USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 114:sc= 0.453 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.412 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -122:sc= 0.657 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.592 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0527 (180deg=-0.126) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.24 (180deg=1.2) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -106:sc= 0.968 (180deg=-0.682!) USER MOD Single : A 14 THR OG1 : rot -67:sc= 0.363 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0707 USER MOD Single : A 25 ASN : amide:sc= 0.165 K(o=0.16,f=-2!) USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= 1.92 (180deg=1.47) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.247 K(o=-0.25,f=-1.9!) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= -0.0171 (180deg=-0.0953) USER MOD Single : A 40 GLN : amide:sc= -0.0394 K(o=-0.039,f=-1.7!) USER MOD Single : A 41 GLN : amide:sc= 0.296 K(o=0.3,f=-6.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 55 THR OG1 : rot -61:sc= 1.28 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.553 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+ 149:sc= 1.13 (180deg=0.922) USER MOD Single : A 65 SER OG : rot 81:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 1.47 K(o=1.5,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.309 -6.570 -4.101 1.00 9.67 N ATOM 2 CA MET A 1 11.898 -7.181 -2.873 1.00 10.38 C ATOM 3 C MET A 1 10.505 -7.753 -2.831 1.00 9.62 C ATOM 4 O MET A 1 9.758 -7.644 -3.799 1.00 9.62 O ATOM 5 CB MET A 1 11.952 -6.100 -1.687 1.00 13.77 C ATOM 6 CG MET A 1 11.086 -4.851 -1.732 1.00 16.29 C ATOM 7 SD MET A 1 11.546 -3.680 -0.377 1.00 17.17 S ATOM 8 CE MET A 1 10.464 -2.332 -0.841 1.00 16.11 C ATOM 0 H1 MET A 1 13.263 -6.171 -3.988 1.00 9.67 H new ATOM 0 H2 MET A 1 12.319 -7.284 -4.857 1.00 9.67 H new ATOM 0 H3 MET A 1 11.644 -5.810 -4.351 1.00 9.67 H new ATOM 0 HA MET A 1 12.595 -8.012 -2.768 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.709 -6.625 -0.764 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.987 -5.769 -1.602 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.200 -4.359 -2.698 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.036 -5.128 -1.638 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.779 -1.421 -0.332 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.513 -2.181 -1.919 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.440 -2.572 -0.554 1.00 16.11 H new ATOM 20 N GLN A 2 10.145 -8.329 -1.705 1.00 9.27 N ATOM 21 CA GLN A 2 8.744 -8.505 -1.442 1.00 9.07 C ATOM 22 C GLN A 2 8.335 -7.683 -0.221 1.00 8.72 C ATOM 23 O GLN A 2 9.121 -7.379 0.669 1.00 8.22 O ATOM 24 CB GLN A 2 8.475 -9.983 -1.188 1.00 14.46 C ATOM 25 CG GLN A 2 9.330 -10.708 -0.099 1.00 17.01 C ATOM 26 CD GLN A 2 8.842 -12.069 0.298 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.764 -12.424 1.491 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.570 -12.952 -0.728 1.00 19.49 N ATOM 0 H GLN A 2 10.780 -8.671 -0.984 1.00 9.27 H new ATOM 0 HA GLN A 2 8.162 -8.166 -2.299 1.00 9.07 H new ATOM 0 HB2 GLN A 2 7.425 -10.089 -0.914 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.614 -10.514 -2.130 1.00 14.46 H new ATOM 0 HG2 GLN A 2 10.353 -10.799 -0.465 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.365 -10.079 0.790 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.639 -12.644 -1.698 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.300 -13.913 -0.516 1.00 19.49 H new ATOM 37 N ILE A 3 7.043 -7.381 -0.135 1.00 5.87 N ATOM 38 CA ILE A 3 6.535 -6.700 1.053 1.00 5.07 C ATOM 39 C ILE A 3 5.211 -7.369 1.424 1.00 4.01 C ATOM 40 O ILE A 3 4.654 -8.098 0.568 1.00 4.61 O ATOM 41 CB ILE A 3 6.398 -5.188 0.934 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.733 -4.754 -0.395 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.776 -4.675 1.182 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.381 -3.304 -0.504 1.00 10.83 C ATOM 0 H ILE A 3 6.346 -7.589 -0.850 1.00 5.87 H new ATOM 0 HA ILE A 3 7.277 -6.809 1.844 1.00 5.07 H new ATOM 0 HB ILE A 3 5.709 -4.753 1.658 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.404 -5.008 -1.215 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.825 -5.340 -0.533 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.776 -3.587 1.116 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.104 -4.979 2.176 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.456 -5.084 0.435 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.922 -3.113 -1.474 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.680 -3.039 0.288 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.284 -2.702 -0.405 1.00 10.83 H new ATOM 56 N PHE A 4 4.741 -7.122 2.635 1.00 4.55 N ATOM 57 CA PHE A 4 3.438 -7.569 3.093 1.00 4.68 C ATOM 58 C PHE A 4 2.450 -6.402 3.237 1.00 5.30 C ATOM 59 O PHE A 4 2.719 -5.317 3.686 1.00 5.58 O ATOM 60 CB PHE A 4 3.588 -8.321 4.409 1.00 4.83 C ATOM 61 CG PHE A 4 4.695 -9.406 4.330 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.627 -10.323 3.262 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.755 -9.439 5.229 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.639 -11.381 3.162 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.766 -10.385 5.037 1.00 10.61 C ATOM 66 CZ PHE A 4 6.773 -11.362 4.005 1.00 8.90 C ATOM 0 H PHE A 4 5.262 -6.597 3.337 1.00 4.55 H new ATOM 0 HA PHE A 4 3.025 -8.241 2.341 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.826 -7.616 5.205 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.639 -8.789 4.671 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.840 -10.248 2.526 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.796 -8.748 6.058 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.517 -12.177 2.442 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.601 -10.373 5.722 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.596 -12.049 3.873 1.00 8.90 H new ATOM 76 N VAL A 5 1.224 -6.654 2.897 1.00 4.44 N ATOM 77 CA VAL A 5 0.130 -5.664 2.960 1.00 3.87 C ATOM 78 C VAL A 5 -1.076 -6.367 3.654 1.00 4.93 C ATOM 79 O VAL A 5 -1.498 -7.427 3.216 1.00 6.84 O ATOM 80 CB VAL A 5 -0.271 -5.164 1.590 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.364 -4.095 1.672 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.883 -4.556 0.799 1.00 9.13 C ATOM 0 H VAL A 5 0.923 -7.567 2.557 1.00 4.44 H new ATOM 0 HA VAL A 5 0.460 -4.788 3.518 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.629 -6.056 1.077 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.624 -3.762 0.667 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.247 -4.514 2.155 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.001 -3.247 2.252 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.521 -4.219 -0.172 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.293 -3.708 1.347 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.661 -5.306 0.656 1.00 9.13 H new ATOM 92 N LYS A 6 -1.567 -5.731 4.774 1.00 6.04 N ATOM 93 CA LYS A 6 -2.376 -6.363 5.776 1.00 6.12 C ATOM 94 C LYS A 6 -3.693 -5.650 6.067 1.00 6.57 C ATOM 95 O LYS A 6 -3.750 -4.451 6.377 1.00 5.76 O ATOM 96 CB LYS A 6 -1.586 -6.350 7.099 1.00 7.45 C ATOM 97 CG LYS A 6 -2.156 -7.102 8.293 1.00 11.12 C ATOM 98 CD LYS A 6 -2.224 -8.664 8.208 1.00 14.54 C ATOM 99 CE LYS A 6 -2.417 -9.221 9.629 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.029 -10.664 9.615 1.00 20.55 N ATOM 0 H LYS A 6 -1.384 -4.747 4.970 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.608 -7.358 5.395 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.594 -6.753 6.896 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.453 -5.310 7.395 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.562 -6.840 9.168 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.166 -6.732 8.471 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -3.048 -8.973 7.565 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.309 -9.060 7.767 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.805 -8.668 10.342 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.454 -9.108 9.945 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.834 -11.243 9.930 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.759 -10.942 8.650 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.224 -10.813 10.256 1.00 20.55 H new ATOM 114 N THR A 7 -4.787 -6.368 6.013 1.00 7.41 N ATOM 115 CA THR A 7 -6.100 -5.836 6.030 1.00 7.48 C ATOM 116 C THR A 7 -6.754 -5.782 7.380 1.00 8.75 C ATOM 117 O THR A 7 -6.433 -6.445 8.326 1.00 8.58 O ATOM 118 CB THR A 7 -7.020 -6.479 4.991 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.528 -7.758 5.320 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.133 -6.750 3.741 1.00 9.17 C ATOM 0 H THR A 7 -4.770 -7.386 5.953 1.00 7.41 H new ATOM 0 HA THR A 7 -5.949 -4.795 5.745 1.00 7.48 H new ATOM 0 HB THR A 7 -7.863 -5.797 4.878 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.500 -7.704 5.436 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.737 -7.211 2.960 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.723 -5.809 3.375 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.317 -7.420 4.012 1.00 9.17 H new ATOM 128 N LEU A 8 -7.709 -4.812 7.614 1.00 9.84 N ATOM 129 CA LEU A 8 -8.544 -4.696 8.842 1.00 14.15 C ATOM 130 C LEU A 8 -9.329 -5.993 9.165 1.00 17.37 C ATOM 131 O LEU A 8 -9.344 -6.430 10.295 1.00 17.01 O ATOM 132 CB LEU A 8 -9.614 -3.534 8.600 1.00 16.63 C ATOM 133 CG LEU A 8 -10.373 -3.164 9.882 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.335 -2.797 10.974 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.457 -2.099 9.723 1.00 18.59 C ATOM 0 H LEU A 8 -7.913 -4.081 6.932 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.874 -4.492 9.677 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.106 -2.650 8.213 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.326 -3.852 7.838 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.948 -4.041 10.179 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.854 -2.530 11.895 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.684 -3.651 11.159 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.736 -1.951 10.637 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.929 -1.914 10.688 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.009 -1.176 9.355 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.207 -2.447 9.013 1.00 18.59 H new ATOM 147 N THR A 9 -9.742 -6.769 8.151 1.00 18.33 N ATOM 148 CA THR A 9 -10.335 -8.048 8.221 1.00 19.24 C ATOM 149 C THR A 9 -9.262 -9.166 8.313 1.00 19.48 C ATOM 150 O THR A 9 -9.546 -10.354 8.212 1.00 23.14 O ATOM 151 CB THR A 9 -11.217 -8.321 7.029 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.417 -8.247 5.837 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.349 -7.251 6.897 1.00 19.70 C ATOM 0 H THR A 9 -9.645 -6.457 7.185 1.00 18.33 H new ATOM 0 HA THR A 9 -10.944 -8.054 9.125 1.00 19.24 H new ATOM 0 HB THR A 9 -11.665 -9.306 7.161 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.979 -8.424 5.054 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.965 -7.479 6.027 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.968 -7.264 7.794 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.904 -6.263 6.777 1.00 19.70 H new ATOM 161 N GLY A 10 -7.909 -8.883 8.494 1.00 19.43 N ATOM 162 CA GLY A 10 -6.855 -9.778 8.983 1.00 18.74 C ATOM 163 C GLY A 10 -6.067 -10.454 7.880 1.00 17.62 C ATOM 164 O GLY A 10 -4.978 -10.996 8.113 1.00 19.74 O ATOM 0 H GLY A 10 -7.539 -7.957 8.279 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.169 -9.208 9.610 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.305 -10.542 9.616 1.00 18.74 H new ATOM 168 N LYS A 11 -6.571 -10.402 6.665 1.00 13.56 N ATOM 169 CA LYS A 11 -5.931 -10.965 5.464 1.00 11.91 C ATOM 170 C LYS A 11 -4.570 -10.352 5.207 1.00 10.18 C ATOM 171 O LYS A 11 -4.345 -9.131 5.191 1.00 9.10 O ATOM 172 CB LYS A 11 -6.895 -10.952 4.261 1.00 13.43 C ATOM 173 CG LYS A 11 -6.424 -11.741 3.043 1.00 16.69 C ATOM 174 CD LYS A 11 -7.305 -11.401 1.823 1.00 17.92 C ATOM 175 CE LYS A 11 -6.984 -12.325 0.644 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.799 -12.035 -0.560 1.00 21.93 N ATOM 0 H LYS A 11 -7.466 -9.955 6.465 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.717 -12.019 5.642 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.857 -11.351 4.582 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.063 -9.918 3.961 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.382 -11.505 2.827 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.472 -12.810 3.251 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.357 -11.498 2.091 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.145 -10.363 1.531 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.928 -12.230 0.392 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.148 -13.360 0.946 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.521 -12.774 -0.677 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.264 -11.111 -0.450 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.184 -12.016 -1.399 1.00 21.93 H new ATOM 190 N THR A 12 -3.539 -11.174 4.943 1.00 9.63 N ATOM 191 CA THR A 12 -2.112 -10.814 4.758 1.00 9.85 C ATOM 192 C THR A 12 -1.876 -11.088 3.273 1.00 11.66 C ATOM 193 O THR A 12 -1.751 -12.246 2.881 1.00 12.33 O ATOM 194 CB THR A 12 -1.064 -11.653 5.484 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.235 -11.617 6.894 1.00 10.91 O ATOM 196 CG2 THR A 12 0.422 -11.220 5.199 1.00 9.63 C ATOM 0 H THR A 12 -3.685 -12.179 4.845 1.00 9.63 H new ATOM 0 HA THR A 12 -1.986 -9.803 5.144 1.00 9.85 H new ATOM 0 HB THR A 12 -1.226 -12.656 5.088 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.546 -12.168 7.321 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.102 -11.867 5.753 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.628 -11.306 4.132 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.567 -10.187 5.514 1.00 9.63 H new ATOM 204 N ILE A 13 -1.763 -10.038 2.462 1.00 10.42 N ATOM 205 CA ILE A 13 -1.306 -10.160 1.094 1.00 11.84 C ATOM 206 C ILE A 13 0.228 -9.944 1.031 1.00 10.55 C ATOM 207 O ILE A 13 0.867 -9.012 1.623 1.00 11.92 O ATOM 208 CB ILE A 13 -2.029 -9.134 0.261 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.536 -9.128 0.356 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.604 -9.345 -1.251 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.095 -8.244 1.447 1.00 16.46 C ATOM 0 H ILE A 13 -1.987 -9.083 2.742 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.519 -11.156 0.707 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.731 -8.167 0.665 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.946 -8.805 -0.601 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.880 -10.149 0.522 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.114 -8.614 -1.878 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.526 -9.216 -1.347 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -1.879 -10.350 -1.569 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.183 -8.302 1.441 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.719 -8.578 2.414 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.786 -7.213 1.274 1.00 16.46 H new ATOM 223 N THR A 14 0.962 -10.727 0.205 1.00 9.39 N ATOM 224 CA THR A 14 2.306 -10.476 -0.157 1.00 9.63 C ATOM 225 C THR A 14 2.323 -9.841 -1.546 1.00 11.20 C ATOM 226 O THR A 14 1.654 -10.260 -2.515 1.00 11.63 O ATOM 227 CB THR A 14 3.181 -11.751 -0.348 1.00 10.38 C ATOM 228 OG1 THR A 14 3.268 -12.470 0.901 1.00 16.30 O ATOM 229 CG2 THR A 14 4.631 -11.423 -0.742 1.00 11.66 C ATOM 0 H THR A 14 0.586 -11.573 -0.223 1.00 9.39 H new ATOM 0 HA THR A 14 2.702 -9.868 0.657 1.00 9.63 H new ATOM 0 HB THR A 14 2.703 -12.328 -1.140 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.779 -11.941 1.548 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.194 -12.349 -0.861 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.637 -10.871 -1.682 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.092 -10.816 0.038 1.00 11.66 H new ATOM 237 N LEU A 15 3.053 -8.790 -1.740 1.00 8.29 N ATOM 238 CA LEU A 15 3.321 -8.248 -3.018 1.00 9.03 C ATOM 239 C LEU A 15 4.833 -8.232 -3.334 1.00 8.59 C ATOM 240 O LEU A 15 5.616 -8.278 -2.433 1.00 7.79 O ATOM 241 CB LEU A 15 2.900 -6.756 -3.091 1.00 11.08 C ATOM 242 CG LEU A 15 1.426 -6.476 -3.038 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.172 -5.005 -3.190 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.701 -7.279 -4.083 1.00 15.27 C ATOM 0 H LEU A 15 3.492 -8.272 -0.979 1.00 8.29 H new ATOM 0 HA LEU A 15 2.767 -8.877 -3.715 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.379 -6.225 -2.268 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.295 -6.334 -4.015 1.00 11.08 H new ATOM 0 HG LEU A 15 1.039 -6.780 -2.065 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.099 -4.815 -3.150 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.667 -4.465 -2.383 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.565 -4.665 -4.148 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.366 -7.064 -4.031 1.00 15.27 H new ATOM 0 HD22 LEU A 15 1.077 -7.014 -5.071 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.866 -8.342 -3.905 1.00 15.27 H new ATOM 256 N GLU A 16 5.247 -8.158 -4.634 1.00 11.04 N ATOM 257 CA GLU A 16 6.651 -7.964 -5.065 1.00 11.50 C ATOM 258 C GLU A 16 6.968 -6.670 -5.769 1.00 10.13 C ATOM 259 O GLU A 16 6.304 -6.427 -6.763 1.00 9.83 O ATOM 260 CB GLU A 16 7.107 -9.111 -6.022 1.00 17.22 C ATOM 261 CG GLU A 16 7.127 -10.447 -5.299 1.00 23.33 C ATOM 262 CD GLU A 16 7.474 -11.657 -6.201 1.00 26.99 C ATOM 263 OE1 GLU A 16 6.692 -11.960 -7.145 1.00 28.90 O ATOM 264 OE2 GLU A 16 8.627 -12.131 -6.071 1.00 28.86 O ATOM 0 H GLU A 16 4.598 -8.234 -5.418 1.00 11.04 H new ATOM 0 HA GLU A 16 7.187 -7.956 -4.116 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.433 -9.166 -6.877 1.00 17.22 H new ATOM 0 HB3 GLU A 16 8.100 -8.890 -6.413 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.851 -10.396 -4.486 1.00 23.33 H new ATOM 0 HG3 GLU A 16 6.150 -10.616 -4.845 1.00 23.33 H new ATOM 271 N VAL A 17 7.928 -5.856 -5.239 1.00 8.99 N ATOM 272 CA VAL A 17 8.117 -4.507 -5.635 1.00 8.85 C ATOM 273 C VAL A 17 9.564 -4.124 -5.646 1.00 8.04 C ATOM 274 O VAL A 17 10.362 -4.728 -4.946 1.00 8.99 O ATOM 275 CB VAL A 17 7.433 -3.552 -4.683 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.899 -3.922 -4.608 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.961 -3.598 -3.271 1.00 10.54 C ATOM 0 H VAL A 17 8.580 -6.163 -4.517 1.00 8.99 H new ATOM 0 HA VAL A 17 7.693 -4.436 -6.637 1.00 8.85 H new ATOM 0 HB VAL A 17 7.621 -2.553 -5.077 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.393 -3.240 -3.924 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.455 -3.836 -5.600 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.789 -4.945 -4.248 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.416 -2.883 -2.655 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.829 -4.601 -2.866 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.021 -3.343 -3.270 1.00 10.54 H new ATOM 287 N GLU A 18 9.890 -3.061 -6.382 1.00 7.29 N ATOM 288 CA GLU A 18 11.161 -2.403 -6.207 1.00 7.08 C ATOM 289 C GLU A 18 10.876 -1.179 -5.310 1.00 6.45 C ATOM 290 O GLU A 18 9.899 -0.491 -5.551 1.00 5.28 O ATOM 291 CB GLU A 18 11.779 -2.028 -7.584 1.00 10.28 C ATOM 292 CG GLU A 18 13.237 -1.473 -7.727 1.00 12.65 C ATOM 293 CD GLU A 18 14.284 -2.433 -7.381 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.213 -3.583 -7.936 1.00 18.17 O ATOM 295 OE2 GLU A 18 15.158 -2.135 -6.526 1.00 14.33 O ATOM 0 H GLU A 18 9.289 -2.649 -7.096 1.00 7.29 H new ATOM 0 HA GLU A 18 11.904 -3.045 -5.734 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.723 -2.922 -8.205 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.117 -1.286 -8.032 1.00 10.28 H new ATOM 0 HG2 GLU A 18 13.388 -1.143 -8.755 1.00 12.65 H new ATOM 0 HG3 GLU A 18 13.342 -0.594 -7.091 1.00 12.65 H new ATOM 302 N PRO A 19 11.689 -0.866 -4.321 1.00 7.24 N ATOM 303 CA PRO A 19 11.689 0.320 -3.585 1.00 7.07 C ATOM 304 C PRO A 19 11.381 1.578 -4.331 1.00 6.65 C ATOM 305 O PRO A 19 10.600 2.449 -4.036 1.00 6.37 O ATOM 306 CB PRO A 19 13.088 0.411 -3.026 1.00 7.61 C ATOM 307 CG PRO A 19 13.431 -1.051 -2.760 1.00 8.16 C ATOM 308 CD PRO A 19 12.872 -1.619 -4.052 1.00 7.49 C ATOM 0 HA PRO A 19 10.884 0.262 -2.852 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.779 0.868 -3.734 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.123 1.009 -2.115 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.501 -1.225 -2.643 1.00 8.16 H new ATOM 0 HG3 PRO A 19 12.944 -1.450 -1.870 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.591 -1.524 -4.866 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.646 -2.680 -3.949 1.00 7.49 H new ATOM 316 N SER A 20 11.968 1.616 -5.555 1.00 6.80 N ATOM 317 CA SER A 20 11.804 2.755 -6.480 1.00 6.28 C ATOM 318 C SER A 20 10.519 2.761 -7.254 1.00 8.45 C ATOM 319 O SER A 20 10.547 2.983 -8.440 1.00 7.26 O ATOM 320 CB SER A 20 13.020 2.754 -7.442 1.00 8.57 C ATOM 321 OG SER A 20 14.229 2.894 -6.697 1.00 11.13 O ATOM 0 H SER A 20 12.558 0.868 -5.919 1.00 6.80 H new ATOM 0 HA SER A 20 11.758 3.662 -5.878 1.00 6.28 H new ATOM 0 HB2 SER A 20 13.041 1.827 -8.015 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.928 3.570 -8.159 1.00 8.57 H new ATOM 0 HG SER A 20 14.993 2.891 -7.310 1.00 11.13 H new ATOM 327 N ASP A 21 9.334 2.465 -6.644 1.00 7.50 N ATOM 328 CA ASP A 21 8.053 2.370 -7.338 1.00 7.70 C ATOM 329 C ASP A 21 7.037 3.006 -6.461 1.00 7.08 C ATOM 330 O ASP A 21 7.237 3.222 -5.258 1.00 8.11 O ATOM 331 CB ASP A 21 7.725 0.861 -7.612 1.00 11.00 C ATOM 332 CG ASP A 21 6.851 0.600 -8.775 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.929 1.439 -9.733 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.244 -0.459 -8.816 1.00 18.03 O ATOM 0 H ASP A 21 9.261 2.287 -5.642 1.00 7.50 H new ATOM 0 HA ASP A 21 8.070 2.877 -8.303 1.00 7.70 H new ATOM 0 HB2 ASP A 21 8.663 0.324 -7.757 1.00 11.00 H new ATOM 0 HB3 ASP A 21 7.252 0.443 -6.723 1.00 11.00 H new ATOM 339 N THR A 22 5.975 3.570 -7.043 1.00 5.37 N ATOM 340 CA THR A 22 4.995 4.479 -6.360 1.00 6.01 C ATOM 341 C THR A 22 3.950 3.712 -5.615 1.00 8.01 C ATOM 342 O THR A 22 3.626 2.576 -5.899 1.00 8.11 O ATOM 343 CB THR A 22 4.132 5.402 -7.303 1.00 8.92 C ATOM 344 OG1 THR A 22 3.459 4.589 -8.320 1.00 10.22 O ATOM 345 CG2 THR A 22 5.035 6.409 -8.004 1.00 9.65 C ATOM 0 H THR A 22 5.750 3.416 -8.026 1.00 5.37 H new ATOM 0 HA THR A 22 5.661 5.077 -5.738 1.00 6.01 H new ATOM 0 HB THR A 22 3.391 5.924 -6.698 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.924 5.169 -8.901 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.435 7.045 -8.655 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.540 7.025 -7.260 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.778 5.879 -8.600 1.00 9.65 H new ATOM 353 N ILE A 23 3.403 4.377 -4.634 1.00 8.32 N ATOM 354 CA ILE A 23 2.290 3.864 -3.863 1.00 9.92 C ATOM 355 C ILE A 23 0.993 3.742 -4.662 1.00 10.01 C ATOM 356 O ILE A 23 0.191 2.842 -4.358 1.00 8.71 O ATOM 357 CB ILE A 23 2.045 4.673 -2.624 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.420 4.908 -1.869 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.098 3.937 -1.705 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.184 3.691 -1.375 1.00 12.30 C ATOM 0 H ILE A 23 3.717 5.302 -4.340 1.00 8.32 H new ATOM 0 HA ILE A 23 2.591 2.856 -3.579 1.00 9.92 H new ATOM 0 HB ILE A 23 1.605 5.630 -2.905 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.076 5.464 -2.538 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.223 5.549 -1.010 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.926 4.532 -0.808 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.150 3.770 -2.217 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.534 2.978 -1.426 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.101 4.013 -0.881 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.567 3.136 -0.669 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.433 3.050 -2.221 1.00 12.30 H new ATOM 372 N GLU A 24 0.879 4.441 -5.783 1.00 9.54 N ATOM 373 CA GLU A 24 -0.233 4.294 -6.760 1.00 11.81 C ATOM 374 C GLU A 24 -0.135 2.898 -7.372 1.00 11.14 C ATOM 375 O GLU A 24 -1.108 2.192 -7.619 1.00 10.62 O ATOM 376 CB GLU A 24 -0.101 5.490 -7.771 1.00 19.24 C ATOM 377 CG GLU A 24 -1.153 5.451 -8.891 1.00 27.76 C ATOM 378 CD GLU A 24 -1.013 6.707 -9.641 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.139 7.085 -10.073 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.053 7.446 -9.745 1.00 36.51 O ATOM 0 H GLU A 24 1.563 5.145 -6.060 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.232 4.354 -6.328 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.193 6.430 -7.227 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.894 5.475 -8.215 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.995 4.591 -9.542 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.157 5.357 -8.477 1.00 27.76 H new ATOM 387 N ASN A 25 1.084 2.467 -7.719 1.00 9.43 N ATOM 388 CA ASN A 25 1.442 1.127 -8.145 1.00 10.96 C ATOM 389 C ASN A 25 1.202 0.051 -7.145 1.00 9.68 C ATOM 390 O ASN A 25 0.724 -1.058 -7.506 1.00 9.33 O ATOM 391 CB ASN A 25 2.879 1.136 -8.691 1.00 16.78 C ATOM 392 CG ASN A 25 2.843 1.679 -10.097 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.837 1.838 -10.749 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.055 1.909 -10.613 1.00 24.70 N ATOM 0 H ASN A 25 1.890 3.091 -7.706 1.00 9.43 H new ATOM 0 HA ASN A 25 0.752 0.857 -8.944 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.521 1.752 -8.062 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.296 0.129 -8.683 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.147 2.226 -11.578 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.888 1.767 -10.042 1.00 24.70 H new ATOM 401 N VAL A 26 1.426 0.331 -5.858 1.00 6.52 N ATOM 402 CA VAL A 26 1.244 -0.745 -4.817 1.00 5.53 C ATOM 403 C VAL A 26 -0.233 -1.012 -4.703 1.00 4.42 C ATOM 404 O VAL A 26 -0.696 -2.170 -4.750 1.00 3.40 O ATOM 405 CB VAL A 26 1.790 -0.356 -3.436 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.566 -1.444 -2.357 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.355 -0.122 -3.559 1.00 8.12 C ATOM 0 H VAL A 26 1.720 1.240 -5.500 1.00 6.52 H new ATOM 0 HA VAL A 26 1.806 -1.624 -5.134 1.00 5.53 H new ATOM 0 HB VAL A 26 1.252 0.540 -3.125 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.976 -1.103 -1.406 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.498 -1.631 -2.245 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.066 -2.364 -2.659 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.759 0.155 -2.585 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.834 -1.039 -3.903 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.548 0.678 -4.273 1.00 8.12 H new ATOM 417 N LYS A 27 -1.071 0.047 -4.752 1.00 2.64 N ATOM 418 CA LYS A 27 -2.511 0.001 -4.795 1.00 4.14 C ATOM 419 C LYS A 27 -3.061 -0.589 -6.083 1.00 5.58 C ATOM 420 O LYS A 27 -4.132 -1.227 -6.047 1.00 4.11 O ATOM 421 CB LYS A 27 -3.137 1.414 -4.480 1.00 3.97 C ATOM 422 CG LYS A 27 -2.752 1.982 -3.064 1.00 7.45 C ATOM 423 CD LYS A 27 -3.472 3.225 -2.653 1.00 9.02 C ATOM 424 CE LYS A 27 -3.163 4.400 -3.521 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.041 5.503 -3.114 1.00 15.47 N ATOM 0 H LYS A 27 -0.718 1.004 -4.762 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.817 -0.687 -4.007 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.815 2.121 -5.244 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.222 1.343 -4.549 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.941 1.210 -2.318 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.681 2.182 -3.051 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.546 3.039 -2.674 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.210 3.464 -1.622 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.117 4.687 -3.417 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.323 4.152 -4.570 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.592 6.410 -3.352 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.950 5.426 -3.613 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.205 5.456 -2.088 1.00 15.47 H new ATOM 439 N ALA A 28 -2.400 -0.384 -7.223 1.00 6.61 N ATOM 440 CA ALA A 28 -2.673 -1.069 -8.502 1.00 7.74 C ATOM 441 C ALA A 28 -2.522 -2.610 -8.421 1.00 9.17 C ATOM 442 O ALA A 28 -3.371 -3.276 -9.011 1.00 11.45 O ATOM 443 CB ALA A 28 -1.702 -0.571 -9.639 1.00 7.68 C ATOM 0 H ALA A 28 -1.633 0.285 -7.291 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.710 -0.822 -8.729 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.930 -1.095 -10.567 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.833 0.501 -9.786 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.670 -0.774 -9.351 1.00 7.68 H new ATOM 449 N LYS A 29 -1.495 -3.104 -7.697 1.00 8.96 N ATOM 450 CA LYS A 29 -1.235 -4.443 -7.419 1.00 7.90 C ATOM 451 C LYS A 29 -2.298 -4.989 -6.454 1.00 6.92 C ATOM 452 O LYS A 29 -2.872 -6.085 -6.727 1.00 6.87 O ATOM 453 CB LYS A 29 0.148 -4.644 -6.909 1.00 10.28 C ATOM 454 CG LYS A 29 1.276 -4.390 -7.971 1.00 14.94 C ATOM 455 CD LYS A 29 2.662 -4.612 -7.325 1.00 19.69 C ATOM 456 CE LYS A 29 3.882 -4.301 -8.258 1.00 22.63 C ATOM 457 NZ LYS A 29 3.841 -5.218 -9.487 1.00 24.98 N ATOM 0 H LYS A 29 -0.798 -2.487 -7.280 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.296 -5.010 -8.348 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.309 -3.979 -6.060 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.240 -5.664 -6.537 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.148 -5.063 -8.819 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.203 -3.373 -8.357 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.736 -3.988 -6.434 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.731 -5.648 -6.994 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.856 -3.257 -8.570 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.815 -4.448 -7.714 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.652 -5.009 -10.104 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.886 -6.211 -9.181 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.957 -5.057 -10.011 1.00 24.98 H new ATOM 471 N ILE A 30 -2.695 -4.250 -5.329 1.00 4.57 N ATOM 472 CA ILE A 30 -3.789 -4.692 -4.530 1.00 5.58 C ATOM 473 C ILE A 30 -5.149 -4.557 -5.149 1.00 7.26 C ATOM 474 O ILE A 30 -6.043 -5.352 -4.887 1.00 9.46 O ATOM 475 CB ILE A 30 -3.720 -3.878 -3.185 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.410 -4.192 -2.384 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.955 -4.214 -2.236 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.154 -5.638 -2.082 1.00 2.00 C ATOM 0 H ILE A 30 -2.252 -3.386 -5.016 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.678 -5.767 -4.391 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.739 -2.826 -3.470 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.562 -3.803 -2.947 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.444 -3.645 -1.442 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.875 -3.634 -1.316 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.885 -3.961 -2.745 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.951 -5.277 -1.996 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.222 -5.734 -1.525 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.975 -6.036 -1.486 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.079 -6.197 -3.015 1.00 2.00 H new ATOM 490 N GLN A 31 -5.405 -3.611 -6.133 1.00 7.06 N ATOM 491 CA GLN A 31 -6.691 -3.621 -6.920 1.00 8.67 C ATOM 492 C GLN A 31 -6.712 -4.875 -7.794 1.00 10.90 C ATOM 493 O GLN A 31 -7.703 -5.624 -7.797 1.00 9.63 O ATOM 494 CB GLN A 31 -6.693 -2.352 -7.781 1.00 9.12 C ATOM 495 CG GLN A 31 -7.964 -2.111 -8.626 1.00 10.76 C ATOM 496 CD GLN A 31 -7.766 -1.038 -9.589 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.674 -0.463 -9.663 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.821 -0.771 -10.456 1.00 14.76 N ATOM 0 H GLN A 31 -4.760 -2.863 -6.387 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.572 -3.636 -6.278 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.547 -1.492 -7.127 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.836 -2.391 -8.453 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.233 -3.028 -9.151 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.798 -1.863 -7.969 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.704 -1.272 -10.355 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.712 -0.074 -11.193 1.00 14.76 H new ATOM 507 N ASP A 32 -5.609 -5.225 -8.470 1.00 10.93 N ATOM 508 CA ASP A 32 -5.543 -6.413 -9.289 1.00 14.01 C ATOM 509 C ASP A 32 -5.850 -7.710 -8.477 1.00 14.04 C ATOM 510 O ASP A 32 -6.700 -8.503 -8.920 1.00 13.39 O ATOM 511 CB ASP A 32 -4.143 -6.459 -9.903 1.00 18.01 C ATOM 512 CG ASP A 32 -4.029 -7.620 -10.835 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.945 -7.758 -11.686 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.979 -8.311 -10.792 1.00 26.29 O ATOM 0 H ASP A 32 -4.745 -4.683 -8.455 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.306 -6.369 -10.066 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.942 -5.531 -10.439 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.394 -6.540 -9.115 1.00 18.01 H new ATOM 519 N LYS A 33 -5.280 -7.919 -7.276 1.00 14.22 N ATOM 520 CA LYS A 33 -5.609 -9.042 -6.321 1.00 14.00 C ATOM 521 C LYS A 33 -6.981 -9.026 -5.699 1.00 12.37 C ATOM 522 O LYS A 33 -7.750 -9.989 -5.707 1.00 12.17 O ATOM 523 CB LYS A 33 -4.530 -9.126 -5.307 1.00 18.62 C ATOM 524 CG LYS A 33 -3.287 -9.725 -5.965 1.00 24.00 C ATOM 525 CD LYS A 33 -2.094 -9.935 -5.033 1.00 27.61 C ATOM 526 CE LYS A 33 -0.843 -10.361 -5.823 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.095 -11.483 -6.786 1.00 30.06 N ATOM 0 H LYS A 33 -4.553 -7.303 -6.914 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.654 -9.949 -6.925 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.307 -8.136 -4.909 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.848 -9.743 -4.467 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.556 -10.685 -6.406 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.979 -9.073 -6.783 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.888 -9.014 -4.488 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.337 -10.696 -4.292 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.460 -9.501 -6.372 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.066 -10.663 -5.121 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.188 -11.832 -7.157 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.589 -12.256 -6.297 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.682 -11.140 -7.573 1.00 30.06 H new ATOM 541 N GLU A 34 -7.435 -7.833 -5.134 1.00 10.11 N ATOM 542 CA GLU A 34 -8.565 -7.779 -4.209 1.00 10.07 C ATOM 543 C GLU A 34 -9.778 -7.075 -4.765 1.00 9.32 C ATOM 544 O GLU A 34 -10.888 -7.057 -4.168 1.00 11.61 O ATOM 545 CB GLU A 34 -8.163 -7.041 -2.901 1.00 14.77 C ATOM 546 CG GLU A 34 -7.012 -7.679 -2.102 1.00 18.75 C ATOM 547 CD GLU A 34 -7.283 -9.119 -1.639 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.259 -9.349 -0.907 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.489 -10.029 -1.988 1.00 21.95 O ATOM 0 H GLU A 34 -7.013 -6.924 -5.326 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.827 -8.821 -4.024 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.882 -6.019 -3.154 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.039 -6.981 -2.256 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.111 -7.671 -2.716 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.807 -7.062 -1.227 1.00 18.75 H new ATOM 556 N GLY A 35 -9.655 -6.378 -5.924 1.00 7.22 N ATOM 557 CA GLY A 35 -10.693 -5.721 -6.619 1.00 6.29 C ATOM 558 C GLY A 35 -11.042 -4.310 -6.124 1.00 6.93 C ATOM 559 O GLY A 35 -12.048 -3.714 -6.591 1.00 7.41 O ATOM 0 H GLY A 35 -8.755 -6.279 -6.393 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.416 -5.658 -7.671 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.590 -6.338 -6.561 1.00 6.29 H new ATOM 563 N ILE A 36 -10.398 -3.814 -5.112 1.00 5.86 N ATOM 564 CA ILE A 36 -10.720 -2.554 -4.414 1.00 6.07 C ATOM 565 C ILE A 36 -10.255 -1.279 -5.033 1.00 6.36 C ATOM 566 O ILE A 36 -9.033 -1.267 -5.316 1.00 6.18 O ATOM 567 CB ILE A 36 -10.204 -2.634 -2.945 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.497 -3.976 -2.212 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.864 -1.463 -2.154 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.533 -4.201 -1.044 1.00 9.49 C ATOM 0 H ILE A 36 -9.586 -4.283 -4.710 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.806 -2.491 -4.483 1.00 6.07 H new ATOM 0 HB ILE A 36 -9.117 -2.565 -2.986 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.523 -3.974 -1.843 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.414 -4.803 -2.918 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.525 -1.487 -1.118 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.580 -0.513 -2.607 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.948 -1.570 -2.184 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.767 -5.147 -0.556 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.509 -4.229 -1.417 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.635 -3.387 -0.326 1.00 9.49 H new ATOM 582 N PRO A 37 -10.991 -0.280 -5.454 1.00 8.65 N ATOM 583 CA PRO A 37 -10.354 0.984 -5.948 1.00 9.18 C ATOM 584 C PRO A 37 -9.109 1.613 -5.216 1.00 9.85 C ATOM 585 O PRO A 37 -9.255 1.801 -4.013 1.00 8.51 O ATOM 586 CB PRO A 37 -11.594 1.990 -5.736 1.00 11.42 C ATOM 587 CG PRO A 37 -12.859 1.166 -5.923 1.00 9.27 C ATOM 588 CD PRO A 37 -12.460 -0.104 -5.223 1.00 8.33 C ATOM 0 HA PRO A 37 -9.925 0.792 -6.931 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.566 2.436 -4.742 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.555 2.809 -6.454 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.731 1.635 -5.467 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.097 1.004 -6.974 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.680 -0.044 -4.157 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -13.018 -0.954 -5.616 1.00 8.33 H new ATOM 596 N PRO A 38 -7.952 1.953 -5.836 1.00 8.71 N ATOM 597 CA PRO A 38 -6.873 2.718 -5.233 1.00 9.08 C ATOM 598 C PRO A 38 -7.260 4.043 -4.623 1.00 9.28 C ATOM 599 O PRO A 38 -6.504 4.582 -3.815 1.00 6.50 O ATOM 600 CB PRO A 38 -5.918 3.010 -6.430 1.00 10.31 C ATOM 601 CG PRO A 38 -6.060 1.788 -7.342 1.00 10.81 C ATOM 602 CD PRO A 38 -7.620 1.572 -7.189 1.00 12.00 C ATOM 0 HA PRO A 38 -6.461 2.143 -4.403 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.200 3.927 -6.948 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.889 3.137 -6.095 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.758 1.988 -8.370 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.477 0.933 -7.000 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.169 2.179 -7.909 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.889 0.533 -7.377 1.00 12.00 H new ATOM 610 N ASP A 39 -8.418 4.663 -5.011 1.00 11.20 N ATOM 611 CA ASP A 39 -9.106 5.758 -4.286 1.00 14.96 C ATOM 612 C ASP A 39 -9.591 5.414 -2.904 1.00 13.99 C ATOM 613 O ASP A 39 -9.371 6.158 -1.931 1.00 13.75 O ATOM 614 CB ASP A 39 -10.343 6.303 -5.085 1.00 24.16 C ATOM 615 CG ASP A 39 -9.908 7.160 -6.230 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.307 8.249 -5.961 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.178 6.848 -7.430 1.00 34.22 O ATOM 0 H ASP A 39 -8.906 4.398 -5.866 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.323 6.510 -4.190 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.937 5.468 -5.457 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.985 6.879 -4.419 1.00 24.16 H new ATOM 622 N GLN A 40 -10.132 4.213 -2.755 1.00 11.60 N ATOM 623 CA GLN A 40 -10.624 3.711 -1.477 1.00 10.76 C ATOM 624 C GLN A 40 -9.457 3.278 -0.617 1.00 8.01 C ATOM 625 O GLN A 40 -9.463 3.519 0.554 1.00 8.96 O ATOM 626 CB GLN A 40 -11.574 2.539 -1.746 1.00 11.14 C ATOM 627 CG GLN A 40 -12.491 2.158 -0.563 1.00 14.85 C ATOM 628 CD GLN A 40 -13.260 0.868 -0.723 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.321 -0.070 0.086 1.00 20.52 O ATOM 630 NE2 GLN A 40 -13.982 0.822 -1.844 1.00 18.16 N ATOM 0 H GLN A 40 -10.243 3.553 -3.524 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.164 4.492 -0.943 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.198 2.786 -2.605 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.982 1.667 -2.023 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.881 2.087 0.338 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.203 2.967 -0.403 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.935 1.591 -2.513 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.581 0.018 -2.032 1.00 18.16 H new ATOM 639 N GLN A 41 -8.443 2.620 -1.205 1.00 6.52 N ATOM 640 CA GLN A 41 -7.325 2.155 -0.504 1.00 3.87 C ATOM 641 C GLN A 41 -6.427 3.219 -0.011 1.00 4.79 C ATOM 642 O GLN A 41 -5.935 3.970 -0.795 1.00 6.34 O ATOM 643 CB GLN A 41 -6.462 1.250 -1.386 1.00 4.20 C ATOM 644 CG GLN A 41 -7.140 -0.048 -1.889 1.00 3.20 C ATOM 645 CD GLN A 41 -6.077 -0.800 -2.760 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.011 -1.196 -2.235 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.362 -1.035 -4.079 1.00 7.13 N ATOM 0 H GLN A 41 -8.416 2.413 -2.203 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.752 1.626 0.348 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.134 1.825 -2.252 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.567 0.977 -0.827 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.462 -0.667 -1.051 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.029 0.182 -2.476 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.239 -0.700 -4.479 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.698 -1.545 -4.661 1.00 7.13 H new ATOM 656 N ARG A 42 -6.033 3.046 1.266 1.00 5.73 N ATOM 657 CA ARG A 42 -5.037 3.843 1.966 1.00 6.97 C ATOM 658 C ARG A 42 -4.045 2.853 2.519 1.00 7.15 C ATOM 659 O ARG A 42 -4.295 1.690 2.704 1.00 7.33 O ATOM 660 CB ARG A 42 -5.710 4.695 3.051 1.00 13.23 C ATOM 661 CG ARG A 42 -6.532 5.828 2.437 1.00 21.27 C ATOM 662 CD ARG A 42 -7.630 6.227 3.430 1.00 26.14 C ATOM 663 NE ARG A 42 -8.149 7.463 2.795 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.948 8.408 3.294 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.409 8.361 4.510 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.256 9.555 2.680 1.00 36.39 N ATOM 0 H ARG A 42 -6.425 2.311 1.854 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.528 4.555 1.316 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.355 4.065 3.663 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.950 5.111 3.713 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.893 6.683 2.216 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.973 5.507 1.493 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.398 5.459 3.527 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.236 6.411 4.429 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.850 7.613 1.831 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.162 7.581 5.119 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.018 9.104 4.854 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.870 9.760 1.758 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.877 10.225 3.133 1.00 36.39 H new ATOM 680 N LEU A 43 -2.800 3.351 2.700 1.00 4.65 N ATOM 681 CA LEU A 43 -1.772 2.490 3.270 1.00 3.51 C ATOM 682 C LEU A 43 -1.026 3.269 4.344 1.00 5.56 C ATOM 683 O LEU A 43 -0.716 4.430 4.213 1.00 4.19 O ATOM 684 CB LEU A 43 -0.670 2.127 2.212 1.00 3.74 C ATOM 685 CG LEU A 43 -1.165 1.074 1.153 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.328 1.131 -0.122 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.344 -0.342 1.703 1.00 6.41 C ATOM 0 H LEU A 43 -2.504 4.299 2.469 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.272 1.594 3.639 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.355 3.034 1.696 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.206 1.733 2.727 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.179 1.372 0.885 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.696 0.391 -0.832 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.403 2.125 -0.562 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.714 0.917 0.117 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.687 -1.001 0.906 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.392 -0.705 2.090 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.081 -0.330 2.506 1.00 6.41 H new ATOM 699 N ILE A 44 -0.809 2.668 5.600 1.00 4.58 N ATOM 700 CA ILE A 44 -0.074 3.272 6.722 1.00 5.55 C ATOM 701 C ILE A 44 1.240 2.483 7.015 1.00 5.46 C ATOM 702 O ILE A 44 1.226 1.249 7.131 1.00 6.04 O ATOM 703 CB ILE A 44 -1.023 3.404 7.961 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.374 4.063 7.552 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.277 4.174 9.070 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.236 4.698 8.668 1.00 13.90 C ATOM 0 H ILE A 44 -1.163 1.737 5.820 1.00 4.58 H new ATOM 0 HA ILE A 44 0.245 4.281 6.460 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.284 2.421 8.354 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.159 4.836 6.814 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.978 3.305 7.053 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.924 4.275 9.941 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.624 3.628 9.349 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.003 5.164 8.705 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.144 5.116 8.233 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.502 3.936 9.400 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.670 5.490 9.158 1.00 13.90 H new ATOM 718 N PHE A 45 2.375 3.188 7.032 1.00 6.75 N ATOM 719 CA PHE A 45 3.605 2.552 7.606 1.00 4.70 C ATOM 720 C PHE A 45 4.276 3.457 8.640 1.00 6.34 C ATOM 721 O PHE A 45 4.508 4.634 8.467 1.00 5.45 O ATOM 722 CB PHE A 45 4.525 2.262 6.414 1.00 5.51 C ATOM 723 CG PHE A 45 5.686 1.399 6.812 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.567 0.022 6.962 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.862 2.054 7.189 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.638 -0.751 7.472 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.925 1.308 7.631 1.00 6.64 C ATOM 728 CZ PHE A 45 7.837 -0.075 7.774 1.00 6.84 C ATOM 0 H PHE A 45 2.487 4.140 6.684 1.00 6.75 H new ATOM 0 HA PHE A 45 3.363 1.635 8.143 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.956 1.768 5.626 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.893 3.201 6.000 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.644 -0.465 6.685 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.933 3.130 7.133 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.540 -1.816 7.623 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.853 1.805 7.874 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.695 -0.634 8.119 1.00 6.84 H new ATOM 738 N ALA A 46 4.566 2.827 9.817 1.00 6.53 N ATOM 739 CA ALA A 46 5.010 3.448 11.016 1.00 7.15 C ATOM 740 C ALA A 46 4.382 4.715 11.516 1.00 9.00 C ATOM 741 O ALA A 46 4.961 5.669 12.046 1.00 11.15 O ATOM 742 CB ALA A 46 6.549 3.605 10.999 1.00 8.99 C ATOM 0 H ALA A 46 4.478 1.816 9.917 1.00 6.53 H new ATOM 0 HA ALA A 46 4.639 2.732 11.749 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.876 4.082 11.923 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.014 2.623 10.913 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.843 4.221 10.149 1.00 8.99 H new ATOM 748 N GLY A 47 3.049 4.772 11.510 1.00 9.35 N ATOM 749 CA GLY A 47 2.276 5.935 11.917 1.00 11.68 C ATOM 750 C GLY A 47 2.097 6.979 10.769 1.00 11.14 C ATOM 751 O GLY A 47 1.464 7.998 11.032 1.00 13.93 O ATOM 0 H GLY A 47 2.467 3.988 11.214 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.294 5.610 12.262 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.768 6.414 12.763 1.00 11.68 H new ATOM 755 N LYS A 48 2.550 6.762 9.508 1.00 10.47 N ATOM 756 CA LYS A 48 2.609 7.660 8.435 1.00 8.82 C ATOM 757 C LYS A 48 1.833 7.110 7.260 1.00 7.68 C ATOM 758 O LYS A 48 2.090 6.032 6.834 1.00 6.47 O ATOM 759 CB LYS A 48 4.114 7.865 7.992 1.00 9.74 C ATOM 760 CG LYS A 48 4.150 9.158 7.043 1.00 14.14 C ATOM 761 CD LYS A 48 5.545 9.761 6.718 1.00 16.32 C ATOM 762 CE LYS A 48 5.488 11.043 5.938 1.00 20.04 C ATOM 763 NZ LYS A 48 6.907 11.577 5.803 1.00 23.92 N ATOM 0 H LYS A 48 2.909 5.846 9.240 1.00 10.47 H new ATOM 0 HA LYS A 48 2.179 8.611 8.751 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.756 8.006 8.861 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.483 6.987 7.462 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.666 8.900 6.101 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.546 9.936 7.509 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.079 9.939 7.651 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.123 9.029 6.154 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.051 10.871 4.954 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.854 11.770 6.446 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.893 12.467 5.265 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.304 11.750 6.748 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.494 10.879 5.303 1.00 23.92 H new ATOM 777 N GLN A 49 0.813 7.853 6.787 1.00 8.89 N ATOM 778 CA GLN A 49 0.153 7.551 5.566 1.00 7.18 C ATOM 779 C GLN A 49 0.949 7.613 4.253 1.00 8.23 C ATOM 780 O GLN A 49 1.782 8.491 4.066 1.00 9.70 O ATOM 781 CB GLN A 49 -1.199 8.307 5.495 1.00 11.67 C ATOM 782 CG GLN A 49 -2.310 7.378 5.944 1.00 15.82 C ATOM 783 CD GLN A 49 -3.665 8.024 5.797 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.918 8.629 4.749 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.520 8.016 6.844 1.00 20.67 N ATOM 0 H GLN A 49 0.446 8.676 7.265 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.008 6.475 5.625 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.169 9.192 6.130 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.385 8.651 4.478 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.278 6.460 5.357 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.151 7.096 6.985 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.280 7.506 7.694 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.405 8.519 6.784 1.00 20.67 H new ATOM 794 N LEU A 50 0.725 6.608 3.379 1.00 6.51 N ATOM 795 CA LEU A 50 1.418 6.625 2.080 1.00 7.41 C ATOM 796 C LEU A 50 0.648 7.124 0.923 1.00 8.27 C ATOM 797 O LEU A 50 -0.547 6.820 0.735 1.00 8.34 O ATOM 798 CB LEU A 50 1.987 5.215 1.785 1.00 7.13 C ATOM 799 CG LEU A 50 2.693 4.391 2.965 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.409 3.187 2.411 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.708 5.263 3.800 1.00 9.11 C ATOM 0 H LEU A 50 0.103 5.815 3.538 1.00 6.51 H new ATOM 0 HA LEU A 50 2.210 7.365 2.196 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.168 4.605 1.404 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.712 5.317 0.977 1.00 7.13 H new ATOM 0 HG LEU A 50 1.896 4.077 3.639 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.883 2.639 3.225 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.693 2.539 1.905 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.170 3.511 1.701 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.154 4.651 4.584 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.492 5.638 3.142 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.180 6.103 4.252 1.00 9.11 H new ATOM 813 N GLU A 51 1.278 7.984 0.115 1.00 9.43 N ATOM 814 CA GLU A 51 0.662 8.896 -0.885 1.00 11.90 C ATOM 815 C GLU A 51 0.956 8.488 -2.291 1.00 11.49 C ATOM 816 O GLU A 51 2.035 8.037 -2.661 1.00 9.88 O ATOM 817 CB GLU A 51 1.053 10.417 -0.691 1.00 16.56 C ATOM 818 CG GLU A 51 0.360 10.935 0.602 1.00 26.06 C ATOM 819 CD GLU A 51 0.349 12.462 0.586 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.176 13.076 -0.406 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.010 13.084 1.480 1.00 33.44 O ATOM 0 H GLU A 51 2.294 8.076 0.134 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.409 8.803 -0.702 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.135 10.524 -0.612 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.737 11.004 -1.553 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.659 10.552 0.662 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.889 10.572 1.483 1.00 26.06 H new ATOM 828 N ASP A 52 -0.055 8.623 -3.183 1.00 12.71 N ATOM 829 CA ASP A 52 0.013 8.184 -4.563 1.00 16.56 C ATOM 830 C ASP A 52 1.183 8.730 -5.419 1.00 15.83 C ATOM 831 O ASP A 52 1.775 7.943 -6.144 1.00 17.21 O ATOM 832 CB ASP A 52 -1.363 8.629 -5.248 1.00 21.05 C ATOM 833 CG ASP A 52 -2.460 7.709 -4.916 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.101 7.891 -3.829 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.784 6.776 -5.701 1.00 25.82 O ATOM 0 H ASP A 52 -0.949 9.050 -2.941 1.00 12.71 H new ATOM 0 HA ASP A 52 0.188 7.109 -4.530 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.622 9.636 -4.922 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.235 8.667 -6.330 1.00 21.05 H new ATOM 840 N GLY A 53 1.566 10.019 -5.278 1.00 15.00 N ATOM 841 CA GLY A 53 2.670 10.654 -5.961 1.00 11.77 C ATOM 842 C GLY A 53 4.071 10.396 -5.404 1.00 11.10 C ATOM 843 O GLY A 53 5.084 11.048 -5.725 1.00 11.25 O ATOM 0 H GLY A 53 1.078 10.658 -4.651 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.655 10.332 -7.002 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.497 11.730 -5.958 1.00 11.77 H new ATOM 847 N ARG A 54 4.166 9.441 -4.454 1.00 8.53 N ATOM 848 CA ARG A 54 5.366 9.205 -3.760 1.00 9.05 C ATOM 849 C ARG A 54 5.756 7.753 -3.948 1.00 8.96 C ATOM 850 O ARG A 54 4.947 6.963 -4.424 1.00 11.60 O ATOM 851 CB ARG A 54 5.100 9.435 -2.230 1.00 7.97 C ATOM 852 CG ARG A 54 4.672 10.857 -1.931 1.00 9.62 C ATOM 853 CD ARG A 54 5.669 11.888 -2.439 1.00 12.20 C ATOM 854 NE ARG A 54 4.952 13.246 -2.505 1.00 18.23 N ATOM 855 CZ ARG A 54 5.488 14.333 -2.002 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.785 14.500 -1.856 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.741 15.374 -1.623 1.00 23.38 N ATOM 0 H ARG A 54 3.393 8.835 -4.177 1.00 8.53 H new ATOM 0 HA ARG A 54 6.152 9.866 -4.126 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.327 8.746 -1.890 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.004 9.204 -1.667 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.699 11.043 -2.386 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.548 10.976 -0.855 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.532 11.944 -1.775 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.042 11.605 -3.423 1.00 12.20 H new ATOM 0 HE ARG A 54 4.037 13.304 -2.951 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.429 13.762 -2.140 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.146 15.367 -1.458 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.726 15.336 -1.722 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.185 16.206 -1.235 1.00 23.38 H new ATOM 871 N THR A 55 7.030 7.352 -3.658 1.00 9.05 N ATOM 872 CA THR A 55 7.622 6.048 -3.834 1.00 9.03 C ATOM 873 C THR A 55 7.754 5.417 -2.485 1.00 8.15 C ATOM 874 O THR A 55 7.800 6.067 -1.434 1.00 5.91 O ATOM 875 CB THR A 55 8.918 5.924 -4.612 1.00 11.15 C ATOM 876 OG1 THR A 55 9.987 6.647 -4.018 1.00 11.95 O ATOM 877 CG2 THR A 55 8.664 6.389 -6.027 1.00 11.71 C ATOM 0 H THR A 55 7.701 8.011 -3.263 1.00 9.05 H new ATOM 0 HA THR A 55 6.931 5.529 -4.498 1.00 9.03 H new ATOM 0 HB THR A 55 9.232 4.880 -4.606 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.762 7.600 -3.991 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.583 6.309 -6.607 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.893 5.767 -6.482 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.332 7.427 -6.015 1.00 11.71 H new ATOM 885 N LEU A 56 7.985 4.085 -2.518 1.00 6.91 N ATOM 886 CA LEU A 56 8.391 3.352 -1.297 1.00 8.29 C ATOM 887 C LEU A 56 9.716 3.786 -0.650 1.00 8.05 C ATOM 888 O LEU A 56 9.739 3.867 0.570 1.00 10.17 O ATOM 889 CB LEU A 56 8.436 1.783 -1.498 1.00 6.60 C ATOM 890 CG LEU A 56 7.084 1.090 -1.886 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.413 -0.155 -2.656 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.265 0.836 -0.586 1.00 8.64 C ATOM 0 H LEU A 56 7.900 3.507 -3.354 1.00 6.91 H new ATOM 0 HA LEU A 56 7.592 3.630 -0.609 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.169 1.559 -2.273 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.799 1.331 -0.575 1.00 6.60 H new ATOM 0 HG LEU A 56 6.458 1.711 -2.527 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.491 -0.661 -2.941 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.974 0.109 -3.553 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.014 -0.819 -2.035 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.321 0.354 -0.839 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.834 0.190 0.082 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.066 1.786 -0.090 1.00 8.64 H new ATOM 904 N SER A 57 10.728 4.124 -1.487 1.00 8.92 N ATOM 905 CA SER A 57 11.998 4.789 -1.199 1.00 9.00 C ATOM 906 C SER A 57 11.825 6.164 -0.573 1.00 9.44 C ATOM 907 O SER A 57 12.717 6.628 0.163 1.00 10.91 O ATOM 908 CB SER A 57 12.838 4.937 -2.446 1.00 10.32 C ATOM 909 OG SER A 57 13.373 3.650 -2.842 1.00 13.59 O ATOM 0 H SER A 57 10.655 3.910 -2.481 1.00 8.92 H new ATOM 0 HA SER A 57 12.501 4.143 -0.479 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.235 5.353 -3.253 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.653 5.638 -2.264 1.00 10.32 H new ATOM 0 HG SER A 57 13.914 3.756 -3.652 1.00 13.59 H new ATOM 915 N ASP A 58 10.638 6.819 -0.720 1.00 9.11 N ATOM 916 CA ASP A 58 10.452 8.106 -0.023 1.00 7.91 C ATOM 917 C ASP A 58 10.222 7.880 1.446 1.00 9.12 C ATOM 918 O ASP A 58 10.502 8.685 2.269 1.00 8.61 O ATOM 919 CB ASP A 58 9.266 8.843 -0.690 1.00 8.41 C ATOM 920 CG ASP A 58 9.678 9.498 -1.996 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.481 10.486 -1.974 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.271 8.970 -3.074 1.00 11.70 O ATOM 0 H ASP A 58 9.848 6.497 -1.279 1.00 9.11 H new ATOM 0 HA ASP A 58 11.347 8.722 -0.106 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.457 8.137 -0.876 1.00 8.41 H new ATOM 0 HB3 ASP A 58 8.878 9.601 -0.009 1.00 8.41 H new ATOM 927 N TYR A 59 9.635 6.718 1.819 1.00 7.97 N ATOM 928 CA TYR A 59 9.296 6.375 3.215 1.00 8.45 C ATOM 929 C TYR A 59 10.404 5.416 3.772 1.00 10.98 C ATOM 930 O TYR A 59 10.373 4.937 4.857 1.00 12.95 O ATOM 931 CB TYR A 59 7.895 5.624 3.253 1.00 7.94 C ATOM 932 CG TYR A 59 6.771 6.478 2.614 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.363 7.653 3.280 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.189 6.210 1.380 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.379 8.465 2.729 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.342 7.054 0.741 1.00 6.52 C ATOM 937 CZ TYR A 59 4.851 8.155 1.458 1.00 6.76 C ATOM 938 OH TYR A 59 3.890 8.984 0.848 1.00 7.63 O ATOM 0 H TYR A 59 9.383 5.989 1.152 1.00 7.97 H new ATOM 0 HA TYR A 59 9.237 7.282 3.817 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.976 4.674 2.724 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.634 5.392 4.286 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.817 7.923 4.222 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.426 5.272 0.901 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.021 9.328 3.270 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.055 6.884 -0.286 1.00 6.52 H new ATOM 0 HH TYR A 59 4.024 9.910 1.140 1.00 7.63 H new ATOM 948 N ASN A 60 11.483 5.184 2.962 1.00 12.38 N ATOM 949 CA ASN A 60 12.594 4.359 3.265 1.00 13.94 C ATOM 950 C ASN A 60 12.216 2.953 3.691 1.00 14.16 C ATOM 951 O ASN A 60 12.803 2.385 4.638 1.00 14.26 O ATOM 952 CB ASN A 60 13.610 5.111 4.186 1.00 19.23 C ATOM 953 CG ASN A 60 14.056 6.487 3.562 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.973 6.510 2.732 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.476 7.605 3.961 1.00 24.09 N ATOM 0 H ASN A 60 11.561 5.613 2.040 1.00 12.38 H new ATOM 0 HA ASN A 60 13.136 4.166 2.339 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.157 5.284 5.162 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.487 4.484 4.348 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.783 8.502 3.584 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.721 7.572 4.646 1.00 24.09 H new ATOM 962 N ILE A 61 11.249 2.277 3.067 1.00 11.08 N ATOM 963 CA ILE A 61 10.733 0.999 3.546 1.00 11.78 C ATOM 964 C ILE A 61 11.529 -0.160 2.938 1.00 13.74 C ATOM 965 O ILE A 61 11.662 -0.360 1.760 1.00 14.60 O ATOM 966 CB ILE A 61 9.242 0.711 3.130 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.334 1.961 3.628 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.801 -0.718 3.654 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.883 1.818 3.210 1.00 11.42 C ATOM 0 H ILE A 61 10.802 2.605 2.211 1.00 11.08 H new ATOM 0 HA ILE A 61 10.814 1.069 4.631 1.00 11.78 H new ATOM 0 HB ILE A 61 9.111 0.650 2.050 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.391 2.040 4.714 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.738 2.887 3.219 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.768 -0.910 3.362 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.448 -1.480 3.220 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.883 -0.748 4.741 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.315 2.678 3.566 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.821 1.767 2.123 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.469 0.906 3.640 1.00 11.42 H new ATOM 981 N GLN A 62 12.131 -0.952 3.783 1.00 13.97 N ATOM 982 CA GLN A 62 12.947 -2.091 3.451 1.00 15.52 C ATOM 983 C GLN A 62 12.188 -3.386 3.207 1.00 13.94 C ATOM 984 O GLN A 62 10.986 -3.470 3.341 1.00 12.15 O ATOM 985 CB GLN A 62 13.957 -2.365 4.607 1.00 19.53 C ATOM 986 CG GLN A 62 14.964 -1.198 4.768 1.00 26.38 C ATOM 987 CD GLN A 62 15.817 -1.417 6.036 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.576 -0.775 7.027 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.783 -2.359 6.021 1.00 32.71 N ATOM 0 H GLN A 62 12.060 -0.810 4.791 1.00 13.97 H new ATOM 0 HA GLN A 62 13.430 -1.818 2.513 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.413 -2.509 5.541 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.499 -3.290 4.407 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.608 -1.137 3.891 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.429 -0.251 4.837 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.966 -2.888 5.168 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.330 -2.542 6.862 1.00 32.71 H new ATOM 998 N LYS A 63 12.855 -4.456 2.729 1.00 11.73 N ATOM 999 CA LYS A 63 12.265 -5.729 2.485 1.00 11.97 C ATOM 1000 C LYS A 63 11.489 -6.396 3.584 1.00 10.41 C ATOM 1001 O LYS A 63 11.764 -6.230 4.748 1.00 9.59 O ATOM 1002 CB LYS A 63 13.287 -6.755 1.817 1.00 13.73 C ATOM 1003 CG LYS A 63 14.215 -7.410 2.884 1.00 16.98 C ATOM 1004 CD LYS A 63 15.154 -8.457 2.348 1.00 20.19 C ATOM 1005 CE LYS A 63 16.058 -9.118 3.439 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.288 -9.715 4.550 1.00 25.97 N ATOM 0 H LYS A 63 13.850 -4.427 2.504 1.00 11.73 H new ATOM 0 HA LYS A 63 11.482 -5.447 1.781 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.733 -7.531 1.289 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.893 -6.236 1.075 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.802 -6.627 3.364 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.594 -7.861 3.657 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.571 -9.234 1.854 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.791 -8.004 1.588 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.671 -9.890 2.974 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.740 -8.368 3.840 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.804 -10.535 4.929 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.160 -9.009 5.303 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.357 -10.022 4.202 1.00 25.97 H new ATOM 1020 N GLU A 64 10.403 -7.151 3.254 1.00 10.04 N ATOM 1021 CA GLU A 64 9.693 -7.989 4.205 1.00 10.94 C ATOM 1022 C GLU A 64 8.970 -7.190 5.247 1.00 9.74 C ATOM 1023 O GLU A 64 8.656 -7.702 6.354 1.00 9.42 O ATOM 1024 CB GLU A 64 10.498 -9.142 4.851 1.00 18.31 C ATOM 1025 CG GLU A 64 11.230 -10.032 3.849 1.00 24.16 C ATOM 1026 CD GLU A 64 12.122 -11.088 4.466 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.653 -11.886 5.336 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.306 -11.235 3.924 1.00 31.72 O ATOM 0 H GLU A 64 10.011 -7.180 2.313 1.00 10.04 H new ATOM 0 HA GLU A 64 8.964 -8.494 3.571 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.226 -8.719 5.543 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.819 -9.759 5.440 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.492 -10.525 3.217 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.836 -9.400 3.199 1.00 24.16 H new ATOM 1035 N SER A 65 8.765 -5.939 5.002 1.00 6.85 N ATOM 1036 CA SER A 65 7.945 -5.096 5.810 1.00 6.90 C ATOM 1037 C SER A 65 6.456 -5.193 5.596 1.00 4.72 C ATOM 1038 O SER A 65 6.011 -5.276 4.479 1.00 3.91 O ATOM 1039 CB SER A 65 8.200 -3.591 5.473 1.00 7.28 C ATOM 1040 OG SER A 65 9.566 -3.232 5.620 1.00 10.56 O ATOM 0 H SER A 65 9.179 -5.457 4.204 1.00 6.85 H new ATOM 0 HA SER A 65 8.216 -5.430 6.812 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.882 -3.391 4.450 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.590 -2.966 6.125 1.00 7.28 H new ATOM 0 HG SER A 65 10.064 -3.504 4.821 1.00 10.56 H new ATOM 1046 N THR A 66 5.642 -5.043 6.684 1.00 4.48 N ATOM 1047 CA THR A 66 4.195 -5.029 6.624 1.00 3.80 C ATOM 1048 C THR A 66 3.552 -3.631 6.655 1.00 4.60 C ATOM 1049 O THR A 66 3.694 -2.824 7.545 1.00 5.33 O ATOM 1050 CB THR A 66 3.511 -5.758 7.816 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.046 -7.081 7.997 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.045 -5.945 7.553 1.00 3.40 C ATOM 0 H THR A 66 6.005 -4.929 7.630 1.00 4.48 H new ATOM 0 HA THR A 66 4.031 -5.526 5.668 1.00 3.80 H new ATOM 0 HB THR A 66 3.689 -5.138 8.695 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.599 -7.514 8.754 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.586 -6.457 8.399 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.573 -4.972 7.418 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.910 -6.542 6.651 1.00 3.40 H new ATOM 1060 N LEU A 67 2.774 -3.297 5.605 1.00 4.17 N ATOM 1061 CA LEU A 67 2.037 -2.094 5.397 1.00 3.85 C ATOM 1062 C LEU A 67 0.572 -2.380 5.740 1.00 3.80 C ATOM 1063 O LEU A 67 -0.134 -3.194 5.216 1.00 5.54 O ATOM 1064 CB LEU A 67 1.988 -1.627 3.961 1.00 7.18 C ATOM 1065 CG LEU A 67 3.123 -0.802 3.370 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.569 -1.424 3.507 1.00 8.12 C ATOM 1067 CD2 LEU A 67 2.862 -0.549 1.865 1.00 11.66 C ATOM 0 H LEU A 67 2.654 -3.943 4.824 1.00 4.17 H new ATOM 0 HA LEU A 67 2.532 -1.338 6.006 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.880 -2.516 3.339 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.074 -1.044 3.845 1.00 7.18 H new ATOM 0 HG LEU A 67 3.122 0.114 3.960 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.298 -0.753 3.052 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.808 -1.559 4.562 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.599 -2.389 3.001 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.678 0.042 1.449 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.800 -1.503 1.341 1.00 11.66 H new ATOM 0 HD23 LEU A 67 1.924 -0.008 1.744 1.00 11.66 H new ATOM 1079 N HIS A 68 0.028 -1.619 6.623 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.388 -1.647 6.962 1.00 4.17 C ATOM 1081 C HIS A 68 -2.280 -1.200 5.783 1.00 5.32 C ATOM 1082 O HIS A 68 -2.296 0.026 5.472 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.771 -0.774 8.191 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.806 -0.960 9.301 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.452 -0.462 9.203 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.793 -1.741 10.428 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.196 -0.989 10.215 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.475 -1.819 10.966 1.00 16.30 N ATOM 0 H HIS A 68 0.557 -0.930 7.158 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.567 -2.693 7.210 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.797 0.276 7.901 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.773 -1.037 8.529 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.783 0.193 8.495 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.662 -2.231 10.841 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.238 -0.762 10.386 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.115 -2.076 5.148 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.156 -1.705 4.257 1.00 3.97 C ATOM 1098 C LEU A 69 -5.302 -1.058 5.036 1.00 5.07 C ATOM 1099 O LEU A 69 -5.867 -1.630 5.941 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.643 -2.890 3.396 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.516 -2.489 2.178 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.663 -1.832 1.073 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.311 -3.664 1.560 1.00 9.96 C ATOM 0 H LEU A 69 -3.044 -3.085 5.276 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.755 -0.972 3.557 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.774 -3.442 3.037 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.215 -3.570 4.028 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.240 -1.777 2.575 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.302 -1.562 0.232 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.184 -0.936 1.468 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.899 -2.534 0.737 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.896 -3.303 0.714 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.618 -4.433 1.219 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.980 -4.085 2.310 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.709 0.172 4.666 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.833 0.950 5.229 1.00 6.26 C ATOM 1117 C VAL A 70 -7.726 1.181 4.067 1.00 9.22 C ATOM 1118 O VAL A 70 -7.431 1.713 3.015 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.348 2.196 5.893 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.514 3.131 6.360 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.545 1.736 7.188 1.00 8.54 C ATOM 0 H VAL A 70 -5.234 0.681 3.921 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.369 0.435 6.027 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.745 2.758 5.181 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.099 4.020 6.835 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.112 3.426 5.497 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.144 2.599 7.073 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.167 2.614 7.713 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.208 1.177 7.848 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.709 1.102 6.892 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.052 0.874 4.278 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.042 1.216 3.240 1.00 16.06 C ATOM 1133 C LEU A 71 -11.019 2.367 3.662 1.00 18.09 C ATOM 1134 O LEU A 71 -11.736 2.226 4.671 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.806 -0.037 2.790 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.902 -1.245 2.340 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.860 -2.386 2.100 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.049 -0.998 1.114 1.00 19.57 C ATOM 0 H LEU A 71 -9.426 0.418 5.111 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.481 1.608 2.392 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.446 -0.367 3.609 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.462 0.234 1.963 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.166 -1.444 3.119 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.303 -3.268 1.782 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.398 -2.609 3.021 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.571 -2.106 1.323 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.466 -1.892 0.890 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.691 -0.762 0.266 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.375 -0.163 1.302 1.00 19.57 H new