12.679 1.00 25.17 O ATOM 514 OD2 ASP A 32 -4.042 -8.486 -11.780 1.00 26.29 O ATOM 0 H ASP A 32 -4.709 -4.850 -8.920 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.620 -6.614 -10.206 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.508 -5.411 -11.105 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.570 -6.570 -10.186 1.00 18.01 H new ATOM 519 N LYS A 33 -5.032 -7.846 -7.665 1.00 14.22 N ATOM 520 CA LYS A 33 -5.260 -8.984 -6.868 1.00 14.00 C ATOM 521 C LYS A 33 -6.632 -9.036 -6.187 1.00 12.37 C ATOM 522 O LYS A 33 -7.308 -10.025 -6.459 1.00 12.17 O ATOM 523 CB LYS A 33 -4.233 -8.949 -5.754 1.00 18.62 C ATOM 524 CG LYS A 33 -4.282 -10.184 -4.900 1.00 24.00 C ATOM 525 CD LYS A 33 -3.122 -10.430 -3.847 1.00 27.61 C ATOM 526 CE LYS A 33 -1.726 -10.889 -4.420 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.820 -12.340 -4.774 1.00 30.06 N ATOM 0 H LYS A 33 -4.382 -7.149 -7.301 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.200 -9.847 -7.531 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.237 -8.845 -6.184 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.405 -8.071 -5.131 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -5.226 -10.171 -4.355 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.311 -11.046 -5.567 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.972 -9.508 -3.285 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.462 -11.184 -3.137 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.463 -10.300 -5.299 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.941 -10.728 -3.682 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.908 -12.664 -5.155 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.055 -12.890 -3.923 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.562 -12.475 -5.490 1.00 30.06 H new ATOM 541 N GLU A 34 -7.085 -8.036 -5.386 1.00 10.11 N ATOM 542 CA GLU A 34 -8.219 -8.100 -4.410 1.00 10.07 C ATOM 543 C GLU A 34 -9.489 -7.290 -4.805 1.00 9.32 C ATOM 544 O GLU A 34 -10.452 -7.323 -4.031 1.00 11.61 O ATOM 545 CB GLU A 34 -7.831 -7.522 -3.032 1.00 14.77 C ATOM 546 CG GLU A 34 -6.795 -8.325 -2.219 1.00 18.75 C ATOM 547 CD GLU A 34 -7.446 -9.650 -1.812 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.498 -9.708 -1.145 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.934 -10.710 -2.213 1.00 21.95 O ATOM 0 H GLU A 34 -6.650 -7.113 -5.400 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.439 -9.168 -4.395 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.442 -6.515 -3.181 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.737 -7.428 -2.433 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.900 -8.506 -2.814 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.484 -7.765 -1.337 1.00 18.75 H new ATOM 556 N GLY A 35 -9.529 -6.562 -5.945 1.00 7.22 N ATOM 557 CA GLY A 35 -10.637 -5.751 -6.405 1.00 6.29 C ATOM 558 C GLY A 35 -10.975 -4.406 -5.794 1.00 6.93 C ATOM 559 O GLY A 35 -12.019 -3.837 -6.087 1.00 7.41 O ATOM 0 H GLY A 35 -8.739 -6.536 -6.589 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.475 -5.577 -7.469 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.532 -6.367 -6.315 1.00 6.29 H new ATOM 563 N ILE A 36 -10.073 -3.875 -4.948 1.00 5.86 N ATOM 564 CA ILE A 36 -10.263 -2.552 -4.314 1.00 6.07 C ATOM 565 C ILE A 36 -9.684 -1.394 -5.119 1.00 6.36 C ATOM 566 O ILE A 36 -8.469 -1.252 -5.337 1.00 6.18 O ATOM 567 CB ILE A 36 -9.662 -2.438 -2.872 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.886 -3.770 -2.082 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.354 -1.301 -2.042 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.300 -3.771 -0.670 1.00 9.49 C ATOM 0 H ILE A 36 -9.204 -4.340 -4.686 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.349 -2.476 -4.270 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.601 -2.220 -2.996 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.956 -3.965 -2.018 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.445 -4.592 -2.646 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.909 -1.254 -1.048 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.215 -0.345 -2.547 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.420 -1.513 -1.953 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.500 -4.731 -0.194 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.223 -3.610 -0.723 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.758 -2.973 -0.085 1.00 9.49 H new ATOM 582 N PRO A 37 -10.550 -0.422 -5.505 1.00 8.65 N ATOM 583 CA PRO A 37 -10.121 0.783 -6.170 1.00 9.18 C ATOM 584 C PRO A 37 -9.024 1.533 -5.518 1.00 9.85 C ATOM 585 O PRO A 37 -9.020 1.689 -4.301 1.00 8.51 O ATOM 586 CB PRO A 37 -11.411 1.696 -6.153 1.00 11.42 C ATOM 587 CG PRO A 37 -12.572 0.672 -6.251 1.00 9.27 C ATOM 588 CD PRO A 37 -12.036 -0.456 -5.358 1.00 8.33 C ATOM 0 HA PRO A 37 -9.721 0.517 -7.148 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.473 2.289 -5.240 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.420 2.396 -6.989 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.514 1.079 -5.883 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.746 0.341 -7.275 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.329 -0.305 -4.319 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.437 -1.422 -5.665 1.00 8.33 H new ATOM 596 N PRO A 38 -8.009 2.140 -6.277 1.00 8.71 N ATOM 597 CA PRO A 38 -7.000 2.856 -5.565 1.00 9.08 C ATOM 598 C PRO A 38 -7.476 4.017 -4.657 1.00 9.28 C ATOM 599 O PRO A 38 -6.831 4.365 -3.670 1.00 6.50 O ATOM 600 CB PRO A 38 -6.120 3.288 -6.717 1.00 10.31 C ATOM 601 CG PRO A 38 -6.058 2.067 -7.641 1.00 10.81 C ATOM 602 CD PRO A 38 -7.484 1.564 -7.537 1.00 12.00 C ATOM 0 HA PRO A 38 -6.510 2.252 -4.801 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.538 4.153 -7.232 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.127 3.573 -6.371 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.787 2.334 -8.662 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.333 1.328 -7.302 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.078 1.884 -8.393 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.517 0.475 -7.515 1.00 12.00 H new ATOM 610 N ASP A 39 -8.644 4.527 -5.057 1.00 11.20 N ATOM 611 CA ASP A 39 -9.382 5.518 -4.330 1.00 14.96 C ATOM 612 C ASP A 39 -9.756 5.211 -2.856 1.00 13.99 C ATOM 613 O ASP A 39 -9.615 6.125 -2.012 1.00 13.75 O ATOM 614 CB ASP A 39 -10.534 5.963 -5.289 1.00 24.16 C ATOM 615 CG ASP A 39 -10.017 6.656 -6.482 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.196 7.595 -6.410 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.470 6.186 -7.607 1.00 35.55 O ATOM 0 H ASP A 39 -9.101 4.242 -5.923 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.735 6.362 -4.092 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.108 5.089 -5.597 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.218 6.622 -4.754 1.00 24.16 H new ATOM 622 N GLN A 40 -10.187 3.931 -2.549 1.00 11.60 N ATOM 623 CA GLN A 40 -10.603 3.580 -1.186 1.00 10.76 C ATOM 624 C GLN A 40 -9.464 3.075 -0.342 1.00 8.01 C ATOM 625 O GLN A 40 -9.569 3.059 0.882 1.00 8.96 O ATOM 626 CB GLN A 40 -11.625 2.439 -1.165 1.00 11.14 C ATOM 627 CG GLN A 40 -12.890 2.671 -2.067 1.00 14.85 C ATOM 628 CD GLN A 40 -13.884 1.530 -2.066 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.826 0.697 -1.173 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.730 1.485 -3.162 1.00 18.16 N ATOM 0 H GLN A 40 -10.245 3.167 -3.223 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.016 4.510 -0.795 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.131 1.522 -1.485 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.953 2.282 -0.137 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.396 3.577 -1.733 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.562 2.848 -3.091 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.704 2.231 -3.857 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.379 0.706 -3.274 1.00 18.16 H new ATOM 639 N GLN A 41 -8.325 2.796 -1.048 1.00 6.52 N ATOM 640 CA GLN A 41 -7.109 2.313 -0.431 1.00 3.87 C ATOM 641 C GLN A 41 -6.421 3.399 0.367 1.00 4.79 C ATOM 642 O GLN A 41 -5.902 4.348 -0.227 1.00 6.34 O ATOM 643 CB GLN A 41 -6.122 1.554 -1.353 1.00 4.20 C ATOM 644 CG GLN A 41 -6.847 0.297 -1.960 1.00 3.20 C ATOM 645 CD GLN A 41 -5.796 -0.393 -2.712 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.607 -0.278 -2.332 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.092 -1.057 -3.873 1.00 7.13 N ATOM 0 H GLN A 41 -8.254 2.909 -2.059 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.456 1.537 0.252 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.774 2.209 -2.151 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.242 1.245 -0.788 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.262 -0.340 -1.179 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.675 0.588 -2.607 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.062 -1.147 -4.176 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.343 -1.462 -4.434 1.00 7.13 H new ATOM 656 N ARG A 42 -6.392 3.290 1.698 1.00 5.73 N ATOM 657 CA ARG A 42 -5.545 4.109 2.515 1.00 6.97 C ATOM 658 C ARG A 42 -4.520 3.205 3.110 1.00 7.15 C ATOM 659 O ARG A 42 -4.796 2.273 3.832 1.00 7.33 O ATOM 660 CB ARG A 42 -6.335 4.847 3.584 1.00 13.23 C ATOM 661 CG ARG A 42 -7.014 6.093 3.113 1.00 21.27 C ATOM 662 CD ARG A 42 -7.437 6.981 4.315 1.00 26.14 C ATOM 663 NE ARG A 42 -8.065 8.160 3.668 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.804 9.042 4.357 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.062 8.885 5.634 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.179 10.180 3.693 1.00 36.39 N ATOM 0 H ARG A 42 -6.962 2.626 2.223 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.070 4.887 1.917 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.087 4.172 3.991 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.661 5.104 4.402 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.344 6.653 2.460 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.892 5.832 2.521 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.136 6.463 4.971 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.580 7.266 4.925 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.930 8.304 2.667 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.697 8.073 6.132 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.628 9.575 6.129 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.895 10.322 2.724 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.742 10.886 4.168 1.00 36.39 H new ATOM 680 N LEU A 43 -3.232 3.546 2.900 1.00 4.65 N ATOM 681 CA LEU A 43 -2.115 2.737 3.304 1.00 3.51 C ATOM 682 C LEU A 43 -1.203 3.451 4.317 1.00 5.56 C ATOM 683 O LEU A 43 -0.981 4.656 4.203 1.00 4.19 O ATOM 684 CB LEU A 43 -1.479 2.434 1.993 1.00 3.74 C ATOM 685 CG LEU A 43 -0.358 1.407 1.992 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.950 0.021 2.383 1.00 9.55 C ATOM 687 CD2 LEU A 43 0.339 1.376 0.591 1.00 6.41 C ATOM 0 H LEU A 43 -2.958 4.411 2.435 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.381 1.835 3.856 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -2.256 2.088 1.311 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -1.086 3.365 1.583 1.00 3.74 H new ATOM 0 HG LEU A 43 0.406 1.673 2.723 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.156 -0.726 2.386 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.395 0.082 3.376 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.714 -0.265 1.660 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.141 0.638 0.600 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.391 1.110 -0.173 1.00 6.41 H new ATOM 0 HD23 LEU A 43 0.754 2.359 0.369 1.00 6.41 H new ATOM 699 N ILE A 44 -0.810 2.729 5.314 1.00 4.58 N ATOM 700 CA ILE A 44 -0.202 3.151 6.581 1.00 5.55 C ATOM 701 C ILE A 44 1.043 2.384 6.779 1.00 5.46 C ATOM 702 O ILE A 44 1.114 1.149 6.556 1.00 6.04 O ATOM 703 CB ILE A 44 -1.113 2.822 7.739 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.428 3.624 7.609 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.445 2.962 9.097 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.327 5.126 7.445 1.00 13.90 C ATOM 0 H ILE A 44 -0.908 1.714 5.279 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.020 4.225 6.541 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.359 1.761 7.685 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.977 3.230 6.754 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.031 3.424 8.495 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.159 2.710 9.881 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.409 2.288 9.153 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.106 3.989 9.232 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.327 5.552 7.367 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -1.818 5.553 8.309 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.763 5.356 6.541 1.00 13.90 H new ATOM 718 N PHE A 45 2.128 3.037 7.186 1.00 6.75 N ATOM 719 CA PHE A 45 3.429 2.509 7.527 1.00 4.70 C ATOM 720 C PHE A 45 4.251 3.546 8.308 1.00 6.34 C ATOM 721 O PHE A 45 4.520 4.654 7.854 1.00 5.45 O ATOM 722 CB PHE A 45 4.118 1.805 6.325 1.00 5.51 C ATOM 723 CG PHE A 45 5.519 1.386 6.639 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.644 2.203 6.381 1.00 5.87 C ATOM 725 CD2 PHE A 45 5.776 0.072 7.114 1.00 6.86 C ATOM 726 CE1 PHE A 45 7.977 1.751 6.661 1.00 6.64 C ATOM 727 CE2 PHE A 45 7.062 -0.361 7.421 1.00 6.68 C ATOM 728 CZ PHE A 45 8.227 0.404 7.090 1.00 6.84 C ATOM 0 H PHE A 45 2.106 4.051 7.293 1.00 6.75 H new ATOM 0 HA PHE A 45 3.320 1.684 8.231 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.535 0.930 6.037 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.126 2.479 5.468 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.497 3.188 5.964 1.00 5.87 H new ATOM 0 HD2 PHE A 45 4.949 -0.611 7.240 1.00 6.86 H new ATOM 0 HE1 PHE A 45 8.805 2.435 6.547 1.00 6.64 H new ATOM 0 HE2 PHE A 45 7.186 -1.307 7.927 1.00 6.68 H new ATOM 0 HZ PHE A 45 9.224 -0.004 7.158 1.00 6.84 H new ATOM 738 N ALA A 46 4.698 3.130 9.480 1.00 6.53 N ATOM 739 CA ALA A 46 5.578 3.880 10.365 1.00 7.15 C ATOM 740 C ALA A 46 5.048 5.232 10.782 1.00 9.00 C ATOM 741 O ALA A 46 5.723 6.290 10.715 1.00 11.15 O ATOM 742 CB ALA A 46 7.003 4.061 9.796 1.00 8.99 C ATOM 0 H ALA A 46 4.447 2.217 9.860 1.00 6.53 H new ATOM 0 HA ALA A 46 5.620 3.250 11.253 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.608 4.628 10.504 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.456 3.083 9.633 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.951 4.600 8.850 1.00 8.99 H new ATOM 748 N GLY A 47 3.785 5.328 11.208 1.00 9.35 N ATOM 749 CA GLY A 47 3.074 6.564 11.566 1.00 11.68 C ATOM 750 C GLY A 47 2.494 7.503 10.531 1.00 11.14 C ATOM 751 O GLY A 47 1.798 8.516 10.761 1.00 13.93 O ATOM 0 H GLY A 47 3.197 4.502 11.319 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.250 6.271 12.216 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.763 7.155 12.170 1.00 11.68 H new ATOM 755 N LYS A 48 2.767 7.055 9.291 1.00 10.47 N ATOM 756 CA LYS A 48 2.408 7.903 8.132 1.00 8.82 C ATOM 757 C LYS A 48 1.544 7.109 7.185 1.00 7.68 C ATOM 758 O LYS A 48 1.774 5.973 6.895 1.00 6.47 O ATOM 759 CB LYS A 48 3.587 8.397 7.343 1.00 9.74 C ATOM 760 CG LYS A 48 4.502 9.340 8.065 1.00 14.14 C ATOM 761 CD LYS A 48 5.706 9.751 7.127 1.00 16.32 C ATOM 762 CE LYS A 48 6.755 10.608 7.772 1.00 20.04 C ATOM 763 NZ LYS A 48 6.114 11.810 8.335 1.00 23.92 N ATOM 0 H LYS A 48 3.209 6.163 9.068 1.00 10.47 H new ATOM 0 HA LYS A 48 1.896 8.771 8.549 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.168 7.535 7.015 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.218 8.893 6.445 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.951 10.229 8.374 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.881 8.869 8.972 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.180 8.844 6.753 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.307 10.282 6.262 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.266 10.051 8.558 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.511 10.892 7.040 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.845 12.501 8.601 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.481 12.231 7.625 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.563 11.547 9.177 1.00 23.92 H new ATOM 777 N GLN A 49 0.569 7.844 6.688 1.00 8.89 N ATOM 778 CA GLN A 49 -0.167 7.540 5.524 1.00 7.18 C ATOM 779 C GLN A 49 0.650 7.886 4.269 1.00 8.23 C ATOM 780 O GLN A 49 1.151 8.960 4.048 1.00 9.70 O ATOM 781 CB GLN A 49 -1.484 8.357 5.523 1.00 11.67 C ATOM 782 CG GLN A 49 -2.492 7.801 4.469 1.00 15.82 C ATOM 783 CD GLN A 49 -3.853 8.377 4.734 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.414 8.147 5.792 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.397 9.174 3.776 1.00 20.67 N ATOM 0 H GLN A 49 0.269 8.714 7.127 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.391 6.473 5.515 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.936 8.325 6.514 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.266 9.403 5.306 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.164 8.061 3.462 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.528 6.713 4.522 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.894 9.340 2.905 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.308 9.606 3.929 1.00 20.67 H new ATOM 794 N LEU A 50 0.732 6.902 3.356 1.00 6.51 N ATOM 795 CA LEU A 50 1.613 6.960 2.191 1.00 7.41 C ATOM 796 C LEU A 50 0.862 7.602 1.026 1.00 8.27 C ATOM 797 O LEU A 50 -0.184 7.137 0.634 1.00 8.34 O ATOM 798 CB LEU A 50 2.102 5.548 1.814 1.00 7.13 C ATOM 799 CG LEU A 50 2.596 4.695 3.018 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.976 3.270 2.548 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.689 5.248 3.920 1.00 9.11 C ATOM 0 H LEU A 50 0.184 6.043 3.412 1.00 6.51 H new ATOM 0 HA LEU A 50 2.489 7.564 2.428 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.290 5.017 1.317 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.913 5.639 1.092 1.00 7.13 H new ATOM 0 HG LEU A 50 1.724 4.707 3.672 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.320 2.685 3.401 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.104 2.788 2.105 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.772 3.332 1.806 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.912 4.527 4.706 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.588 5.432 3.331 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.352 6.182 4.370 1.00 9.11 H new ATOM 813 N GLU A 51 1.464 8.692 0.470 1.00 9.43 N ATOM 814 CA GLU A 51 0.877 9.475 -0.620 1.00 11.90 C ATOM 815 C GLU A 51 1.103 8.866 -1.969 1.00 11.49 C ATOM 816 O GLU A 51 2.127 8.277 -2.284 1.00 9.88 O ATOM 817 CB GLU A 51 1.305 11.010 -0.522 1.00 16.56 C ATOM 818 CG GLU A 51 0.891 11.638 0.830 1.00 26.06 C ATOM 819 CD GLU A 51 1.232 13.114 0.804 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.385 13.550 0.432 1.00 32.13 O ATOM 821 OE2 GLU A 51 0.326 13.917 1.200 1.00 33.44 O ATOM 0 H GLU A 51 2.372 9.041 0.777 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.205 9.448 -0.494 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.385 11.095 -0.646 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.845 11.568 -1.338 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.177 11.500 1.000 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.411 11.144 1.651 1.00 26.06 H new ATOM 828 N ASP A 52 0.048 9.007 -2.764 1.00 12.71 N ATOM 829 CA ASP A 52 -0.132 8.333 -4.028 1.00 16.56 C ATOM 830 C ASP A 52 1.014 8.428 -5.031 1.00 15.83 C ATOM 831 O ASP A 52 1.442 7.354 -5.541 1.00 17.21 O ATOM 832 CB ASP A 52 -1.402 8.960 -4.662 1.00 21.05 C ATOM 833 CG ASP A 52 -2.626 8.615 -3.814 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.002 7.439 -3.747 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.151 9.609 -3.224 1.00 28.37 O ATOM 0 H ASP A 52 -0.732 9.621 -2.529 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.197 7.267 -3.811 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.289 10.042 -4.731 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.535 8.588 -5.678 1.00 21.05 H new ATOM 840 N GLY A 53 1.584 9.616 -5.262 1.00 15.00 N ATOM 841 CA GLY A 53 2.725 9.865 -6.205 1.00 11.77 C ATOM 842 C GLY A 53 4.113 9.624 -5.574 1.00 11.10 C ATOM 843 O GLY A 53 5.106 9.751 -6.295 1.00 11.25 O ATOM 0 H GLY A 53 1.269 10.466 -4.795 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.614 9.218 -7.075 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.672 10.893 -6.563 1.00 11.77 H new ATOM 847 N ARG A 54 4.209 9.301 -4.300 1.00 8.53 N ATOM 848 CA ARG A 54 5.476 9.077 -3.751 1.00 9.05 C ATOM 849 C ARG A 54 5.875 7.636 -3.770 1.00 8.96 C ATOM 850 O ARG A 54 5.105 6.757 -4.051 1.00 11.60 O ATOM 851 CB ARG A 54 5.665 9.541 -2.275 1.00 7.97 C ATOM 852 CG ARG A 54 5.248 11.001 -2.003 1.00 9.62 C ATOM 853 CD ARG A 54 5.652 11.553 -0.613 1.00 12.20 C ATOM 854 NE ARG A 54 4.976 12.835 -0.311 1.00 18.23 N ATOM 855 CZ ARG A 54 5.542 14.036 -0.420 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.721 14.262 -0.971 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.831 15.199 -0.168 1.00 23.38 N ATOM 0 H ARG A 54 3.424 9.196 -3.657 1.00 8.53 H new ATOM 0 HA ARG A 54 6.100 9.687 -4.404 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.087 8.885 -1.625 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.713 9.419 -2.001 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.688 11.637 -2.771 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.166 11.079 -2.107 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.402 10.821 0.155 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.732 11.695 -0.579 1.00 12.20 H new ATOM 0 HE ARG A 54 4.006 12.796 0.003 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.264 13.486 -1.350 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.088 15.212 -1.017 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.850 15.148 0.108 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.288 16.106 -0.259 1.00 23.38 H new ATOM 871 N THR A 55 7.178 7.295 -3.575 1.00 9.05 N ATOM 872 CA THR A 55 7.740 5.948 -3.677 1.00 9.03 C ATOM 873 C THR A 55 7.902 5.200 -2.356 1.00 8.15 C ATOM 874 O THR A 55 7.875 5.815 -1.266 1.00 5.91 O ATOM 875 CB THR A 55 9.053 5.713 -4.420 1.00 11.15 C ATOM 876 OG1 THR A 55 10.139 6.183 -3.676 1.00 11.95 O ATOM 877 CG2 THR A 55 8.948 6.501 -5.740 1.00 11.71 C ATOM 0 H THR A 55 7.883 7.991 -3.333 1.00 9.05 H new ATOM 0 HA THR A 55 6.932 5.564 -4.300 1.00 9.03 H new ATOM 0 HB THR A 55 9.214 4.649 -4.592 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.172 7.161 -3.727 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.864 6.369 -6.316 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.100 6.132 -6.317 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.806 7.559 -5.522 1.00 11.71 H new ATOM 885 N LEU A 56 7.980 3.900 -2.427 1.00 6.91 N ATOM 886 CA LEU A 56 8.310 2.990 -1.356 1.00 8.29 C ATOM 887 C LEU A 56 9.604 3.239 -0.641 1.00 8.05 C ATOM 888 O LEU A 56 9.656 3.219 0.584 1.00 10.17 O ATOM 889 CB LEU A 56 8.351 1.515 -1.925 1.00 6.60 C ATOM 890 CG LEU A 56 7.024 0.857 -2.179 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.229 -0.549 -2.698 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.101 0.801 -1.006 1.00 8.64 C ATOM 0 H LEU A 56 7.801 3.407 -3.302 1.00 6.91 H new ATOM 0 HA LEU A 56 7.527 3.152 -0.615 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.911 1.526 -2.860 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.911 0.895 -1.225 1.00 6.60 H new ATOM 0 HG LEU A 56 6.540 1.496 -2.917 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.260 -1.015 -2.878 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.794 -0.514 -3.630 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.781 -1.132 -1.961 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.173 0.308 -1.296 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.573 0.241 -0.198 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.883 1.813 -0.666 1.00 8.64 H new ATOM 904 N SER A 57 10.701 3.567 -1.417 1.00 8.92 N ATOM 905 CA SER A 57 11.986 4.050 -0.900 1.00 9.00 C ATOM 906 C SER A 57 11.852 5.425 -0.128 1.00 9.44 C ATOM 907 O SER A 57 12.456 5.558 0.927 1.00 10.91 O ATOM 908 CB SER A 57 13.114 4.142 -1.963 1.00 10.32 C ATOM 909 OG SER A 57 14.356 4.164 -1.249 1.00 13.59 O ATOM 0 H SER A 57 10.688 3.492 -2.434 1.00 8.92 H new ATOM 0 HA SER A 57 12.288 3.278 -0.192 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.074 3.291 -2.643 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.001 5.041 -2.570 1.00 10.32 H new ATOM 0 HG SER A 57 15.099 4.220 -1.886 1.00 13.59 H new ATOM 915 N ASP A 58 11.004 6.357 -0.631 1.00 9.11 N ATOM 916 CA ASP A 58 10.840 7.569 0.079 1.00 7.91 C ATOM 917 C ASP A 58 10.186 7.578 1.556 1.00 9.12 C ATOM 918 O ASP A 58 10.509 8.392 2.429 1.00 8.61 O ATOM 919 CB ASP A 58 9.799 8.534 -0.616 1.00 8.41 C ATOM 920 CG ASP A 58 10.310 8.846 -2.033 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.523 9.348 -2.147 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.594 8.669 -2.991 1.00 11.70 O ATOM 0 H ASP A 58 10.462 6.266 -1.490 1.00 9.11 H new ATOM 0 HA ASP A 58 11.896 7.837 0.110 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.816 8.065 -0.660 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.688 9.453 -0.040 1.00 8.41 H new ATOM 927 N TYR A 59 9.396 6.525 1.788 1.00 7.97 N ATOM 928 CA TYR A 59 8.798 6.223 3.054 1.00 8.45 C ATOM 929 C TYR A 59 9.527 5.122 3.767 1.00 10.98 C ATOM 930 O TYR A 59 9.140 4.522 4.730 1.00 12.95 O ATOM 931 CB TYR A 59 7.338 5.729 2.862 1.00 7.94 C ATOM 932 CG TYR A 59 6.417 6.878 2.527 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.305 7.964 3.445 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.649 6.935 1.344 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.503 9.058 3.121 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.746 7.952 1.082 1.00 6.52 C ATOM 937 CZ TYR A 59 4.692 8.999 1.967 1.00 6.76 C ATOM 938 OH TYR A 59 3.788 10.008 1.693 1.00 7.63 O ATOM 0 H TYR A 59 9.159 5.848 1.063 1.00 7.97 H new ATOM 0 HA TYR A 59 8.838 7.143 3.637 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.304 4.986 2.065 1.00 7.94 H new ATOM 0 HB3 TYR A 59 6.995 5.236 3.772 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.837 7.939 4.384 1.00 4.59 H new ATOM 0 HD2 TYR A 59 5.771 6.151 0.611 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.502 9.939 3.745 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.107 7.922 0.212 1.00 6.52 H new ATOM 0 HH TYR A 59 4.123 10.855 2.055 1.00 7.63 H new ATOM 948 N ASN A 60 10.711 4.838 3.203 1.00 12.38 N ATOM 949 CA ASN A 60 11.759 3.977 3.656 1.00 13.94 C ATOM 950 C ASN A 60 11.220 2.558 3.953 1.00 14.16 C ATOM 951 O ASN A 60 11.506 1.943 5.009 1.00 14.26 O ATOM 952 CB ASN A 60 12.464 4.374 5.005 1.00 19.23 C ATOM 953 CG ASN A 60 13.317 5.591 4.559 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.812 6.700 4.542 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.661 5.428 4.360 1.00 24.09 N ATOM 0 H ASN A 60 10.963 5.270 2.314 1.00 12.38 H new ATOM 0 HA ASN A 60 12.470 4.048 2.833 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.746 4.638 5.781 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.078 3.565 5.401 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.254 6.241 4.195 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.069 4.494 4.377 1.00 24.09 H new ATOM 962 N ILE A 61 10.411 1.955 3.087 1.00 11.08 N ATOM 963 CA ILE A 61 9.811 0.654 3.203 1.00 11.78 C ATOM 964 C ILE A 61 10.855 -0.390 2.746 1.00 13.74 C ATOM 965 O ILE A 61 11.324 -0.441 1.607 1.00 14.60 O ATOM 966 CB ILE A 61 8.510 0.560 2.463 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.436 1.424 3.161 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.070 -0.902 2.241 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.265 1.816 2.313 1.00 11.42 C ATOM 0 H ILE A 61 10.143 2.414 2.216 1.00 11.08 H new ATOM 0 HA ILE A 61 9.542 0.455 4.240 1.00 11.78 H new ATOM 0 HB ILE A 61 8.651 0.967 1.462 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.066 0.879 4.029 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.912 2.331 3.533 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.123 -0.919 1.701 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.829 -1.426 1.659 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.947 -1.395 3.205 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.575 2.419 2.902 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.613 2.395 1.457 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.754 0.920 1.961 1.00 11.42 H new ATOM 981 N GLN A 62 11.282 -1.214 3.744 1.00 13.97 N ATOM 982 CA GLN A 62 12.443 -2.073 3.600 1.00 15.52 C ATOM 983 C GLN A 62 12.046 -3.452 3.291 1.00 13.94 C ATOM 984 O GLN A 62 10.824 -3.717 3.361 1.00 12.15 O ATOM 985 CB GLN A 62 13.302 -2.053 4.916 1.00 19.53 C ATOM 986 CG GLN A 62 14.320 -0.912 4.931 1.00 26.38 C ATOM 987 CD GLN A 62 15.100 -0.788 6.259 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.331 0.340 6.665 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.517 -1.875 6.974 1.00 32.71 N ATOM 0 H GLN A 62 10.822 -1.285 4.652 1.00 13.97 H new ATOM 0 HA GLN A 62 13.040 -1.691 2.772 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.640 -1.957 5.777 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.825 -3.004 5.020 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.029 -1.060 4.117 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.802 0.027 4.736 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.322 -2.816 6.632 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.023 -1.746 7.850 1.00 32.71 H new ATOM 998 N LYS A 63 13.023 -4.402 2.901 1.00 11.73 N ATOM 999 CA LYS A 63 12.722 -5.807 2.735 1.00 11.97 C ATOM 1000 C LYS A 63 11.780 -6.463 3.747 1.00 10.41 C ATOM 1001 O LYS A 63 11.930 -6.308 4.973 1.00 9.59 O ATOM 1002 CB LYS A 63 14.031 -6.728 2.735 1.00 13.73 C ATOM 1003 CG LYS A 63 13.827 -8.205 2.346 1.00 16.98 C ATOM 1004 CD LYS A 63 15.154 -8.956 2.194 1.00 20.19 C ATOM 1005 CE LYS A 63 14.969 -10.425 1.762 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.174 -11.166 2.029 1.00 25.97 N ATOM 0 H LYS A 63 13.996 -4.162 2.712 1.00 11.73 H new ATOM 0 HA LYS A 63 12.213 -5.766 1.772 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.757 -6.291 2.049 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.473 -6.694 3.731 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.219 -8.697 3.105 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.273 -8.258 1.409 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.774 -8.442 1.459 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.692 -8.927 3.141 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.131 -10.869 2.299 1.00 23.42 H new ATOM 0 HE3 LYS A 63 14.728 -10.474 0.700 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.045 -12.156 1.736 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.964 -10.748 1.497 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.385 -11.131 3.047 1.00 25.97 H new ATOM 1020 N GLU A 64 10.678 -7.077 3.285 1.00 10.04 N ATOM 1021 CA GLU A 64 9.721 -7.787 4.119 1.00 10.94 C ATOM 1022 C GLU A 64 8.969 -6.972 5.172 1.00 9.74 C ATOM 1023 O GLU A 64 8.407 -7.480 6.121 1.00 9.42 O ATOM 1024 CB GLU A 64 10.410 -9.065 4.665 1.00 18.31 C ATOM 1025 CG GLU A 64 10.602 -10.200 3.598 1.00 24.16 C ATOM 1026 CD GLU A 64 11.144 -11.482 4.102 1.00 29.00 C ATOM 1027 OE1 GLU A 64 10.463 -12.136 4.931 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.274 -11.869 3.717 1.00 31.72 O ATOM 0 H GLU A 64 10.431 -7.088 2.295 1.00 10.04 H new ATOM 0 HA GLU A 64 8.883 -8.058 3.477 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.385 -8.794 5.069 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.819 -9.457 5.493 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.638 -10.396 3.128 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.267 -9.829 2.818 1.00 24.16 H new ATOM 1035 N SER A 65 8.838 -5.678 4.849 1.00 6.85 N ATOM 1036 CA SER A 65 8.003 -4.747 5.619 1.00 6.90 C ATOM 1037 C SER A 65 6.556 -5.132 5.529 1.00 4.72 C ATOM 1038 O SER A 65 6.083 -5.520 4.431 1.00 3.91 O ATOM 1039 CB SER A 65 8.167 -3.322 5.019 1.00 7.28 C ATOM 1040 OG SER A 65 9.403 -2.683 5.404 1.00 10.56 O ATOM 0 H SER A 65 9.306 -5.249 4.050 1.00 6.85 H new ATOM 0 HA SER A 65 8.316 -4.775 6.663 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.121 -3.385 3.932 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.330 -2.702 5.338 1.00 7.28 H new ATOM 0 HG SER A 65 10.147 -3.082 4.906 1.00 10.56 H new ATOM 1046 N THR A 66 5.790 -4.958 6.630 1.00 4.48 N ATOM 1047 CA THR A 66 4.385 -5.181 6.635 1.00 3.80 C ATOM 1048 C THR A 66 3.737 -3.819 6.621 1.00 4.60 C ATOM 1049 O THR A 66 4.114 -2.950 7.437 1.00 5.33 O ATOM 1050 CB THR A 66 3.824 -6.031 7.748 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.386 -7.311 7.602 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.322 -6.186 7.702 1.00 3.40 C ATOM 0 H THR A 66 6.163 -4.656 7.530 1.00 4.48 H new ATOM 0 HA THR A 66 4.159 -5.783 5.755 1.00 3.80 H new ATOM 0 HB THR A 66 4.065 -5.544 8.693 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.048 -7.899 8.310 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.995 -6.810 8.534 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.853 -5.205 7.777 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.033 -6.655 6.761 1.00 3.40 H new ATOM 1060 N LEU A 67 2.727 -3.620 5.814 1.00 4.17 N ATOM 1061 CA LEU A 67 2.077 -2.307 5.618 1.00 3.85 C ATOM 1062 C LEU A 67 0.588 -2.551 6.065 1.00 3.80 C ATOM 1063 O LEU A 67 0.134 -3.674 5.986 1.00 5.54 O ATOM 1064 CB LEU A 67 2.108 -1.747 4.187 1.00 7.18 C ATOM 1065 CG LEU A 67 3.386 -1.915 3.345 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.128 -1.677 1.837 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.304 -0.783 3.881 1.00 11.66 C ATOM 0 H LEU A 67 2.310 -4.365 5.256 1.00 4.17 H new ATOM 0 HA LEU A 67 2.617 -1.552 6.190 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.288 -2.208 3.636 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.892 -0.680 4.247 1.00 7.18 H new ATOM 0 HG LEU A 67 3.797 -2.921 3.428 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.058 -1.807 1.284 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.389 -2.393 1.477 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.755 -0.664 1.687 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.255 -0.804 3.349 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.821 0.182 3.724 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.480 -0.931 4.946 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.092 -1.430 6.466 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.420 -1.628 6.961 1.00 4.17 C ATOM 1081 C HIS A 68 -2.368 -0.861 6.061 1.00 5.32 C ATOM 1082 O HIS A 68 -2.242 0.325 5.659 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.630 -1.279 8.472 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.952 -2.351 9.366 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.381 -2.481 9.499 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.478 -3.289 10.173 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.637 -3.493 10.333 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.496 -4.017 10.827 1.00 16.30 N ATOM 0 H HIS A 68 0.254 -0.471 6.447 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.628 -2.698 6.929 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.211 -0.296 8.688 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.695 -1.228 8.697 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.538 -3.455 10.297 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.628 -3.844 10.578 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.607 -4.764 11.512 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.446 -1.561 5.673 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.407 -1.126 4.669 1.00 3.97 C ATOM 1098 C LEU A 69 -5.695 -0.769 5.353 1.00 5.07 C ATOM 1099 O LEU A 69 -6.468 -1.618 5.834 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.622 -2.139 3.524 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.605 -1.775 2.376 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.204 -0.524 1.615 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.831 -2.953 1.377 1.00 9.96 C ATOM 0 H LEU A 69 -3.672 -2.474 6.068 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.994 -0.247 4.175 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.650 -2.340 3.074 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.966 -3.072 3.970 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.548 -1.568 2.881 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.933 -0.327 0.828 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.171 0.324 2.300 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.220 -0.669 1.170 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.526 -2.641 0.597 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.880 -3.234 0.924 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.245 -3.808 1.911 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.886 0.530 5.410 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.003 1.173 6.163 1.00 6.26 C ATOM 1117 C VAL A 70 -7.931 1.490 5.042 1.00 9.22 C ATOM 1118 O VAL A 70 -7.556 1.642 3.881 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.535 2.474 6.787 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.619 3.201 7.563 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.452 2.127 7.783 1.00 8.54 C ATOM 0 H VAL A 70 -5.278 1.199 4.938 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.416 0.564 6.968 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.208 3.125 5.976 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.212 4.122 7.981 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.446 3.440 6.895 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -7.978 2.564 8.371 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.087 3.039 8.256 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.858 1.461 8.544 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.629 1.631 7.268 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.227 1.489 5.263 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.161 1.703 4.160 1.00 16.06 C ATOM 1133 C LEU A 71 -11.026 2.851 4.409 1.00 18.09 C ATOM 1134 O LEU A 71 -11.732 2.910 5.395 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.020 0.455 3.939 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.292 -0.681 3.213 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.255 -1.890 3.106 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.744 -0.371 1.854 1.00 19.57 C ATOM 0 H LEU A 71 -9.660 1.346 6.175 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.571 1.903 3.265 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.369 0.090 4.905 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.904 0.732 3.365 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.410 -0.884 3.820 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.754 -2.710 2.591 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.546 -2.213 4.106 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.144 -1.599 2.546 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.254 -1.256 1.449 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.558 -0.072 1.193 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.021 0.441 1.930 1.00 19.57 H new