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 123:sc= 0.986 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.26 (180deg=1.01) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -117:sc= 0.0533 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -57:sc= 0.328 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= 1.23 K(o=1.2,f=-0.069) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 1.96 (180deg=1.65) USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0649) USER MOD Single : A 31 GLN : amide:sc= -0.0267 K(o=-0.027,f=-3.2!) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.102) USER MOD Single : A 40 GLN : amide:sc= -0.306 K(o=-0.31,f=-3!) USER MOD Single : A 41 GLN : amide:sc= 1 K(o=1,f=-2.8!) 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) USER MOD Single : A 55 THR OG1 : rot -63:sc= 1.14 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 110:sc= 0.142 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.032) 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 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.301 K(o=0.3,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.117 5.484 -5.543 1.00 9.67 N ATOM 2 CA MET A 1 -11.221 6.283 -4.301 1.00 10.38 C ATOM 3 C MET A 1 -9.906 6.770 -3.798 1.00 9.62 C ATOM 4 O MET A 1 -8.851 6.265 -4.180 1.00 9.62 O ATOM 5 CB MET A 1 -12.062 5.536 -3.252 1.00 13.77 C ATOM 6 CG MET A 1 -11.436 4.192 -2.873 1.00 16.29 C ATOM 7 SD MET A 1 -12.241 3.307 -1.504 1.00 17.17 S ATOM 8 CE MET A 1 -10.775 2.358 -1.007 1.00 16.11 C ATOM 0 H1 MET A 1 -11.950 4.867 -5.630 1.00 9.67 H new ATOM 0 H2 MET A 1 -11.072 6.122 -6.363 1.00 9.67 H new ATOM 0 H3 MET A 1 -10.256 4.901 -5.510 1.00 9.67 H new ATOM 0 HA MET A 1 -11.756 7.203 -4.539 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.163 6.154 -2.360 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.067 5.372 -3.642 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.443 3.548 -3.752 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.392 4.360 -2.609 1.00 16.29 H new ATOM 0 HE1 MET A 1 -11.025 1.721 -0.159 1.00 16.11 H new ATOM 0 HE2 MET A 1 -10.442 1.739 -1.840 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.977 3.044 -0.723 1.00 16.11 H new ATOM 20 N GLN A 2 -9.942 7.676 -2.804 1.00 9.27 N ATOM 21 CA GLN A 2 -8.733 8.189 -2.237 1.00 9.07 C ATOM 22 C GLN A 2 -8.290 7.468 -1.011 1.00 8.72 C ATOM 23 O GLN A 2 -9.119 7.126 -0.169 1.00 8.22 O ATOM 24 CB GLN A 2 -8.976 9.686 -1.981 1.00 14.46 C ATOM 25 CG GLN A 2 -7.725 10.431 -1.512 1.00 17.01 C ATOM 26 CD GLN A 2 -7.950 11.935 -1.580 1.00 20.10 C ATOM 27 OE1 GLN A 2 -8.426 12.533 -0.616 1.00 21.89 O ATOM 28 NE2 GLN A 2 -7.744 12.488 -2.805 1.00 19.49 N ATOM 0 H GLN A 2 -10.799 8.050 -2.396 1.00 9.27 H new ATOM 0 HA GLN A 2 -7.907 8.036 -2.931 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -9.344 10.149 -2.897 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -9.759 9.797 -1.231 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -7.481 10.139 -0.491 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -6.874 10.155 -2.135 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -7.344 11.927 -3.557 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -7.990 13.464 -2.972 1.00 19.49 H new ATOM 37 N ILE A 3 -7.034 6.986 -1.030 1.00 5.87 N ATOM 38 CA ILE A 3 -6.326 6.489 0.108 1.00 5.07 C ATOM 39 C ILE A 3 -5.025 7.182 0.321 1.00 4.01 C ATOM 40 O ILE A 3 -4.508 7.857 -0.568 1.00 4.61 O ATOM 41 CB ILE A 3 -6.065 5.012 0.116 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.129 4.535 -1.008 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.377 4.227 0.284 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.835 3.037 -0.941 1.00 10.83 C ATOM 0 H ILE A 3 -6.483 6.941 -1.887 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.019 6.705 0.921 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.473 4.780 1.002 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -5.579 4.769 -1.973 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.191 5.087 -0.952 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.164 3.158 0.287 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -7.849 4.505 1.226 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.049 4.460 -0.542 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -4.170 2.760 -1.759 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.358 2.802 0.010 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.767 2.479 -1.027 1.00 10.83 H new ATOM 56 N PHE A 4 -4.386 7.104 1.502 1.00 4.55 N ATOM 57 CA PHE A 4 -3.102 7.687 1.734 1.00 4.68 C ATOM 58 C PHE A 4 -2.171 6.577 2.081 1.00 5.30 C ATOM 59 O PHE A 4 -2.525 5.733 2.903 1.00 5.58 O ATOM 60 CB PHE A 4 -3.028 8.731 2.861 1.00 4.83 C ATOM 61 CG PHE A 4 -4.042 9.811 2.699 1.00 7.97 C ATOM 62 CD1 PHE A 4 -3.860 10.726 1.688 1.00 6.69 C ATOM 63 CD2 PHE A 4 -5.258 9.784 3.340 1.00 8.34 C ATOM 64 CE1 PHE A 4 -4.892 11.562 1.332 1.00 9.10 C ATOM 65 CE2 PHE A 4 -6.237 10.710 3.067 1.00 10.61 C ATOM 66 CZ PHE A 4 -6.083 11.587 2.019 1.00 8.90 C ATOM 0 H PHE A 4 -4.772 6.624 2.315 1.00 4.55 H new ATOM 0 HA PHE A 4 -2.846 8.226 0.822 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -3.177 8.237 3.821 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -2.031 9.172 2.880 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -2.911 10.787 1.176 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -5.449 9.017 4.076 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -4.763 12.220 0.486 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -7.128 10.749 3.676 1.00 10.61 H new ATOM 0 HZ PHE A 4 -6.871 12.273 1.745 1.00 8.90 H new ATOM 76 N VAL A 5 -0.929 6.632 1.567 1.00 4.44 N ATOM 77 CA VAL A 5 0.163 5.768 1.893 1.00 3.87 C ATOM 78 C VAL A 5 1.244 6.647 2.419 1.00 4.93 C ATOM 79 O VAL A 5 1.684 7.508 1.659 1.00 6.84 O ATOM 80 CB VAL A 5 0.732 4.935 0.783 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.805 3.959 1.296 1.00 5.28 C ATOM 82 CG2 VAL A 5 -0.357 4.023 0.193 1.00 9.13 C ATOM 0 H VAL A 5 -0.671 7.333 0.872 1.00 4.44 H new ATOM 0 HA VAL A 5 -0.229 5.035 2.598 1.00 3.87 H new ATOM 0 HB VAL A 5 1.141 5.640 0.059 1.00 2.99 H new ATOM 0 HG11 VAL A 5 2.193 3.374 0.462 1.00 5.28 H new ATOM 0 HG12 VAL A 5 2.619 4.521 1.754 1.00 5.28 H new ATOM 0 HG13 VAL A 5 1.365 3.290 2.035 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.068 3.423 -0.612 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -0.742 3.365 0.972 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.170 4.634 -0.200 1.00 9.13 H new ATOM 92 N LYS A 6 1.718 6.519 3.672 1.00 6.04 N ATOM 93 CA LYS A 6 2.629 7.496 4.183 1.00 6.12 C ATOM 94 C LYS A 6 3.977 6.955 4.515 1.00 6.57 C ATOM 95 O LYS A 6 4.273 5.850 4.967 1.00 5.76 O ATOM 96 CB LYS A 6 1.857 8.196 5.314 1.00 7.45 C ATOM 97 CG LYS A 6 2.604 9.463 5.735 1.00 11.12 C ATOM 98 CD LYS A 6 1.852 10.304 6.768 1.00 14.54 C ATOM 99 CE LYS A 6 2.570 11.608 7.120 1.00 18.84 C ATOM 100 NZ LYS A 6 1.794 12.516 7.994 1.00 20.55 N ATOM 0 H LYS A 6 1.480 5.763 4.314 1.00 6.04 H new ATOM 0 HA LYS A 6 2.921 8.232 3.434 1.00 6.12 H new ATOM 0 HB2 LYS A 6 0.851 8.449 4.979 1.00 7.45 H new ATOM 0 HB3 LYS A 6 1.750 7.524 6.166 1.00 7.45 H new ATOM 0 HG2 LYS A 6 3.575 9.183 6.144 1.00 11.12 H new ATOM 0 HG3 LYS A 6 2.794 10.073 4.852 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.858 10.536 6.385 1.00 14.54 H new ATOM 0 HD3 LYS A 6 1.714 9.716 7.675 1.00 14.54 H new ATOM 0 HE2 LYS A 6 3.513 11.368 7.611 1.00 18.84 H new ATOM 0 HE3 LYS A 6 2.816 12.134 6.197 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 2.350 13.374 8.184 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.905 12.777 7.521 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.581 12.036 8.891 1.00 20.55 H new ATOM 114 N THR A 7 5.025 7.761 4.267 1.00 7.41 N ATOM 115 CA THR A 7 6.344 7.298 4.570 1.00 7.48 C ATOM 116 C THR A 7 6.667 7.478 6.013 1.00 8.75 C ATOM 117 O THR A 7 5.912 8.073 6.780 1.00 8.58 O ATOM 118 CB THR A 7 7.412 8.008 3.790 1.00 9.61 C ATOM 119 OG1 THR A 7 7.491 9.415 3.960 1.00 11.78 O ATOM 120 CG2 THR A 7 7.148 7.749 2.297 1.00 9.17 C ATOM 0 H THR A 7 4.966 8.699 3.871 1.00 7.41 H new ATOM 0 HA THR A 7 6.337 6.243 4.297 1.00 7.48 H new ATOM 0 HB THR A 7 8.354 7.610 4.167 1.00 9.61 H new ATOM 0 HG1 THR A 7 8.388 9.657 4.271 1.00 11.78 H new ATOM 0 HG21 THR A 7 7.909 8.253 1.700 1.00 9.17 H new ATOM 0 HG22 THR A 7 7.184 6.677 2.102 1.00 9.17 H new ATOM 0 HG23 THR A 7 6.164 8.133 2.030 1.00 9.17 H new ATOM 128 N LEU A 8 7.828 6.933 6.420 1.00 9.84 N ATOM 129 CA LEU A 8 8.332 7.063 7.752 1.00 14.15 C ATOM 130 C LEU A 8 8.834 8.410 8.146 1.00 17.37 C ATOM 131 O LEU A 8 8.666 8.812 9.296 1.00 17.01 O ATOM 132 CB LEU A 8 9.411 5.989 7.970 1.00 16.63 C ATOM 133 CG LEU A 8 8.887 4.543 7.959 1.00 18.88 C ATOM 134 CD1 LEU A 8 10.052 3.621 8.357 1.00 18.59 C ATOM 135 CD2 LEU A 8 7.815 4.295 9.033 1.00 19.31 C ATOM 0 H LEU A 8 8.432 6.387 5.806 1.00 9.84 H new ATOM 0 HA LEU A 8 7.474 6.920 8.409 1.00 14.15 H new ATOM 0 HB2 LEU A 8 10.170 6.092 7.194 1.00 16.63 H new ATOM 0 HB3 LEU A 8 9.903 6.176 8.924 1.00 16.63 H new ATOM 0 HG LEU A 8 8.475 4.358 6.967 1.00 18.88 H new ATOM 0 HD11 LEU A 8 9.712 2.585 8.359 1.00 18.59 H new ATOM 0 HD12 LEU A 8 10.867 3.734 7.642 1.00 18.59 H new ATOM 0 HD13 LEU A 8 10.404 3.889 9.353 1.00 18.59 H new ATOM 0 HD21 LEU A 8 7.480 3.259 8.981 1.00 19.31 H new ATOM 0 HD22 LEU A 8 8.236 4.491 10.019 1.00 19.31 H new ATOM 0 HD23 LEU A 8 6.968 4.959 8.862 1.00 19.31 H new ATOM 147 N THR A 9 9.430 9.185 7.222 1.00 18.33 N ATOM 148 CA THR A 9 9.785 10.551 7.455 1.00 19.24 C ATOM 149 C THR A 9 8.620 11.479 7.506 1.00 19.48 C ATOM 150 O THR A 9 8.322 12.024 8.568 1.00 23.14 O ATOM 151 CB THR A 9 10.690 11.049 6.367 1.00 18.97 C ATOM 152 OG1 THR A 9 10.313 10.579 5.081 1.00 20.24 O ATOM 153 CG2 THR A 9 12.080 10.469 6.681 1.00 19.70 C ATOM 0 H THR A 9 9.671 8.853 6.288 1.00 18.33 H new ATOM 0 HA THR A 9 10.272 10.551 8.430 1.00 19.24 H new ATOM 0 HB THR A 9 10.654 12.138 6.342 1.00 18.97 H new ATOM 0 HG1 THR A 9 10.932 10.933 4.409 1.00 20.24 H new ATOM 0 HG21 THR A 9 12.791 10.796 5.922 1.00 19.70 H new ATOM 0 HG22 THR A 9 12.408 10.820 7.660 1.00 19.70 H new ATOM 0 HG23 THR A 9 12.028 9.380 6.684 1.00 19.70 H new ATOM 161 N GLY A 10 7.974 11.698 6.347 1.00 19.43 N ATOM 162 CA GLY A 10 6.909 12.651 6.334 1.00 18.74 C ATOM 163 C GLY A 10 6.379 12.960 4.976 1.00 17.62 C ATOM 164 O GLY A 10 5.995 14.101 4.722 1.00 19.74 O ATOM 0 H GLY A 10 8.175 11.240 5.458 1.00 19.43 H new ATOM 0 HA2 GLY A 10 6.094 12.276 6.953 1.00 18.74 H new ATOM 0 HA3 GLY A 10 7.259 13.575 6.794 1.00 18.74 H new ATOM 168 N LYS A 11 6.392 11.998 4.037 1.00 13.56 N ATOM 169 CA LYS A 11 5.859 12.126 2.716 1.00 11.91 C ATOM 170 C LYS A 11 4.589 11.369 2.533 1.00 10.18 C ATOM 171 O LYS A 11 4.492 10.159 2.733 1.00 9.10 O ATOM 172 CB LYS A 11 6.870 11.819 1.599 1.00 13.43 C ATOM 173 CG LYS A 11 8.289 12.392 1.617 1.00 16.69 C ATOM 174 CD LYS A 11 9.195 11.837 0.517 1.00 17.92 C ATOM 175 CE LYS A 11 8.695 12.019 -0.918 1.00 20.81 C ATOM 176 NZ LYS A 11 9.672 11.606 -1.949 1.00 21.93 N ATOM 0 H LYS A 11 6.798 11.078 4.210 1.00 13.56 H new ATOM 0 HA LYS A 11 5.623 13.186 2.617 1.00 11.91 H new ATOM 0 HB2 LYS A 11 6.968 10.734 1.552 1.00 13.43 H new ATOM 0 HB3 LYS A 11 6.412 12.139 0.663 1.00 13.43 H new ATOM 0 HG2 LYS A 11 8.234 13.476 1.516 1.00 16.69 H new ATOM 0 HG3 LYS A 11 8.742 12.184 2.586 1.00 16.69 H new ATOM 0 HD2 LYS A 11 10.172 12.313 0.604 1.00 17.92 H new ATOM 0 HD3 LYS A 11 9.342 10.772 0.697 1.00 17.92 H new ATOM 0 HE2 LYS A 11 7.778 11.444 -1.049 1.00 20.81 H new ATOM 0 HE3 LYS A 11 8.439 13.067 -1.073 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 9.942 12.431 -2.522 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 10.518 11.213 -1.488 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 9.245 10.883 -2.562 1.00 21.93 H new ATOM 190 N THR A 12 3.505 12.066 2.148 1.00 9.63 N ATOM 191 CA THR A 12 2.272 11.387 1.892 1.00 9.85 C ATOM 192 C THR A 12 2.148 11.151 0.426 1.00 11.66 C ATOM 193 O THR A 12 2.359 12.020 -0.419 1.00 12.33 O ATOM 194 CB THR A 12 1.071 12.093 2.446 1.00 10.85 C ATOM 195 OG1 THR A 12 1.226 12.495 3.800 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.120 11.139 2.262 1.00 9.63 C ATOM 0 H THR A 12 3.480 13.077 2.016 1.00 9.63 H new ATOM 0 HA THR A 12 2.299 10.434 2.419 1.00 9.85 H new ATOM 0 HB THR A 12 0.914 13.029 1.909 1.00 10.85 H new ATOM 0 HG1 THR A 12 0.412 12.950 4.101 1.00 10.91 H new ATOM 0 HG21 THR A 12 -1.024 11.607 2.651 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.251 10.921 1.202 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.070 10.212 2.802 1.00 9.63 H new ATOM 204 N ILE A 13 1.885 9.877 0.085 1.00 10.42 N ATOM 205 CA ILE A 13 1.577 9.426 -1.237 1.00 11.84 C ATOM 206 C ILE A 13 0.097 9.267 -1.185 1.00 10.55 C ATOM 207 O ILE A 13 -0.443 8.487 -0.403 1.00 11.92 O ATOM 208 CB ILE A 13 2.234 8.121 -1.574 1.00 14.86 C ATOM 209 CG1 ILE A 13 3.739 8.435 -1.617 1.00 14.87 C ATOM 210 CG2 ILE A 13 1.522 7.499 -2.788 1.00 17.08 C ATOM 211 CD1 ILE A 13 4.586 7.173 -1.463 1.00 16.46 C ATOM 0 H ILE A 13 1.887 9.121 0.769 1.00 10.42 H new ATOM 0 HA ILE A 13 1.932 10.116 -2.003 1.00 11.84 H new ATOM 0 HB ILE A 13 2.140 7.307 -0.855 1.00 14.86 H new ATOM 0 HG12 ILE A 13 3.982 8.923 -2.561 1.00 14.87 H new ATOM 0 HG13 ILE A 13 3.987 9.138 -0.822 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.994 6.549 -3.039 1.00 17.08 H new ATOM 0 HG22 ILE A 13 0.473 7.330 -2.547 1.00 17.08 H new ATOM 0 HG23 ILE A 13 1.594 8.177 -3.639 1.00 17.08 H new ATOM 0 HD11 ILE A 13 5.643 7.438 -1.499 1.00 16.46 H new ATOM 0 HD12 ILE A 13 4.363 6.699 -0.507 1.00 16.46 H new ATOM 0 HD13 ILE A 13 4.358 6.481 -2.273 1.00 16.46 H new ATOM 223 N THR A 14 -0.656 10.042 -1.987 1.00 9.39 N ATOM 224 CA THR A 14 -2.071 9.926 -2.160 1.00 9.63 C ATOM 225 C THR A 14 -2.359 9.051 -3.332 1.00 11.20 C ATOM 226 O THR A 14 -1.822 9.270 -4.416 1.00 11.63 O ATOM 227 CB THR A 14 -2.705 11.253 -2.455 1.00 10.38 C ATOM 228 OG1 THR A 14 -2.733 12.055 -1.283 1.00 16.30 O ATOM 229 CG2 THR A 14 -4.197 11.076 -2.782 1.00 11.66 C ATOM 0 H THR A 14 -0.253 10.793 -2.547 1.00 9.39 H new ATOM 0 HA THR A 14 -2.473 9.518 -1.232 1.00 9.63 H new ATOM 0 HB THR A 14 -2.132 11.692 -3.272 1.00 10.38 H new ATOM 0 HG1 THR A 14 -3.209 11.578 -0.572 1.00 16.30 H new ATOM 0 HG21 THR A 14 -4.641 12.049 -2.993 1.00 11.66 H new ATOM 0 HG22 THR A 14 -4.304 10.431 -3.654 1.00 11.66 H new ATOM 0 HG23 THR A 14 -4.705 10.623 -1.931 1.00 11.66 H new ATOM 237 N LEU A 15 -3.257 8.056 -3.219 1.00 8.29 N ATOM 238 CA LEU A 15 -3.523 7.214 -4.344 1.00 9.03 C ATOM 239 C LEU A 15 -4.986 7.210 -4.625 1.00 8.59 C ATOM 240 O LEU A 15 -5.770 7.206 -3.677 1.00 7.79 O ATOM 241 CB LEU A 15 -3.206 5.733 -4.075 1.00 11.08 C ATOM 242 CG LEU A 15 -1.770 5.398 -3.638 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.360 3.926 -3.465 1.00 15.27 C ATOM 244 CD2 LEU A 15 -0.781 5.929 -4.690 1.00 15.88 C ATOM 0 H LEU A 15 -3.786 7.838 -2.374 1.00 8.29 H new ATOM 0 HA LEU A 15 -2.906 7.608 -5.152 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.888 5.375 -3.304 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.425 5.169 -4.982 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.742 5.854 -2.648 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.317 3.873 -3.154 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.989 3.460 -2.706 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.484 3.400 -4.412 1.00 15.27 H new ATOM 0 HD21 LEU A 15 0.238 5.693 -4.383 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -0.988 5.461 -5.653 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -0.892 7.010 -4.781 1.00 15.88 H new ATOM 256 N GLU A 16 -5.420 7.171 -5.898 1.00 11.04 N ATOM 257 CA GLU A 16 -6.724 6.877 -6.407 1.00 11.50 C ATOM 258 C GLU A 16 -6.941 5.491 -6.908 1.00 10.13 C ATOM 259 O GLU A 16 -6.967 5.162 -8.093 1.00 9.83 O ATOM 260 CB GLU A 16 -6.882 7.925 -7.521 1.00 17.22 C ATOM 261 CG GLU A 16 -6.904 9.356 -6.980 1.00 23.33 C ATOM 262 CD GLU A 16 -7.617 10.377 -7.855 1.00 26.99 C ATOM 263 OE1 GLU A 16 -7.901 9.910 -8.990 1.00 28.90 O ATOM 264 OE2 GLU A 16 -8.029 11.498 -7.452 1.00 28.86 O ATOM 0 H GLU A 16 -4.773 7.371 -6.661 1.00 11.04 H new ATOM 0 HA GLU A 16 -7.470 6.926 -5.614 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -6.062 7.821 -8.232 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -7.805 7.733 -8.068 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -7.381 9.348 -6.000 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -5.876 9.686 -6.832 1.00 23.33 H new ATOM 271 N VAL A 17 -7.131 4.532 -5.984 1.00 8.99 N ATOM 272 CA VAL A 17 -7.313 3.144 -6.279 1.00 8.85 C ATOM 273 C VAL A 17 -8.760 2.845 -6.090 1.00 8.04 C ATOM 274 O VAL A 17 -9.544 3.441 -5.353 1.00 8.99 O ATOM 275 CB VAL A 17 -6.499 2.238 -5.405 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.019 2.501 -5.730 1.00 12.05 C ATOM 277 CG2 VAL A 17 -6.835 2.476 -3.923 1.00 10.54 C ATOM 0 H VAL A 17 -7.159 4.734 -4.985 1.00 8.99 H new ATOM 0 HA VAL A 17 -6.977 2.960 -7.300 1.00 8.85 H new ATOM 0 HB VAL A 17 -6.726 1.189 -5.596 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -4.391 1.859 -5.112 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -4.834 2.286 -6.782 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -4.782 3.545 -5.526 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -6.235 1.810 -3.302 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -6.615 3.511 -3.662 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -7.893 2.276 -3.753 1.00 10.54 H new ATOM 287 N GLU A 18 -9.261 1.897 -6.901 1.00 7.29 N ATOM 288 CA GLU A 18 -10.608 1.416 -6.887 1.00 7.08 C ATOM 289 C GLU A 18 -10.729 0.364 -5.839 1.00 6.45 C ATOM 290 O GLU A 18 -9.764 -0.380 -5.673 1.00 5.28 O ATOM 291 CB GLU A 18 -11.029 0.835 -8.247 1.00 10.28 C ATOM 292 CG GLU A 18 -10.826 1.778 -9.435 1.00 12.65 C ATOM 293 CD GLU A 18 -11.637 3.065 -9.376 1.00 14.15 C ATOM 294 OE1 GLU A 18 -12.886 2.970 -9.243 1.00 18.17 O ATOM 295 OE2 GLU A 18 -11.000 4.153 -9.392 1.00 14.33 O ATOM 0 H GLU A 18 -8.690 1.438 -7.611 1.00 7.29 H new ATOM 0 HA GLU A 18 -11.268 2.257 -6.672 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -10.465 -0.080 -8.426 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -12.082 0.556 -8.198 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -9.769 2.034 -9.500 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -11.082 1.246 -10.351 1.00 12.65 H new ATOM 302 N PRO A 19 -11.781 0.078 -5.131 1.00 7.24 N ATOM 303 CA PRO A 19 -11.724 -0.587 -3.862 1.00 7.07 C ATOM 304 C PRO A 19 -11.763 -2.062 -4.070 1.00 6.65 C ATOM 305 O PRO A 19 -11.721 -2.715 -3.029 1.00 6.37 O ATOM 306 CB PRO A 19 -13.054 -0.196 -3.221 1.00 7.61 C ATOM 307 CG PRO A 19 -14.029 0.314 -4.294 1.00 8.16 C ATOM 308 CD PRO A 19 -13.003 0.849 -5.305 1.00 7.49 C ATOM 0 HA PRO A 19 -10.834 -0.330 -3.287 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -13.485 -1.055 -2.706 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.891 0.577 -2.470 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.655 -0.477 -4.706 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -14.699 1.089 -3.922 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.379 0.749 -6.323 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -12.815 1.910 -5.137 1.00 7.49 H new ATOM 316 N SER A 20 -11.966 -2.584 -5.292 1.00 6.80 N ATOM 317 CA SER A 20 -12.025 -3.988 -5.558 1.00 6.28 C ATOM 318 C SER A 20 -10.698 -4.634 -5.764 1.00 8.45 C ATOM 319 O SER A 20 -10.469 -5.841 -5.809 1.00 7.26 O ATOM 320 CB SER A 20 -12.747 -4.272 -6.885 1.00 8.57 C ATOM 321 OG SER A 20 -14.079 -3.784 -6.815 1.00 11.13 O ATOM 0 H SER A 20 -12.094 -2.009 -6.125 1.00 6.80 H new ATOM 0 HA SER A 20 -12.526 -4.382 -4.674 1.00 6.28 H new ATOM 0 HB2 SER A 20 -12.217 -3.795 -7.709 1.00 8.57 H new ATOM 0 HB3 SER A 20 -12.751 -5.343 -7.087 1.00 8.57 H new ATOM 0 HG SER A 20 -14.538 -3.964 -7.662 1.00 11.13 H new ATOM 327 N ASP A 21 -9.705 -3.747 -5.962 1.00 7.50 N ATOM 328 CA ASP A 21 -8.386 -4.051 -6.422 1.00 7.70 C ATOM 329 C ASP A 21 -7.408 -4.581 -5.431 1.00 7.08 C ATOM 330 O ASP A 21 -7.676 -4.537 -4.231 1.00 8.11 O ATOM 331 CB ASP A 21 -7.793 -2.784 -7.061 1.00 11.00 C ATOM 332 CG ASP A 21 -6.823 -3.063 -8.200 1.00 15.32 C ATOM 333 OD1 ASP A 21 -6.598 -4.224 -8.636 1.00 18.03 O ATOM 334 OD2 ASP A 21 -6.338 -2.046 -8.764 1.00 14.36 O ATOM 0 H ASP A 21 -9.835 -2.750 -5.788 1.00 7.50 H new ATOM 0 HA ASP A 21 -8.531 -4.878 -7.117 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -8.607 -2.162 -7.434 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -7.279 -2.208 -6.292 1.00 11.00 H new ATOM 339 N THR A 22 -6.320 -5.164 -5.965 1.00 5.37 N ATOM 340 CA THR A 22 -5.296 -5.893 -5.282 1.00 6.01 C ATOM 341 C THR A 22 -4.320 -4.981 -4.622 1.00 8.01 C ATOM 342 O THR A 22 -4.056 -3.850 -5.027 1.00 8.11 O ATOM 343 CB THR A 22 -4.626 -7.025 -6.002 1.00 8.92 C ATOM 344 OG1 THR A 22 -4.212 -6.609 -7.295 1.00 10.22 O ATOM 345 CG2 THR A 22 -5.547 -8.244 -6.183 1.00 9.65 C ATOM 0 H THR A 22 -6.142 -5.120 -6.968 1.00 5.37 H new ATOM 0 HA THR A 22 -5.864 -6.433 -4.525 1.00 6.01 H new ATOM 0 HB THR A 22 -3.776 -7.313 -5.384 1.00 8.92 H new ATOM 0 HG1 THR A 22 -3.775 -7.356 -7.755 1.00 10.22 H new ATOM 0 HG21 THR A 22 -5.009 -9.032 -6.710 1.00 9.65 H new ATOM 0 HG22 THR A 22 -5.861 -8.611 -5.206 1.00 9.65 H new ATOM 0 HG23 THR A 22 -6.424 -7.954 -6.761 1.00 9.65 H new ATOM 353 N ILE A 23 -3.631 -5.546 -3.614 1.00 8.32 N ATOM 354 CA ILE A 23 -2.625 -4.862 -2.863 1.00 9.92 C ATOM 355 C ILE A 23 -1.372 -4.868 -3.670 1.00 10.01 C ATOM 356 O ILE A 23 -0.639 -3.882 -3.722 1.00 8.71 O ATOM 357 CB ILE A 23 -2.546 -5.411 -1.469 1.00 10.78 C ATOM 358 CG1 ILE A 23 -3.854 -4.937 -0.813 1.00 11.38 C ATOM 359 CG2 ILE A 23 -1.322 -4.810 -0.758 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.925 -5.298 0.670 1.00 12.30 C ATOM 0 H ILE A 23 -3.779 -6.509 -3.312 1.00 8.32 H new ATOM 0 HA ILE A 23 -2.860 -3.811 -2.693 1.00 9.92 H new ATOM 0 HB ILE A 23 -2.437 -6.495 -1.428 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.943 -3.857 -0.926 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -4.701 -5.383 -1.334 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -1.260 -5.206 0.256 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.417 -5.073 -1.306 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -1.420 -3.725 -0.719 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.867 -4.942 1.087 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -3.864 -6.380 0.784 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.095 -4.830 1.199 1.00 12.30 H new ATOM 372 N GLU A 24 -1.109 -5.966 -4.401 1.00 9.54 N ATOM 373 CA GLU A 24 -0.198 -5.918 -5.503 1.00 11.81 C ATOM 374 C GLU A 24 -0.323 -4.774 -6.450 1.00 11.14 C ATOM 375 O GLU A 24 0.641 -4.035 -6.646 1.00 10.62 O ATOM 376 CB GLU A 24 -0.205 -7.243 -6.284 1.00 19.24 C ATOM 377 CG GLU A 24 1.116 -7.389 -7.040 1.00 27.76 C ATOM 378 CD GLU A 24 0.925 -8.526 -8.034 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.123 -8.357 -8.990 1.00 36.51 O ATOM 380 OE2 GLU A 24 1.616 -9.562 -7.841 1.00 34.80 O ATOM 0 H GLU A 24 -1.524 -6.882 -4.231 1.00 9.54 H new ATOM 0 HA GLU A 24 0.760 -5.750 -5.011 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.341 -8.081 -5.600 1.00 19.24 H new ATOM 0 HB3 GLU A 24 -1.041 -7.263 -6.983 1.00 19.24 H new ATOM 0 HG2 GLU A 24 1.372 -6.463 -7.555 1.00 27.76 H new ATOM 0 HG3 GLU A 24 1.933 -7.608 -6.353 1.00 27.76 H new ATOM 387 N ASN A 25 -1.498 -4.348 -6.947 1.00 9.43 N ATOM 388 CA ASN A 25 -1.608 -3.166 -7.745 1.00 10.96 C ATOM 389 C ASN A 25 -1.589 -1.872 -7.008 1.00 9.68 C ATOM 390 O ASN A 25 -1.392 -0.836 -7.641 1.00 9.33 O ATOM 391 CB ASN A 25 -2.869 -3.172 -8.626 1.00 16.78 C ATOM 392 CG ASN A 25 -3.024 -4.243 -9.695 1.00 22.31 C ATOM 393 OD1 ASN A 25 -2.056 -4.482 -10.415 1.00 25.66 O ATOM 394 ND2 ASN A 25 -4.247 -4.800 -9.908 1.00 24.70 N ATOM 0 H ASN A 25 -2.384 -4.830 -6.793 1.00 9.43 H new ATOM 0 HA ASN A 25 -0.698 -3.214 -8.343 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -3.731 -3.243 -7.963 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -2.927 -2.203 -9.122 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -4.386 -5.442 -10.688 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -5.025 -4.576 -9.287 1.00 24.70 H new ATOM 401 N VAL A 26 -1.764 -1.859 -5.674 1.00 6.52 N ATOM 402 CA VAL A 26 -1.381 -0.711 -4.913 1.00 5.53 C ATOM 403 C VAL A 26 0.083 -0.444 -4.987 1.00 4.42 C ATOM 404 O VAL A 26 0.581 0.634 -5.306 1.00 3.40 O ATOM 405 CB VAL A 26 -1.670 -0.894 -3.453 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.360 0.382 -2.653 1.00 7.25 C ATOM 407 CG2 VAL A 26 -3.163 -1.018 -3.102 1.00 8.12 C ATOM 0 H VAL A 26 -2.162 -2.626 -5.132 1.00 6.52 H new ATOM 0 HA VAL A 26 -1.955 0.109 -5.344 1.00 5.53 H new ATOM 0 HB VAL A 26 -1.082 -1.783 -3.223 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.581 0.213 -1.599 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.306 0.636 -2.767 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.973 1.203 -3.025 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.274 -1.147 -2.025 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.687 -0.115 -3.415 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -3.587 -1.880 -3.617 1.00 8.12 H new ATOM 417 N LYS A 27 0.903 -1.486 -4.762 1.00 2.64 N ATOM 418 CA LYS A 27 2.325 -1.361 -4.841 1.00 4.14 C ATOM 419 C LYS A 27 2.780 -1.012 -6.216 1.00 5.58 C ATOM 420 O LYS A 27 3.758 -0.323 -6.503 1.00 4.11 O ATOM 421 CB LYS A 27 3.009 -2.685 -4.463 1.00 3.97 C ATOM 422 CG LYS A 27 2.666 -3.184 -3.058 1.00 7.45 C ATOM 423 CD LYS A 27 3.772 -4.091 -2.514 1.00 9.02 C ATOM 424 CE LYS A 27 3.791 -5.347 -3.387 1.00 12.90 C ATOM 425 NZ LYS A 27 4.614 -6.375 -2.712 1.00 15.47 N ATOM 0 H LYS A 27 0.577 -2.423 -4.523 1.00 2.64 H new ATOM 0 HA LYS A 27 2.597 -0.565 -4.148 1.00 4.14 H new ATOM 0 HB2 LYS A 27 2.726 -3.448 -5.188 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.089 -2.559 -4.539 1.00 3.97 H new ATOM 0 HG2 LYS A 27 2.526 -2.334 -2.390 1.00 7.45 H new ATOM 0 HG3 LYS A 27 1.722 -3.729 -3.082 1.00 7.45 H new ATOM 0 HD2 LYS A 27 4.737 -3.584 -2.546 1.00 9.02 H new ATOM 0 HD3 LYS A 27 3.582 -4.349 -1.472 1.00 9.02 H new ATOM 0 HE2 LYS A 27 2.777 -5.716 -3.543 1.00 12.90 H new ATOM 0 HE3 LYS A 27 4.202 -5.119 -4.371 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 4.694 -7.212 -3.324 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.562 -5.992 -2.524 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 4.165 -6.644 -1.813 1.00 15.47 H new ATOM 439 N ALA A 28 2.025 -1.514 -7.210 1.00 6.61 N ATOM 440 CA ALA A 28 2.452 -1.266 -8.552 1.00 7.74 C ATOM 441 C ALA A 28 2.290 0.117 -9.080 1.00 9.17 C ATOM 442 O ALA A 28 2.831 0.435 -10.138 1.00 11.45 O ATOM 443 CB ALA A 28 1.637 -2.175 -9.488 1.00 7.68 C ATOM 0 H ALA A 28 1.170 -2.059 -7.099 1.00 6.61 H new ATOM 0 HA ALA A 28 3.525 -1.454 -8.524 1.00 7.74 H new ATOM 0 HB1 ALA A 28 1.945 -2.004 -10.520 1.00 7.68 H new ATOM 0 HB2 ALA A 28 1.812 -3.218 -9.225 1.00 7.68 H new ATOM 0 HB3 ALA A 28 0.576 -1.947 -9.383 1.00 7.68 H new ATOM 449 N LYS A 29 1.502 0.900 -8.321 1.00 8.96 N ATOM 450 CA LYS A 29 1.484 2.315 -8.529 1.00 7.90 C ATOM 451 C LYS A 29 2.631 3.057 -7.933 1.00 6.92 C ATOM 452 O LYS A 29 3.143 3.993 -8.545 1.00 6.87 O ATOM 453 CB LYS A 29 0.194 2.920 -7.949 1.00 10.28 C ATOM 454 CG LYS A 29 -0.999 2.500 -8.810 1.00 14.94 C ATOM 455 CD LYS A 29 -2.310 2.870 -8.113 1.00 19.69 C ATOM 456 CE LYS A 29 -3.491 2.843 -9.086 1.00 22.63 C ATOM 457 NZ LYS A 29 -3.683 1.470 -9.603 1.00 24.98 N ATOM 0 H LYS A 29 0.889 0.563 -7.578 1.00 8.96 H new ATOM 0 HA LYS A 29 1.550 2.430 -9.611 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.051 2.583 -6.922 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.270 4.007 -7.920 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.945 2.989 -9.783 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -0.966 1.426 -8.991 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -2.496 2.175 -7.294 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -2.222 3.864 -7.674 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -4.397 3.182 -8.583 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -3.309 3.530 -9.912 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -4.546 1.435 -10.183 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -2.864 1.200 -10.184 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -3.774 0.808 -8.806 1.00 24.98 H new ATOM 471 N ILE A 30 3.123 2.647 -6.750 1.00 4.57 N ATOM 472 CA ILE A 30 4.270 3.245 -6.140 1.00 5.58 C ATOM 473 C ILE A 30 5.542 2.954 -6.859 1.00 7.26 C ATOM 474 O ILE A 30 6.455 3.777 -6.896 1.00 9.46 O ATOM 475 CB ILE A 30 4.338 2.826 -4.701 1.00 5.36 C ATOM 476 CG1 ILE A 30 3.013 3.239 -4.039 1.00 2.94 C ATOM 477 CG2 ILE A 30 5.610 3.417 -4.070 1.00 2.78 C ATOM 478 CD1 ILE A 30 2.998 3.175 -2.513 1.00 2.00 C ATOM 0 H ILE A 30 2.716 1.886 -6.207 1.00 4.57 H new ATOM 0 HA ILE A 30 4.152 4.327 -6.201 1.00 5.58 H new ATOM 0 HB ILE A 30 4.430 1.749 -4.564 1.00 5.36 H new ATOM 0 HG12 ILE A 30 2.775 4.257 -4.346 1.00 2.94 H new ATOM 0 HG13 ILE A 30 2.219 2.597 -4.421 1.00 2.94 H new ATOM 0 HG21 ILE A 30 5.669 3.118 -3.023 1.00 2.78 H new ATOM 0 HG22 ILE A 30 6.486 3.047 -4.603 1.00 2.78 H new ATOM 0 HG23 ILE A 30 5.577 4.505 -4.136 1.00 2.78 H new ATOM 0 HD11 ILE A 30 2.020 3.485 -2.145 1.00 2.00 H new ATOM 0 HD12 ILE A 30 3.200 2.154 -2.190 1.00 2.00 H new ATOM 0 HD13 ILE A 30 3.764 3.840 -2.113 1.00 2.00 H new ATOM 490 N GLN A 31 5.489 1.801 -7.550 1.00 7.06 N ATOM 491 CA GLN A 31 6.540 1.387 -8.426 1.00 8.67 C ATOM 492 C GLN A 31 6.655 2.320 -9.582 1.00 10.90 C ATOM 493 O GLN A 31 7.762 2.593 -10.042 1.00 9.63 O ATOM 494 CB GLN A 31 6.244 -0.011 -8.995 1.00 9.12 C ATOM 495 CG GLN A 31 6.909 -0.601 -10.241 1.00 10.76 C ATOM 496 CD GLN A 31 6.479 -2.049 -10.430 1.00 13.78 C ATOM 497 OE1 GLN A 31 5.610 -2.501 -9.687 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.218 -2.784 -11.304 1.00 14.76 N ATOM 0 H GLN A 31 4.707 1.148 -7.500 1.00 7.06 H new ATOM 0 HA GLN A 31 7.464 1.380 -7.847 1.00 8.67 H new ATOM 0 HB2 GLN A 31 6.443 -0.714 -8.186 1.00 9.12 H new ATOM 0 HB3 GLN A 31 5.171 -0.038 -9.185 1.00 9.12 H new ATOM 0 HG2 GLN A 31 6.637 -0.016 -11.119 1.00 10.76 H new ATOM 0 HG3 GLN A 31 7.993 -0.546 -10.144 1.00 10.76 H new ATOM 0 HE21 GLN A 31 7.921 -2.329 -11.886 1.00 14.76 H new ATOM 0 HE22 GLN A 31 7.069 -3.790 -11.377 1.00 14.76 H new ATOM 507 N ASP A 32 5.473 2.737 -10.070 1.00 10.93 N ATOM 508 CA ASP A 32 5.383 3.769 -11.055 1.00 14.01 C ATOM 509 C ASP A 32 5.702 5.155 -10.609 1.00 14.04 C ATOM 510 O ASP A 32 6.569 5.831 -11.159 1.00 13.39 O ATOM 511 CB ASP A 32 3.916 3.722 -11.514 1.00 18.01 C ATOM 512 CG ASP A 32 3.603 4.347 -12.866 1.00 24.33 C ATOM 513 OD1 ASP A 32 4.321 4.036 -13.854 1.00 26.29 O ATOM 514 OD2 ASP A 32 2.604 5.105 -12.983 1.00 25.17 O ATOM 0 H ASP A 32 4.573 2.355 -9.779 1.00 10.93 H new ATOM 0 HA ASP A 32 6.134 3.572 -11.820 1.00 14.01 H new ATOM 0 HB2 ASP A 32 3.601 2.679 -11.540 1.00 18.01 H new ATOM 0 HB3 ASP A 32 3.307 4.220 -10.760 1.00 18.01 H new ATOM 519 N LYS A 33 5.163 5.594 -9.457 1.00 14.22 N ATOM 520 CA LYS A 33 5.226 6.939 -8.977 1.00 14.00 C ATOM 521 C LYS A 33 6.585 7.190 -8.420 1.00 12.37 C ATOM 522 O LYS A 33 7.317 7.907 -9.101 1.00 12.17 O ATOM 523 CB LYS A 33 4.051 7.237 -8.030 1.00 18.62 C ATOM 524 CG LYS A 33 3.834 8.729 -7.770 1.00 24.00 C ATOM 525 CD LYS A 33 2.549 9.118 -7.036 1.00 27.61 C ATOM 526 CE LYS A 33 2.193 10.606 -7.069 1.00 27.64 C ATOM 527 NZ LYS A 33 1.780 10.990 -8.437 1.00 30.06 N ATOM 0 H LYS A 33 4.655 4.974 -8.826 1.00 14.22 H new ATOM 0 HA LYS A 33 5.097 7.656 -9.787 1.00 14.00 H new ATOM 0 HB2 LYS A 33 3.139 6.814 -8.452 1.00 18.62 H new ATOM 0 HB3 LYS A 33 4.225 6.733 -7.079 1.00 18.62 H new ATOM 0 HG2 LYS A 33 4.681 9.101 -7.194 1.00 24.00 H new ATOM 0 HG3 LYS A 33 3.849 9.247 -8.729 1.00 24.00 H new ATOM 0 HD2 LYS A 33 1.721 8.555 -7.467 1.00 27.61 H new ATOM 0 HD3 LYS A 33 2.638 8.807 -5.995 1.00 27.61 H new ATOM 0 HE2 LYS A 33 1.388 10.813 -6.364 1.00 27.64 H new ATOM 0 HE3 LYS A 33 3.051 11.202 -6.757 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 1.364 11.943 -8.419 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 2.610 10.986 -9.064 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 1.076 10.311 -8.790 1.00 30.06 H new ATOM 541 N GLU A 34 7.062 6.595 -7.312 1.00 10.11 N ATOM 542 CA GLU A 34 8.195 6.967 -6.523 1.00 10.07 C ATOM 543 C GLU A 34 9.355 6.174 -7.019 1.00 9.32 C ATOM 544 O GLU A 34 10.496 6.522 -6.721 1.00 11.61 O ATOM 545 CB GLU A 34 7.960 6.569 -5.056 1.00 14.77 C ATOM 546 CG GLU A 34 6.823 7.344 -4.387 1.00 18.75 C ATOM 547 CD GLU A 34 7.032 8.838 -4.186 1.00 22.28 C ATOM 548 OE1 GLU A 34 8.105 9.263 -3.680 1.00 21.95 O ATOM 549 OE2 GLU A 34 6.152 9.634 -4.609 1.00 25.19 O ATOM 0 H GLU A 34 6.604 5.767 -6.932 1.00 10.11 H new ATOM 0 HA GLU A 34 8.365 8.041 -6.594 1.00 10.07 H new ATOM 0 HB2 GLU A 34 7.739 5.503 -5.008 1.00 14.77 H new ATOM 0 HB3 GLU A 34 8.879 6.730 -4.493 1.00 14.77 H new ATOM 0 HG2 GLU A 34 5.921 7.205 -4.983 1.00 18.75 H new ATOM 0 HG3 GLU A 34 6.633 6.894 -3.413 1.00 18.75 H new ATOM 556 N GLY A 35 9.080 5.054 -7.712 1.00 7.22 N ATOM 557 CA GLY A 35 10.019 4.211 -8.382 1.00 6.29 C ATOM 558 C GLY A 35 10.616 3.149 -7.524 1.00 6.93 C ATOM 559 O GLY A 35 11.813 2.879 -7.616 1.00 7.41 O ATOM 0 H GLY A 35 8.124 4.713 -7.810 1.00 7.22 H new ATOM 0 HA2 GLY A 35 9.524 3.739 -9.231 1.00 6.29 H new ATOM 0 HA3 GLY A 35 10.821 4.830 -8.784 1.00 6.29 H new ATOM 563 N ILE A 36 9.899 2.550 -6.557 1.00 5.86 N ATOM 564 CA ILE A 36 10.415 1.686 -5.541 1.00 6.07 C ATOM 565 C ILE A 36 9.875 0.343 -5.895 1.00 6.36 C ATOM 566 O ILE A 36 8.665 0.187 -6.053 1.00 6.18 O ATOM 567 CB ILE A 36 9.912 2.070 -4.181 1.00 7.47 C ATOM 568 CG1 ILE A 36 10.094 3.571 -3.899 1.00 8.52 C ATOM 569 CG2 ILE A 36 10.644 1.192 -3.153 1.00 7.36 C ATOM 570 CD1 ILE A 36 9.434 3.961 -2.577 1.00 9.49 C ATOM 0 H ILE A 36 8.890 2.679 -6.480 1.00 5.86 H new ATOM 0 HA ILE A 36 11.503 1.728 -5.498 1.00 6.07 H new ATOM 0 HB ILE A 36 8.838 1.898 -4.118 1.00 7.47 H new ATOM 0 HG12 ILE A 36 11.156 3.813 -3.865 1.00 8.52 H new ATOM 0 HG13 ILE A 36 9.661 4.153 -4.712 1.00 8.52 H new ATOM 0 HG21 ILE A 36 10.302 1.445 -2.149 1.00 7.36 H new ATOM 0 HG22 ILE A 36 10.432 0.142 -3.355 1.00 7.36 H new ATOM 0 HG23 ILE A 36 11.718 1.366 -3.225 1.00 7.36 H new ATOM 0 HD11 ILE A 36 9.576 5.027 -2.400 1.00 9.49 H new ATOM 0 HD12 ILE A 36 8.368 3.740 -2.624 1.00 9.49 H new ATOM 0 HD13 ILE A 36 9.887 3.394 -1.763 1.00 9.49 H new ATOM 582 N PRO A 37 10.676 -0.679 -5.946 1.00 8.65 N ATOM 583 CA PRO A 37 10.072 -1.819 -6.571 1.00 9.18 C ATOM 584 C PRO A 37 9.259 -2.668 -5.654 1.00 9.85 C ATOM 585 O PRO A 37 9.527 -2.681 -4.454 1.00 8.51 O ATOM 586 CB PRO A 37 11.164 -2.641 -7.252 1.00 11.42 C ATOM 587 CG PRO A 37 12.428 -2.142 -6.535 1.00 9.27 C ATOM 588 CD PRO A 37 12.120 -0.694 -6.122 1.00 8.33 C ATOM 0 HA PRO A 37 9.358 -1.441 -7.302 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.013 -3.712 -7.117 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.204 -2.458 -8.326 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.655 -2.758 -5.665 1.00 9.27 H new ATOM 0 HG3 PRO A 37 13.296 -2.186 -7.193 1.00 9.27 H new ATOM 0 HD2 PRO A 37 12.637 -0.423 -5.202 1.00 8.33 H new ATOM 0 HD3 PRO A 37 12.437 0.015 -6.887 1.00 8.33 H new ATOM 596 N PRO A 38 8.265 -3.405 -6.051 1.00 8.71 N ATOM 597 CA PRO A 38 7.247 -3.950 -5.202 1.00 9.08 C ATOM 598 C PRO A 38 7.735 -5.048 -4.321 1.00 9.28 C ATOM 599 O PRO A 38 7.085 -5.439 -3.353 1.00 6.50 O ATOM 600 CB PRO A 38 6.292 -4.593 -6.205 1.00 10.31 C ATOM 601 CG PRO A 38 7.116 -4.846 -7.478 1.00 10.81 C ATOM 602 CD PRO A 38 8.114 -3.678 -7.473 1.00 12.00 C ATOM 0 HA PRO A 38 6.838 -3.179 -4.549 1.00 9.08 H new ATOM 0 HB2 PRO A 38 5.885 -5.525 -5.813 1.00 10.31 H new ATOM 0 HB3 PRO A 38 5.446 -3.938 -6.412 1.00 10.31 H new ATOM 0 HG2 PRO A 38 7.622 -5.811 -7.447 1.00 10.81 H new ATOM 0 HG3 PRO A 38 6.492 -4.841 -8.372 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.062 -3.951 -7.938 1.00 12.00 H new ATOM 0 HD3 PRO A 38 7.731 -2.813 -8.015 1.00 12.00 H new ATOM 610 N ASP A 39 8.930 -5.577 -4.637 1.00 11.20 N ATOM 611 CA ASP A 39 9.651 -6.467 -3.781 1.00 14.96 C ATOM 612 C ASP A 39 10.210 -5.802 -2.570 1.00 13.99 C ATOM 613 O ASP A 39 10.105 -6.310 -1.454 1.00 13.75 O ATOM 614 CB ASP A 39 10.693 -7.276 -4.571 1.00 24.16 C ATOM 615 CG ASP A 39 11.837 -6.358 -4.978 1.00 31.06 C ATOM 616 OD1 ASP A 39 11.816 -5.777 -6.096 1.00 35.55 O ATOM 617 OD2 ASP A 39 12.860 -6.341 -4.243 1.00 34.22 O ATOM 0 H ASP A 39 9.410 -5.380 -5.515 1.00 11.20 H new ATOM 0 HA ASP A 39 8.929 -7.181 -3.386 1.00 14.96 H new ATOM 0 HB2 ASP A 39 11.070 -8.098 -3.963 1.00 24.16 H new ATOM 0 HB3 ASP A 39 10.234 -7.718 -5.455 1.00 24.16 H new ATOM 622 N GLN A 40 10.729 -4.566 -2.673 1.00 11.60 N ATOM 623 CA GLN A 40 11.199 -3.801 -1.560 1.00 10.76 C ATOM 624 C GLN A 40 10.203 -3.119 -0.686 1.00 8.01 C ATOM 625 O GLN A 40 10.451 -2.856 0.489 1.00 8.96 O ATOM 626 CB GLN A 40 12.160 -2.668 -1.955 1.00 11.14 C ATOM 627 CG GLN A 40 13.148 -2.277 -0.854 1.00 14.85 C ATOM 628 CD GLN A 40 14.264 -1.431 -1.449 1.00 16.11 C ATOM 629 OE1 GLN A 40 14.464 -0.294 -1.023 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.991 -2.037 -2.426 1.00 18.16 N ATOM 0 H GLN A 40 10.825 -4.081 -3.565 1.00 11.60 H new ATOM 0 HA GLN A 40 11.659 -4.618 -1.004 1.00 10.76 H new ATOM 0 HB2 GLN A 40 12.720 -2.972 -2.840 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.576 -1.791 -2.233 1.00 11.14 H new ATOM 0 HG2 GLN A 40 12.634 -1.720 -0.070 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.564 -3.171 -0.389 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.758 -2.985 -2.721 1.00 18.16 H new ATOM 0 HE22 GLN A 40 15.769 -1.543 -2.863 1.00 18.16 H new ATOM 639 N GLN A 41 9.036 -2.809 -1.279 1.00 6.52 N ATOM 640 CA GLN A 41 7.963 -2.105 -0.648 1.00 3.87 C ATOM 641 C GLN A 41 7.269 -2.956 0.359 1.00 4.79 C ATOM 642 O GLN A 41 6.572 -3.911 0.021 1.00 6.34 O ATOM 643 CB GLN A 41 6.863 -1.729 -1.655 1.00 4.20 C ATOM 644 CG GLN A 41 7.193 -0.608 -2.642 1.00 3.20 C ATOM 645 CD GLN A 41 5.975 -0.218 -3.466 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.855 -0.040 -2.989 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.269 -0.127 -4.790 1.00 7.13 N ATOM 0 H GLN A 41 8.831 -3.062 -2.246 1.00 6.52 H new ATOM 0 HA GLN A 41 8.425 -1.227 -0.197 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.604 -2.621 -2.226 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.973 -1.440 -1.096 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.560 0.262 -2.097 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.995 -0.930 -3.306 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.223 -0.288 -5.113 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.536 0.103 -5.461 1.00 7.13 H new ATOM 656 N ARG A 42 7.239 -2.594 1.654 1.00 5.73 N ATOM 657 CA ARG A 42 6.469 -3.151 2.723 1.00 6.97 C ATOM 658 C ARG A 42 5.348 -2.198 2.955 1.00 7.15 C ATOM 659 O ARG A 42 5.556 -1.015 3.221 1.00 7.33 O ATOM 660 CB ARG A 42 7.332 -3.252 3.992 1.00 13.23 C ATOM 661 CG ARG A 42 6.626 -3.725 5.264 1.00 21.27 C ATOM 662 CD ARG A 42 7.565 -4.491 6.199 1.00 26.14 C ATOM 663 NE ARG A 42 7.762 -5.856 5.635 1.00 32.26 N ATOM 664 CZ ARG A 42 8.646 -6.795 6.083 1.00 34.32 C ATOM 665 NH1 ARG A 42 9.505 -6.662 7.136 1.00 35.30 N ATOM 666 NH2 ARG A 42 8.603 -8.063 5.580 1.00 36.39 N ATOM 0 H ARG A 42 7.821 -1.825 1.986 1.00 5.73 H new ATOM 0 HA ARG A 42 6.109 -4.151 2.481 1.00 6.97 H new ATOM 0 HB2 ARG A 42 8.159 -3.932 3.788 1.00 13.23 H new ATOM 0 HB3 ARG A 42 7.766 -2.272 4.188 1.00 13.23 H new ATOM 0 HG2 ARG A 42 6.216 -2.864 5.791 1.00 21.27 H new ATOM 0 HG3 ARG A 42 5.785 -4.364 4.994 1.00 21.27 H new ATOM 0 HD2 ARG A 42 8.520 -3.974 6.288 1.00 26.14 H new ATOM 0 HD3 ARG A 42 7.140 -4.550 7.201 1.00 26.14 H new ATOM 0 HE ARG A 42 7.181 -6.114 4.838 1.00 32.26 H new ATOM 0 HH11 ARG A 42 9.525 -5.794 7.671 1.00 35.30 H new ATOM 0 HH12 ARG A 42 10.127 -7.431 7.387 1.00 35.30 H new ATOM 0 HH21 ARG A 42 7.912 -8.307 4.871 1.00 36.39 H new ATOM 0 HH22 ARG A 42 9.262 -8.766 5.913 1.00 36.39 H new ATOM 680 N LEU A 43 4.078 -2.627 2.844 1.00 4.65 N ATOM 681 CA LEU A 43 2.845 -1.990 3.191 1.00 3.51 C ATOM 682 C LEU A 43 2.178 -2.520 4.414 1.00 5.56 C ATOM 683 O LEU A 43 1.856 -3.691 4.604 1.00 4.19 O ATOM 684 CB LEU A 43 1.992 -2.072 1.915 1.00 3.74 C ATOM 685 CG LEU A 43 2.135 -1.072 0.755 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.017 -1.151 -0.297 1.00 6.41 C ATOM 687 CD2 LEU A 43 2.286 0.374 1.258 1.00 9.55 C ATOM 0 H LEU A 43 3.897 -3.552 2.455 1.00 4.65 H new ATOM 0 HA LEU A 43 3.015 -0.957 3.496 1.00 3.51 H new ATOM 0 HB2 LEU A 43 2.158 -3.063 1.493 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.951 -2.031 2.234 1.00 3.74 H new ATOM 0 HG LEU A 43 3.053 -1.375 0.251 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.198 -0.411 -1.077 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.002 -2.148 -0.738 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.056 -0.950 0.177 1.00 6.41 H new ATOM 0 HD21 LEU A 43 2.384 1.047 0.406 1.00 9.55 H new ATOM 0 HD22 LEU A 43 1.407 0.651 1.840 1.00 9.55 H new ATOM 0 HD23 LEU A 43 3.174 0.450 1.885 1.00 9.55 H new ATOM 699 N ILE A 44 1.951 -1.589 5.358 1.00 4.58 N ATOM 700 CA ILE A 44 1.433 -1.757 6.680 1.00 5.55 C ATOM 701 C ILE A 44 0.212 -0.959 6.981 1.00 5.46 C ATOM 702 O ILE A 44 0.269 0.266 7.079 1.00 6.04 O ATOM 703 CB ILE A 44 2.448 -1.491 7.752 1.00 6.80 C ATOM 704 CG1 ILE A 44 3.775 -2.257 7.608 1.00 10.31 C ATOM 705 CG2 ILE A 44 1.772 -1.810 9.096 1.00 7.39 C ATOM 706 CD1 ILE A 44 4.962 -1.314 7.801 1.00 13.90 C ATOM 0 H ILE A 44 2.155 -0.608 5.169 1.00 4.58 H new ATOM 0 HA ILE A 44 1.155 -2.811 6.690 1.00 5.55 H new ATOM 0 HB ILE A 44 2.749 -0.446 7.674 1.00 6.80 H new ATOM 0 HG12 ILE A 44 3.819 -3.061 8.343 1.00 10.31 H new ATOM 0 HG13 ILE A 44 3.828 -2.721 6.623 1.00 10.31 H new ATOM 0 HG21 ILE A 44 2.476 -1.630 9.909 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.898 -1.171 9.225 1.00 7.39 H new ATOM 0 HG23 ILE A 44 1.462 -2.855 9.108 1.00 7.39 H new ATOM 0 HD11 ILE A 44 5.892 -1.873 7.696 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.926 -0.525 7.050 1.00 13.90 H new ATOM 0 HD13 ILE A 44 4.916 -0.870 8.796 1.00 13.90 H new ATOM 718 N PHE A 45 -0.912 -1.685 7.120 1.00 6.75 N ATOM 719 CA PHE A 45 -2.133 -1.125 7.613 1.00 4.70 C ATOM 720 C PHE A 45 -2.182 -1.394 9.077 1.00 6.34 C ATOM 721 O PHE A 45 -2.206 -2.542 9.517 1.00 5.45 O ATOM 722 CB PHE A 45 -3.317 -1.797 6.898 1.00 5.51 C ATOM 723 CG PHE A 45 -4.642 -1.483 7.505 1.00 5.98 C ATOM 724 CD1 PHE A 45 -5.279 -0.341 7.081 1.00 6.86 C ATOM 725 CD2 PHE A 45 -5.204 -2.359 8.403 1.00 5.87 C ATOM 726 CE1 PHE A 45 -6.511 -0.043 7.613 1.00 6.68 C ATOM 727 CE2 PHE A 45 -6.477 -2.085 8.843 1.00 6.64 C ATOM 728 CZ PHE A 45 -7.149 -0.967 8.406 1.00 6.84 C ATOM 0 H PHE A 45 -0.975 -2.676 6.887 1.00 6.75 H new ATOM 0 HA PHE A 45 -2.187 -0.052 7.429 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -3.323 -1.485 5.853 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -3.170 -2.877 6.908 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -4.822 0.307 6.347 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -4.666 -3.229 8.749 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -6.975 0.911 7.409 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -6.956 -2.756 9.541 1.00 6.64 H new ATOM 0 HZ PHE A 45 -8.181 -0.815 8.687 1.00 6.84 H new ATOM 738 N ALA A 46 -2.202 -0.338 9.910 1.00 6.53 N ATOM 739 CA ALA A 46 -2.058 -0.227 11.329 1.00 7.15 C ATOM 740 C ALA A 46 -0.770 -0.832 11.772 1.00 9.00 C ATOM 741 O ALA A 46 0.247 -0.152 11.646 1.00 11.15 O ATOM 742 CB ALA A 46 -3.344 -0.684 12.038 1.00 8.99 C ATOM 0 H ALA A 46 -2.344 0.591 9.512 1.00 6.53 H new ATOM 0 HA ALA A 46 -1.961 0.813 11.640 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -3.217 -0.593 13.117 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -4.178 -0.060 11.717 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -3.550 -1.724 11.783 1.00 8.99 H new ATOM 748 N GLY A 47 -0.755 -2.161 11.979 1.00 9.35 N ATOM 749 CA GLY A 47 0.423 -2.939 12.204 1.00 11.68 C ATOM 750 C GLY A 47 0.293 -4.325 11.674 1.00 11.14 C ATOM 751 O GLY A 47 0.981 -5.273 12.048 1.00 13.93 O ATOM 0 H GLY A 47 -1.608 -2.720 11.990 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.275 -2.450 11.732 1.00 11.68 H new ATOM 0 HA3 GLY A 47 0.631 -2.979 13.273 1.00 11.68 H new ATOM 755 N LYS A 48 -0.483 -4.498 10.589 1.00 10.47 N ATOM 756 CA LYS A 48 -0.591 -5.763 9.930 1.00 8.82 C ATOM 757 C LYS A 48 0.299 -5.780 8.735 1.00 7.68 C ATOM 758 O LYS A 48 0.347 -4.776 8.026 1.00 6.47 O ATOM 759 CB LYS A 48 -2.023 -5.902 9.388 1.00 9.74 C ATOM 760 CG LYS A 48 -2.996 -6.325 10.491 1.00 14.14 C ATOM 761 CD LYS A 48 -4.252 -6.929 9.861 1.00 16.32 C ATOM 762 CE LYS A 48 -5.368 -7.445 10.771 1.00 20.04 C ATOM 763 NZ LYS A 48 -6.302 -6.411 11.271 1.00 23.92 N ATOM 0 H LYS A 48 -1.040 -3.756 10.165 1.00 10.47 H new ATOM 0 HA LYS A 48 -0.329 -6.555 10.632 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -2.346 -4.953 8.960 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -2.040 -6.637 8.583 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -2.521 -7.052 11.150 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -3.262 -5.465 11.105 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -4.686 -6.174 9.205 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -3.936 -7.758 9.228 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -5.940 -8.196 10.227 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -4.915 -7.947 11.626 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -7.021 -6.856 11.877 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -5.775 -5.704 11.822 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -6.768 -5.946 10.466 1.00 23.92 H new ATOM 777 N GLN A 49 0.978 -6.888 8.387 1.00 8.89 N ATOM 778 CA GLN A 49 1.740 -7.019 7.185 1.00 7.18 C ATOM 779 C GLN A 49 1.007 -7.500 5.980 1.00 8.23 C ATOM 780 O GLN A 49 0.572 -8.647 5.887 1.00 9.70 O ATOM 781 CB GLN A 49 2.833 -8.060 7.480 1.00 11.67 C ATOM 782 CG GLN A 49 4.006 -7.865 6.517 1.00 15.82 C ATOM 783 CD GLN A 49 5.231 -8.670 6.927 1.00 20.21 C ATOM 784 OE1 GLN A 49 5.454 -9.791 6.473 1.00 23.23 O ATOM 785 NE2 GLN A 49 6.126 -8.053 7.744 1.00 20.67 N ATOM 0 H GLN A 49 0.996 -7.727 8.967 1.00 8.89 H new ATOM 0 HA GLN A 49 2.087 -6.016 6.937 1.00 7.18 H new ATOM 0 HB2 GLN A 49 3.175 -7.960 8.510 1.00 11.67 H new ATOM 0 HB3 GLN A 49 2.428 -9.066 7.375 1.00 11.67 H new ATOM 0 HG2 GLN A 49 3.701 -8.158 5.513 1.00 15.82 H new ATOM 0 HG3 GLN A 49 4.267 -6.807 6.475 1.00 15.82 H new ATOM 0 HE21 GLN A 49 5.924 -7.123 8.111 1.00 20.67 H new ATOM 0 HE22 GLN A 49 6.999 -8.520 7.989 1.00 20.67 H new ATOM 794 N LEU A 50 0.754 -6.644 4.975 1.00 6.51 N ATOM 795 CA LEU A 50 -0.218 -6.827 3.941 1.00 7.41 C ATOM 796 C LEU A 50 0.079 -7.863 2.912 1.00 8.27 C ATOM 797 O LEU A 50 1.082 -7.790 2.204 1.00 8.34 O ATOM 798 CB LEU A 50 -0.743 -5.487 3.398 1.00 7.13 C ATOM 799 CG LEU A 50 -1.591 -4.545 4.270 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.781 -3.143 3.667 1.00 9.11 C ATOM 801 CD2 LEU A 50 -2.948 -5.251 4.430 1.00 8.14 C ATOM 0 H LEU A 50 1.263 -5.765 4.878 1.00 6.51 H new ATOM 0 HA LEU A 50 -1.060 -7.303 4.444 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.125 -4.917 3.067 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.333 -5.714 2.510 1.00 7.13 H new ATOM 0 HG LEU A 50 -1.086 -4.368 5.220 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -2.389 -2.537 4.339 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.808 -2.670 3.532 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.281 -3.227 2.702 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -3.608 -4.637 5.042 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -3.398 -5.400 3.449 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -2.801 -6.217 4.912 1.00 8.14 H new ATOM 813 N GLU A 51 -0.765 -8.904 2.800 1.00 9.43 N ATOM 814 CA GLU A 51 -0.697 -9.989 1.872 1.00 11.90 C ATOM 815 C GLU A 51 -1.110 -9.509 0.523 1.00 11.49 C ATOM 816 O GLU A 51 -2.252 -9.103 0.314 1.00 9.88 O ATOM 817 CB GLU A 51 -1.396 -11.224 2.465 1.00 16.56 C ATOM 818 CG GLU A 51 -0.702 -12.491 1.959 1.00 26.06 C ATOM 819 CD GLU A 51 -1.504 -13.647 2.538 1.00 29.86 C ATOM 820 OE1 GLU A 51 -2.709 -13.889 2.257 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.944 -14.419 3.362 1.00 32.13 O ATOM 0 H GLU A 51 -1.571 -8.992 3.419 1.00 9.43 H new ATOM 0 HA GLU A 51 0.317 -10.351 1.703 1.00 11.90 H new ATOM 0 HB2 GLU A 51 -1.362 -11.187 3.554 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -2.448 -11.233 2.179 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.692 -12.526 0.870 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.336 -12.529 2.288 1.00 26.06 H new ATOM 828 N ASP A 52 -0.203 -9.503 -0.469 1.00 12.71 N ATOM 829 CA ASP A 52 -0.297 -8.782 -1.701 1.00 16.56 C ATOM 830 C ASP A 52 -1.418 -9.212 -2.584 1.00 15.83 C ATOM 831 O ASP A 52 -2.077 -8.442 -3.281 1.00 17.21 O ATOM 832 CB ASP A 52 1.049 -8.671 -2.436 1.00 21.05 C ATOM 833 CG ASP A 52 2.075 -8.206 -1.413 1.00 25.12 C ATOM 834 OD1 ASP A 52 2.669 -9.080 -0.727 1.00 25.82 O ATOM 835 OD2 ASP A 52 2.438 -7.000 -1.366 1.00 28.37 O ATOM 0 H ASP A 52 0.660 -10.043 -0.405 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.563 -7.767 -1.406 1.00 16.56 H new ATOM 0 HB2 ASP A 52 1.337 -9.632 -2.862 1.00 21.05 H new ATOM 0 HB3 ASP A 52 0.980 -7.964 -3.263 1.00 21.05 H new ATOM 840 N GLY A 53 -1.725 -10.521 -2.548 1.00 15.00 N ATOM 841 CA GLY A 53 -2.694 -11.201 -3.351 1.00 11.77 C ATOM 842 C GLY A 53 -4.046 -11.253 -2.728 1.00 11.10 C ATOM 843 O GLY A 53 -4.860 -12.118 -3.049 1.00 11.25 O ATOM 0 H GLY A 53 -1.255 -11.156 -1.902 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -2.767 -10.704 -4.318 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -2.350 -12.218 -3.540 1.00 11.77 H new ATOM 847 N ARG A 54 -4.291 -10.423 -1.699 1.00 8.53 N ATOM 848 CA ARG A 54 -5.617 -10.088 -1.283 1.00 9.05 C ATOM 849 C ARG A 54 -5.982 -8.760 -1.852 1.00 8.96 C ATOM 850 O ARG A 54 -5.232 -7.979 -2.434 1.00 11.60 O ATOM 851 CB ARG A 54 -5.812 -10.113 0.243 1.00 7.97 C ATOM 852 CG ARG A 54 -5.381 -11.400 0.950 1.00 9.62 C ATOM 853 CD ARG A 54 -5.645 -11.396 2.457 1.00 12.20 C ATOM 854 NE ARG A 54 -4.972 -12.547 3.122 1.00 18.23 N ATOM 855 CZ ARG A 54 -5.078 -13.006 4.403 1.00 22.08 C ATOM 856 NH1 ARG A 54 -5.928 -12.483 5.333 1.00 23.38 N ATOM 857 NH2 ARG A 54 -4.387 -14.143 4.708 1.00 25.50 N ATOM 0 H ARG A 54 -3.558 -9.978 -1.147 1.00 8.53 H new ATOM 0 HA ARG A 54 -6.286 -10.859 -1.667 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -5.256 -9.280 0.675 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -6.866 -9.938 0.458 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -5.906 -12.243 0.501 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -4.317 -11.559 0.778 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -5.287 -10.462 2.890 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -6.718 -11.442 2.642 1.00 12.20 H new ATOM 0 HE ARG A 54 -4.332 -13.074 2.527 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -6.534 -11.701 5.087 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -5.957 -12.874 6.274 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -3.826 -14.606 3.993 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -4.431 -14.529 5.651 1.00 25.50 H new ATOM 871 N THR A 55 -7.261 -8.365 -1.720 1.00 9.05 N ATOM 872 CA THR A 55 -7.759 -7.082 -2.110 1.00 9.03 C ATOM 873 C THR A 55 -7.975 -6.140 -0.977 1.00 8.15 C ATOM 874 O THR A 55 -7.757 -6.345 0.217 1.00 5.91 O ATOM 875 CB THR A 55 -9.051 -7.264 -2.851 1.00 11.15 C ATOM 876 OG1 THR A 55 -10.180 -7.576 -2.049 1.00 11.95 O ATOM 877 CG2 THR A 55 -8.957 -8.383 -3.902 1.00 11.71 C ATOM 0 H THR A 55 -7.981 -8.968 -1.323 1.00 9.05 H new ATOM 0 HA THR A 55 -6.991 -6.632 -2.740 1.00 9.03 H new ATOM 0 HB THR A 55 -9.202 -6.281 -3.298 1.00 11.15 H new ATOM 0 HG1 THR A 55 -10.041 -8.441 -1.611 1.00 11.95 H new ATOM 0 HG21 THR A 55 -9.914 -8.481 -4.415 1.00 11.71 H new ATOM 0 HG22 THR A 55 -8.180 -8.138 -4.626 1.00 11.71 H new ATOM 0 HG23 THR A 55 -8.710 -9.324 -3.410 1.00 11.71 H new ATOM 885 N LEU A 56 -8.465 -4.938 -1.331 1.00 6.91 N ATOM 886 CA LEU A 56 -8.727 -3.972 -0.310 1.00 8.29 C ATOM 887 C LEU A 56 -10.035 -4.260 0.343 1.00 8.05 C ATOM 888 O LEU A 56 -10.307 -3.786 1.445 1.00 10.17 O ATOM 889 CB LEU A 56 -8.902 -2.547 -0.861 1.00 6.60 C ATOM 890 CG LEU A 56 -7.636 -1.833 -1.364 1.00 7.73 C ATOM 891 CD1 LEU A 56 -8.053 -0.599 -2.181 1.00 8.64 C ATOM 892 CD2 LEU A 56 -6.564 -1.485 -0.318 1.00 9.85 C ATOM 0 H LEU A 56 -8.673 -4.642 -2.285 1.00 6.91 H new ATOM 0 HA LEU A 56 -7.871 -4.033 0.362 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -9.618 -2.587 -1.682 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -9.349 -1.934 -0.079 1.00 6.60 H new ATOM 0 HG LEU A 56 -7.120 -2.567 -1.983 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -7.163 -0.085 -2.543 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -8.661 -0.913 -3.029 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -8.631 0.076 -1.550 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -5.727 -0.986 -0.807 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.992 -0.823 0.435 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -6.212 -2.399 0.160 1.00 9.85 H new ATOM 904 N SER A 57 -10.930 -5.060 -0.263 1.00 8.92 N ATOM 905 CA SER A 57 -12.187 -5.442 0.302 1.00 9.00 C ATOM 906 C SER A 57 -11.961 -6.362 1.453 1.00 9.44 C ATOM 907 O SER A 57 -12.666 -6.295 2.458 1.00 10.91 O ATOM 908 CB SER A 57 -13.120 -6.110 -0.722 1.00 10.32 C ATOM 909 OG SER A 57 -14.449 -6.114 -0.223 1.00 13.59 O ATOM 0 H SER A 57 -10.770 -5.458 -1.188 1.00 8.92 H new ATOM 0 HA SER A 57 -12.680 -4.530 0.638 1.00 9.00 H new ATOM 0 HB2 SER A 57 -13.078 -5.575 -1.671 1.00 10.32 H new ATOM 0 HB3 SER A 57 -12.791 -7.131 -0.917 1.00 10.32 H new ATOM 0 HG SER A 57 -15.043 -6.538 -0.877 1.00 13.59 H new ATOM 915 N ASP A 58 -11.020 -7.305 1.266 1.00 9.11 N ATOM 916 CA ASP A 58 -10.578 -8.300 2.193 1.00 7.91 C ATOM 917 C ASP A 58 -10.121 -7.760 3.505 1.00 9.12 C ATOM 918 O ASP A 58 -10.487 -8.241 4.576 1.00 8.61 O ATOM 919 CB ASP A 58 -9.457 -9.194 1.638 1.00 8.41 C ATOM 920 CG ASP A 58 -9.932 -9.904 0.378 1.00 11.50 C ATOM 921 OD1 ASP A 58 -11.024 -10.530 0.436 1.00 11.70 O ATOM 922 OD2 ASP A 58 -9.284 -9.766 -0.694 1.00 10.05 O ATOM 0 H ASP A 58 -10.522 -7.375 0.379 1.00 9.11 H new ATOM 0 HA ASP A 58 -11.480 -8.891 2.353 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -8.577 -8.591 1.415 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -9.160 -9.927 2.388 1.00 8.41 H new ATOM 927 N TYR A 59 -9.310 -6.687 3.521 1.00 7.97 N ATOM 928 CA TYR A 59 -8.753 -6.201 4.745 1.00 8.45 C ATOM 929 C TYR A 59 -9.642 -5.148 5.312 1.00 10.98 C ATOM 930 O TYR A 59 -9.349 -4.524 6.331 1.00 12.95 O ATOM 931 CB TYR A 59 -7.385 -5.577 4.422 1.00 7.94 C ATOM 932 CG TYR A 59 -6.350 -6.647 4.491 1.00 6.91 C ATOM 933 CD1 TYR A 59 -5.899 -7.121 5.701 1.00 6.98 C ATOM 934 CD2 TYR A 59 -5.723 -7.069 3.343 1.00 4.59 C ATOM 935 CE1 TYR A 59 -4.963 -8.127 5.746 1.00 6.52 C ATOM 936 CE2 TYR A 59 -4.700 -7.986 3.390 1.00 5.39 C ATOM 937 CZ TYR A 59 -4.416 -8.612 4.581 1.00 6.76 C ATOM 938 OH TYR A 59 -3.337 -9.521 4.604 1.00 7.63 O ATOM 0 H TYR A 59 -9.041 -6.158 2.691 1.00 7.97 H new ATOM 0 HA TYR A 59 -8.652 -7.013 5.465 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -7.399 -5.127 3.430 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -7.155 -4.781 5.130 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -6.282 -6.701 6.619 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -6.039 -6.674 2.389 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -4.657 -8.537 6.697 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -4.127 -8.212 2.503 1.00 5.39 H new ATOM 0 HH TYR A 59 -3.646 -10.403 4.308 1.00 7.63 H new ATOM 948 N ASN A 60 -10.756 -4.870 4.612 1.00 12.38 N ATOM 949 CA ASN A 60 -11.724 -3.829 4.765 1.00 13.94 C ATOM 950 C ASN A 60 -11.091 -2.484 4.864 1.00 14.16 C ATOM 951 O ASN A 60 -11.391 -1.770 5.819 1.00 14.26 O ATOM 952 CB ASN A 60 -12.558 -4.213 5.999 1.00 19.23 C ATOM 953 CG ASN A 60 -13.399 -5.408 5.574 1.00 22.65 C ATOM 954 OD1 ASN A 60 -14.272 -5.358 4.709 1.00 25.45 O ATOM 955 ND2 ASN A 60 -13.124 -6.602 6.164 1.00 24.09 N ATOM 0 H ASN A 60 -11.009 -5.467 3.825 1.00 12.38 H new ATOM 0 HA ASN A 60 -12.367 -3.743 3.889 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -11.915 -4.467 6.842 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -13.189 -3.384 6.318 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.639 -7.438 5.887 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -12.403 -6.661 6.883 1.00 24.09 H new ATOM 962 N ILE A 61 -10.192 -2.085 3.946 1.00 11.08 N ATOM 963 CA ILE A 61 -9.551 -0.807 3.966 1.00 11.78 C ATOM 964 C ILE A 61 -10.280 0.081 3.017 1.00 13.74 C ATOM 965 O ILE A 61 -10.199 -0.148 1.812 1.00 14.60 O ATOM 966 CB ILE A 61 -8.100 -0.881 3.592 1.00 11.80 C ATOM 967 CG1 ILE A 61 -7.268 -1.803 4.500 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.416 0.492 3.698 1.00 13.29 C ATOM 969 CD1 ILE A 61 -6.138 -2.379 3.648 1.00 11.42 C ATOM 0 H ILE A 61 -9.902 -2.672 3.164 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.585 -0.415 4.982 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.121 -1.266 2.572 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -6.866 -1.247 5.347 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -7.887 -2.602 4.908 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.366 0.398 3.419 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -7.908 1.196 3.027 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.488 0.856 4.723 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -5.523 -3.041 4.258 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -6.561 -2.942 2.816 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -5.523 -1.566 3.262 1.00 11.42 H new ATOM 981 N GLN A 62 -10.914 1.116 3.597 1.00 13.97 N ATOM 982 CA GLN A 62 -11.859 2.031 3.036 1.00 15.52 C ATOM 983 C GLN A 62 -11.197 3.313 2.664 1.00 13.94 C ATOM 984 O GLN A 62 -9.968 3.382 2.659 1.00 12.15 O ATOM 985 CB GLN A 62 -12.935 2.415 4.065 1.00 19.53 C ATOM 986 CG GLN A 62 -13.773 1.165 4.337 1.00 26.38 C ATOM 987 CD GLN A 62 -15.118 1.642 4.868 1.00 30.61 C ATOM 988 OE1 GLN A 62 -15.299 2.576 5.647 1.00 33.23 O ATOM 989 NE2 GLN A 62 -16.177 1.095 4.214 1.00 32.71 N ATOM 0 H GLN A 62 -10.740 1.334 4.578 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.291 1.529 2.170 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.475 2.777 4.985 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -13.561 3.221 3.683 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -13.903 0.581 3.426 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -13.279 0.519 5.062 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -16.032 0.320 3.567 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -17.117 1.460 4.370 1.00 32.71 H new ATOM 998 N LYS A 63 -11.990 4.319 2.255 1.00 11.73 N ATOM 999 CA LYS A 63 -11.416 5.534 1.765 1.00 11.97 C ATOM 1000 C LYS A 63 -10.778 6.281 2.885 1.00 10.41 C ATOM 1001 O LYS A 63 -11.141 6.160 4.054 1.00 9.59 O ATOM 1002 CB LYS A 63 -12.398 6.401 0.958 1.00 13.73 C ATOM 1003 CG LYS A 63 -13.449 7.105 1.818 1.00 16.98 C ATOM 1004 CD LYS A 63 -14.338 8.036 0.991 1.00 20.19 C ATOM 1005 CE LYS A 63 -15.488 8.657 1.786 1.00 23.42 C ATOM 1006 NZ LYS A 63 -16.609 7.719 2.019 1.00 25.97 N ATOM 0 H LYS A 63 -13.010 4.294 2.262 1.00 11.73 H new ATOM 0 HA LYS A 63 -10.644 5.262 1.045 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -11.835 7.151 0.403 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -12.903 5.774 0.224 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -14.069 6.359 2.315 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -12.952 7.679 2.600 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -13.724 8.834 0.574 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -14.750 7.478 0.150 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -15.110 9.007 2.747 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -15.860 9.532 1.252 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -17.356 8.198 2.562 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -16.993 7.404 1.106 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -16.267 6.895 2.554 1.00 25.97 H new ATOM 1020 N GLU A 64 -9.688 7.000 2.565 1.00 10.04 N ATOM 1021 CA GLU A 64 -8.978 7.888 3.432 1.00 10.94 C ATOM 1022 C GLU A 64 -8.213 7.192 4.505 1.00 9.74 C ATOM 1023 O GLU A 64 -7.792 7.869 5.441 1.00 9.42 O ATOM 1024 CB GLU A 64 -9.723 9.143 3.916 1.00 18.31 C ATOM 1025 CG GLU A 64 -10.077 10.084 2.762 1.00 24.16 C ATOM 1026 CD GLU A 64 -10.899 11.294 3.183 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -11.003 11.572 4.407 1.00 32.61 O ATOM 1028 OE2 GLU A 64 -11.316 12.042 2.258 1.00 31.72 O ATOM 0 H GLU A 64 -9.274 6.957 1.634 1.00 10.04 H new ATOM 0 HA GLU A 64 -8.239 8.317 2.755 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -10.635 8.846 4.433 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -9.105 9.674 4.640 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -9.156 10.429 2.291 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -10.631 9.525 2.007 1.00 24.16 H new ATOM 1035 N SER A 65 -7.974 5.875 4.379 1.00 6.85 N ATOM 1036 CA SER A 65 -7.234 5.135 5.355 1.00 6.90 C ATOM 1037 C SER A 65 -5.765 5.264 5.145 1.00 4.72 C ATOM 1038 O SER A 65 -5.359 5.129 3.992 1.00 3.91 O ATOM 1039 CB SER A 65 -7.558 3.636 5.462 1.00 7.28 C ATOM 1040 OG SER A 65 -8.512 3.403 6.488 1.00 10.56 O ATOM 0 H SER A 65 -8.298 5.315 3.590 1.00 6.85 H new ATOM 0 HA SER A 65 -7.554 5.596 6.289 1.00 6.90 H new ATOM 0 HB2 SER A 65 -7.944 3.273 4.510 1.00 7.28 H new ATOM 0 HB3 SER A 65 -6.647 3.075 5.671 1.00 7.28 H new ATOM 0 HG SER A 65 -8.708 2.444 6.541 1.00 10.56 H new ATOM 1046 N THR A 66 -4.961 5.461 6.205 1.00 4.48 N ATOM 1047 CA THR A 66 -3.546 5.629 6.086 1.00 3.80 C ATOM 1048 C THR A 66 -2.847 4.321 6.234 1.00 4.60 C ATOM 1049 O THR A 66 -3.236 3.618 7.165 1.00 5.33 O ATOM 1050 CB THR A 66 -3.048 6.555 7.156 1.00 2.85 C ATOM 1051 OG1 THR A 66 -3.616 7.854 7.071 1.00 2.15 O ATOM 1052 CG2 THR A 66 -1.534 6.807 7.057 1.00 3.40 C ATOM 0 H THR A 66 -5.301 5.505 7.166 1.00 4.48 H new ATOM 0 HA THR A 66 -3.338 6.045 5.100 1.00 3.80 H new ATOM 0 HB THR A 66 -3.326 6.047 8.079 1.00 2.85 H new ATOM 0 HG1 THR A 66 -3.259 8.415 7.791 1.00 2.15 H new ATOM 0 HG21 THR A 66 -1.225 7.483 7.854 1.00 3.40 H new ATOM 0 HG22 THR A 66 -1.001 5.862 7.156 1.00 3.40 H new ATOM 0 HG23 THR A 66 -1.302 7.255 6.091 1.00 3.40 H new ATOM 1060 N LEU A 67 -1.926 3.958 5.324 1.00 4.17 N ATOM 1061 CA LEU A 67 -0.976 2.893 5.415 1.00 3.85 C ATOM 1062 C LEU A 67 0.388 3.428 5.686 1.00 3.80 C ATOM 1063 O LEU A 67 0.593 4.640 5.630 1.00 5.54 O ATOM 1064 CB LEU A 67 -0.762 2.107 4.110 1.00 7.18 C ATOM 1065 CG LEU A 67 -1.762 0.992 3.762 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -3.220 1.417 4.009 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -1.552 0.617 2.285 1.00 8.12 C ATOM 0 H LEU A 67 -1.840 4.460 4.440 1.00 4.17 H new ATOM 0 HA LEU A 67 -1.394 2.258 6.197 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -0.760 2.822 3.287 1.00 7.18 H new ATOM 0 HB3 LEU A 67 0.233 1.663 4.148 1.00 7.18 H new ATOM 0 HG LEU A 67 -1.580 0.135 4.411 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.888 0.596 3.748 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -3.352 1.672 5.061 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -3.455 2.285 3.393 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -2.249 -0.174 2.008 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -1.728 1.492 1.659 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -0.530 0.267 2.140 1.00 8.12 H new ATOM 1079 N HIS A 68 1.372 2.554 5.962 1.00 2.94 N ATOM 1080 CA HIS A 68 2.755 2.898 6.078 1.00 4.17 C ATOM 1081 C HIS A 68 3.556 2.315 4.965 1.00 5.32 C ATOM 1082 O HIS A 68 3.419 1.187 4.494 1.00 7.70 O ATOM 1083 CB HIS A 68 3.435 2.568 7.417 1.00 5.57 C ATOM 1084 CG HIS A 68 2.613 2.916 8.623 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.492 2.232 9.045 1.00 13.74 N ATOM 1086 CD2 HIS A 68 3.113 3.602 9.685 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.408 2.507 10.374 1.00 14.75 C ATOM 1088 NE2 HIS A 68 2.283 3.412 10.771 1.00 16.30 N ATOM 0 H HIS A 68 1.195 1.561 6.111 1.00 2.94 H new ATOM 0 HA HIS A 68 2.739 3.986 6.023 1.00 4.17 H new ATOM 0 HB2 HIS A 68 3.665 1.503 7.443 1.00 5.57 H new ATOM 0 HB3 HIS A 68 4.384 3.101 7.471 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.867 1.651 8.486 1.00 13.74 H new ATOM 0 HD2 HIS A 68 4.013 4.199 9.680 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.698 2.034 11.036 1.00 14.75 H new ATOM 1096 N LEU A 69 4.593 3.036 4.501 1.00 5.29 N ATOM 1097 CA LEU A 69 5.476 2.538 3.493 1.00 3.97 C ATOM 1098 C LEU A 69 6.862 2.495 4.038 1.00 5.07 C ATOM 1099 O LEU A 69 7.363 3.481 4.577 1.00 4.34 O ATOM 1100 CB LEU A 69 5.481 3.362 2.194 1.00 6.08 C ATOM 1101 CG LEU A 69 6.452 2.939 1.079 1.00 7.37 C ATOM 1102 CD1 LEU A 69 6.253 1.463 0.693 1.00 9.96 C ATOM 1103 CD2 LEU A 69 6.327 3.834 -0.165 1.00 6.87 C ATOM 0 H LEU A 69 4.821 3.975 4.829 1.00 5.29 H new ATOM 0 HA LEU A 69 5.109 1.546 3.230 1.00 3.97 H new ATOM 0 HB2 LEU A 69 4.472 3.345 1.783 1.00 6.08 H new ATOM 0 HB3 LEU A 69 5.702 4.397 2.455 1.00 6.08 H new ATOM 0 HG LEU A 69 7.458 3.061 1.479 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.954 1.196 -0.097 1.00 9.96 H new ATOM 0 HD12 LEU A 69 6.430 0.832 1.564 1.00 9.96 H new ATOM 0 HD13 LEU A 69 5.233 1.314 0.339 1.00 9.96 H new ATOM 0 HD21 LEU A 69 7.031 3.499 -0.927 1.00 6.87 H new ATOM 0 HD22 LEU A 69 5.312 3.772 -0.557 1.00 6.87 H new ATOM 0 HD23 LEU A 69 6.549 4.866 0.106 1.00 6.87 H new ATOM 1115 N VAL A 70 7.564 1.367 3.833 1.00 4.29 N ATOM 1116 CA VAL A 70 8.846 1.064 4.390 1.00 6.26 C ATOM 1117 C VAL A 70 9.638 0.291 3.392 1.00 9.22 C ATOM 1118 O VAL A 70 9.176 -0.635 2.728 1.00 9.36 O ATOM 1119 CB VAL A 70 8.709 0.245 5.639 1.00 8.69 C ATOM 1120 CG1 VAL A 70 10.129 0.191 6.228 1.00 9.76 C ATOM 1121 CG2 VAL A 70 7.785 0.990 6.617 1.00 8.54 C ATOM 0 H VAL A 70 7.212 0.617 3.238 1.00 4.29 H new ATOM 0 HA VAL A 70 9.347 2.000 4.638 1.00 6.26 H new ATOM 0 HB VAL A 70 8.297 -0.747 5.454 1.00 8.69 H new ATOM 0 HG11 VAL A 70 10.119 -0.392 7.149 1.00 9.76 H new ATOM 0 HG12 VAL A 70 10.803 -0.276 5.510 1.00 9.76 H new ATOM 0 HG13 VAL A 70 10.472 1.203 6.443 1.00 9.76 H new ATOM 0 HG21 VAL A 70 7.676 0.406 7.531 1.00 8.54 H new ATOM 0 HG22 VAL A 70 8.217 1.962 6.857 1.00 8.54 H new ATOM 0 HG23 VAL A 70 6.807 1.131 6.157 1.00 8.54 H new ATOM 1131 N LEU A 71 10.892 0.720 3.160 1.00 12.71 N ATOM 1132 CA LEU A 71 11.831 -0.088 2.446 1.00 16.06 C ATOM 1133 C LEU A 71 12.272 -1.209 3.323 1.00 18.09 C ATOM 1134 O LEU A 71 12.892 -0.937 4.350 1.00 19.26 O ATOM 1135 CB LEU A 71 13.051 0.773 2.078 1.00 17.10 C ATOM 1136 CG LEU A 71 12.774 2.100 1.352 1.00 19.37 C ATOM 1137 CD1 LEU A 71 14.127 2.732 0.981 1.00 19.57 C ATOM 1138 CD2 LEU A 71 11.979 1.839 0.061 1.00 17.51 C ATOM 0 H LEU A 71 11.254 1.623 3.466 1.00 12.71 H new ATOM 0 HA LEU A 71 11.370 -0.485 1.542 1.00 16.06 H new ATOM 0 HB2 LEU A 71 13.598 0.996 2.994 1.00 17.10 H new ATOM 0 HB3 LEU A 71 13.711 0.175 1.450 1.00 17.10 H new ATOM 0 HG LEU A 71 12.197 2.761 1.999 1.00 19.37 H new ATOM 0 HD11 LEU A 71 13.958 3.676 0.464 1.00 19.57 H new ATOM 0 HD12 LEU A 71 14.705 2.913 1.887 1.00 19.57 H new ATOM 0 HD13 LEU A 71 14.678 2.055 0.329 1.00 19.57 H new ATOM 0 HD21 LEU A 71 11.788 2.785 -0.446 1.00 17.51 H new ATOM 0 HD22 LEU A 71 12.554 1.186 -0.595 1.00 17.51 H new ATOM 0 HD23 LEU A 71 11.031 1.361 0.308 1.00 17.51 H new