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 22 THR OG1 : rot 180:sc= 0.164 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.238 K(o=0.4,f=-0.16) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.593 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.00202 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.0881 (180deg=-0.665) USER MOD Single : A 1 MET N :NH3+ 166:sc= 1.21 (180deg=1.05) USER MOD Single : A 2 GLN : amide:sc= -0.0358 K(o=-0.036,f=-1.2!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 144:sc= 1.2 (180deg=0.547) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= 1.18 (180deg=0.324) USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.2) USER MOD Single : A 31 GLN : amide:sc= -0.0586 X(o=-0.059,f=-0.076) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 41 GLN : amide:sc= -0.0691 K(o=-0.069,f=-0.87) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.0388 (180deg=-0.151) USER MOD Single : A 49 GLN : amide:sc= -0.0556 X(o=-0.056,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.000778 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= -0.102 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 125:sc= 0.306 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0247 X(o=-0.025,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.321 4.738 -5.015 1.00 9.67 N ATOM 2 CA MET A 1 -12.253 5.132 -3.590 1.00 10.38 C ATOM 3 C MET A 1 -10.965 5.775 -3.209 1.00 9.62 C ATOM 4 O MET A 1 -9.990 5.629 -3.945 1.00 9.62 O ATOM 5 CB MET A 1 -12.481 3.888 -2.713 1.00 13.77 C ATOM 6 CG MET A 1 -11.487 2.726 -2.739 1.00 16.29 C ATOM 7 SD MET A 1 -12.020 1.240 -1.837 1.00 17.17 S ATOM 8 CE MET A 1 -10.428 0.369 -1.901 1.00 16.11 C ATOM 0 H1 MET A 1 -13.126 4.096 -5.160 1.00 9.67 H new ATOM 0 H2 MET A 1 -12.445 5.586 -5.604 1.00 9.67 H new ATOM 0 H3 MET A 1 -11.440 4.255 -5.284 1.00 9.67 H new ATOM 0 HA MET A 1 -13.032 5.878 -3.431 1.00 10.38 H new ATOM 0 HB2 MET A 1 -12.548 4.231 -1.680 1.00 13.77 H new ATOM 0 HB3 MET A 1 -13.457 3.482 -2.978 1.00 13.77 H new ATOM 0 HG2 MET A 1 -11.296 2.454 -3.777 1.00 16.29 H new ATOM 0 HG3 MET A 1 -10.541 3.067 -2.320 1.00 16.29 H new ATOM 0 HE1 MET A 1 -10.589 -0.696 -1.731 1.00 16.11 H new ATOM 0 HE2 MET A 1 -9.972 0.515 -2.880 1.00 16.11 H new ATOM 0 HE3 MET A 1 -9.766 0.764 -1.130 1.00 16.11 H new ATOM 20 N GLN A 2 -10.864 6.399 -2.022 1.00 9.27 N ATOM 21 CA GLN A 2 -9.643 6.972 -1.547 1.00 9.07 C ATOM 22 C GLN A 2 -9.034 6.094 -0.509 1.00 8.72 C ATOM 23 O GLN A 2 -9.572 5.773 0.550 1.00 8.22 O ATOM 24 CB GLN A 2 -9.817 8.361 -0.909 1.00 14.46 C ATOM 25 CG GLN A 2 -10.113 9.449 -1.942 1.00 17.01 C ATOM 26 CD GLN A 2 -10.639 10.665 -1.193 1.00 20.10 C ATOM 27 OE1 GLN A 2 -10.657 10.727 0.035 1.00 21.89 O ATOM 28 NE2 GLN A 2 -11.125 11.642 -2.006 1.00 19.49 N ATOM 0 H GLN A 2 -11.648 6.508 -1.378 1.00 9.27 H new ATOM 0 HA GLN A 2 -9.011 7.071 -2.430 1.00 9.07 H new ATOM 0 HB2 GLN A 2 -10.629 8.324 -0.183 1.00 14.46 H new ATOM 0 HB3 GLN A 2 -8.911 8.622 -0.362 1.00 14.46 H new ATOM 0 HG2 GLN A 2 -9.211 9.703 -2.499 1.00 17.01 H new ATOM 0 HG3 GLN A 2 -10.848 9.099 -2.667 1.00 17.01 H new ATOM 0 HE21 GLN A 2 -11.081 11.531 -3.019 1.00 19.49 H new ATOM 0 HE22 GLN A 2 -11.533 12.485 -1.602 1.00 19.49 H new ATOM 37 N ILE A 3 -7.790 5.653 -0.768 1.00 5.87 N ATOM 38 CA ILE A 3 -7.010 5.008 0.241 1.00 5.07 C ATOM 39 C ILE A 3 -5.845 5.823 0.688 1.00 4.01 C ATOM 40 O ILE A 3 -5.337 6.735 0.037 1.00 4.61 O ATOM 41 CB ILE A 3 -6.458 3.652 -0.085 1.00 6.55 C ATOM 42 CG1 ILE A 3 -5.432 3.555 -1.227 1.00 4.72 C ATOM 43 CG2 ILE A 3 -7.654 2.744 -0.414 1.00 5.58 C ATOM 44 CD1 ILE A 3 -4.587 2.295 -1.051 1.00 10.83 C ATOM 0 H ILE A 3 -7.326 5.743 -1.672 1.00 5.87 H new ATOM 0 HA ILE A 3 -7.764 4.891 1.019 1.00 5.07 H new ATOM 0 HB ILE A 3 -5.888 3.354 0.795 1.00 6.55 H new ATOM 0 HG12 ILE A 3 -5.945 3.530 -2.189 1.00 4.72 H new ATOM 0 HG13 ILE A 3 -4.792 4.437 -1.230 1.00 4.72 H new ATOM 0 HG21 ILE A 3 -7.295 1.744 -0.658 1.00 5.58 H new ATOM 0 HG22 ILE A 3 -8.319 2.691 0.448 1.00 5.58 H new ATOM 0 HG23 ILE A 3 -8.197 3.152 -1.266 1.00 5.58 H new ATOM 0 HD11 ILE A 3 -3.861 2.228 -1.861 1.00 10.83 H new ATOM 0 HD12 ILE A 3 -4.063 2.339 -0.096 1.00 10.83 H new ATOM 0 HD13 ILE A 3 -5.234 1.418 -1.070 1.00 10.83 H new ATOM 56 N PHE A 4 -5.550 5.657 1.989 1.00 4.55 N ATOM 57 CA PHE A 4 -4.508 6.398 2.631 1.00 4.68 C ATOM 58 C PHE A 4 -3.292 5.602 2.961 1.00 5.30 C ATOM 59 O PHE A 4 -3.421 4.432 3.315 1.00 5.58 O ATOM 60 CB PHE A 4 -5.019 7.000 3.951 1.00 4.83 C ATOM 61 CG PHE A 4 -6.071 8.052 3.876 1.00 7.97 C ATOM 62 CD1 PHE A 4 -6.341 8.825 2.771 1.00 6.69 C ATOM 63 CD2 PHE A 4 -6.814 8.258 5.014 1.00 8.34 C ATOM 64 CE1 PHE A 4 -7.456 9.628 2.711 1.00 9.10 C ATOM 65 CE2 PHE A 4 -7.837 9.177 4.998 1.00 10.61 C ATOM 66 CZ PHE A 4 -8.160 9.884 3.864 1.00 8.90 C ATOM 0 H PHE A 4 -6.038 5.004 2.602 1.00 4.55 H new ATOM 0 HA PHE A 4 -4.226 7.159 1.904 1.00 4.68 H new ATOM 0 HB2 PHE A 4 -5.404 6.185 4.563 1.00 4.83 H new ATOM 0 HB3 PHE A 4 -4.164 7.420 4.481 1.00 4.83 H new ATOM 0 HD1 PHE A 4 -5.662 8.801 1.931 1.00 6.69 H new ATOM 0 HD2 PHE A 4 -6.596 7.702 5.914 1.00 8.34 H new ATOM 0 HE1 PHE A 4 -7.775 10.052 1.770 1.00 9.10 H new ATOM 0 HE2 PHE A 4 -8.403 9.348 5.902 1.00 10.61 H new ATOM 0 HZ PHE A 4 -8.948 10.623 3.878 1.00 8.90 H new ATOM 76 N VAL A 5 -2.067 6.145 2.848 1.00 4.44 N ATOM 77 CA VAL A 5 -0.864 5.388 3.009 1.00 3.87 C ATOM 78 C VAL A 5 -0.067 6.228 3.946 1.00 4.93 C ATOM 79 O VAL A 5 0.138 7.414 3.694 1.00 6.84 O ATOM 80 CB VAL A 5 -0.092 5.096 1.756 1.00 2.99 C ATOM 81 CG1 VAL A 5 1.130 4.222 2.084 1.00 5.28 C ATOM 82 CG2 VAL A 5 -1.052 4.340 0.822 1.00 9.13 C ATOM 0 H VAL A 5 -1.908 7.131 2.640 1.00 4.44 H new ATOM 0 HA VAL A 5 -1.097 4.384 3.365 1.00 3.87 H new ATOM 0 HB VAL A 5 0.272 6.011 1.289 1.00 2.99 H new ATOM 0 HG11 VAL A 5 1.685 4.015 1.169 1.00 5.28 H new ATOM 0 HG12 VAL A 5 1.775 4.748 2.788 1.00 5.28 H new ATOM 0 HG13 VAL A 5 0.798 3.283 2.527 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.540 4.101 -0.110 1.00 9.13 H new ATOM 0 HG22 VAL A 5 -1.378 3.418 1.304 1.00 9.13 H new ATOM 0 HG23 VAL A 5 -1.920 4.964 0.609 1.00 9.13 H new ATOM 92 N LYS A 6 0.283 5.694 5.130 1.00 6.04 N ATOM 93 CA LYS A 6 0.771 6.557 6.161 1.00 6.12 C ATOM 94 C LYS A 6 2.168 6.189 6.525 1.00 6.57 C ATOM 95 O LYS A 6 2.252 5.071 7.031 1.00 5.76 O ATOM 96 CB LYS A 6 -0.177 6.653 7.369 1.00 7.45 C ATOM 97 CG LYS A 6 0.329 7.570 8.484 1.00 11.12 C ATOM 98 CD LYS A 6 -0.790 8.027 9.422 1.00 14.54 C ATOM 99 CE LYS A 6 -0.389 8.781 10.692 1.00 18.84 C ATOM 100 NZ LYS A 6 0.011 7.843 11.764 1.00 20.55 N ATOM 0 H LYS A 6 0.232 4.704 5.369 1.00 6.04 H new ATOM 0 HA LYS A 6 0.796 7.572 5.764 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.148 7.013 7.029 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.333 5.654 7.776 1.00 7.45 H new ATOM 0 HG2 LYS A 6 1.092 7.047 9.061 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.807 8.444 8.042 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.466 8.665 8.852 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.359 7.146 9.720 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.436 9.459 10.471 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.223 9.394 11.033 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.278 8.380 12.614 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.785 7.213 11.989 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.822 7.276 11.444 1.00 20.55 H new ATOM 114 N THR A 7 3.127 7.101 6.282 1.00 7.41 N ATOM 115 CA THR A 7 4.496 6.948 6.664 1.00 7.48 C ATOM 116 C THR A 7 4.680 6.872 8.141 1.00 8.75 C ATOM 117 O THR A 7 3.734 6.972 8.920 1.00 8.58 O ATOM 118 CB THR A 7 5.440 7.926 6.031 1.00 9.61 C ATOM 119 OG1 THR A 7 5.094 9.258 6.380 1.00 11.78 O ATOM 120 CG2 THR A 7 5.268 7.860 4.504 1.00 9.17 C ATOM 0 H THR A 7 2.940 7.980 5.800 1.00 7.41 H new ATOM 0 HA THR A 7 4.776 5.979 6.251 1.00 7.48 H new ATOM 0 HB THR A 7 6.448 7.677 6.363 1.00 9.61 H new ATOM 0 HG1 THR A 7 5.723 9.880 5.958 1.00 11.78 H new ATOM 0 HG21 THR A 7 5.949 8.567 4.030 1.00 9.17 H new ATOM 0 HG22 THR A 7 5.492 6.852 4.156 1.00 9.17 H new ATOM 0 HG23 THR A 7 4.241 8.115 4.242 1.00 9.17 H new ATOM 128 N LEU A 8 5.937 6.639 8.559 1.00 9.84 N ATOM 129 CA LEU A 8 6.298 6.528 9.938 1.00 14.15 C ATOM 130 C LEU A 8 6.165 7.820 10.668 1.00 17.37 C ATOM 131 O LEU A 8 5.720 7.862 11.814 1.00 17.01 O ATOM 132 CB LEU A 8 7.797 6.198 10.040 1.00 16.63 C ATOM 133 CG LEU A 8 8.386 6.043 11.452 1.00 18.88 C ATOM 134 CD1 LEU A 8 8.210 4.638 12.051 1.00 18.59 C ATOM 135 CD2 LEU A 8 9.899 6.271 11.297 1.00 19.31 C ATOM 0 H LEU A 8 6.724 6.525 7.920 1.00 9.84 H new ATOM 0 HA LEU A 8 5.641 5.769 10.362 1.00 14.15 H new ATOM 0 HB2 LEU A 8 7.977 5.271 9.495 1.00 16.63 H new ATOM 0 HB3 LEU A 8 8.352 6.983 9.526 1.00 16.63 H new ATOM 0 HG LEU A 8 7.875 6.742 12.114 1.00 18.88 H new ATOM 0 HD11 LEU A 8 8.651 4.609 13.047 1.00 18.59 H new ATOM 0 HD12 LEU A 8 7.148 4.401 12.117 1.00 18.59 H new ATOM 0 HD13 LEU A 8 8.706 3.906 11.413 1.00 18.59 H new ATOM 0 HD21 LEU A 8 10.383 6.175 12.269 1.00 19.31 H new ATOM 0 HD22 LEU A 8 10.310 5.530 10.612 1.00 19.31 H new ATOM 0 HD23 LEU A 8 10.078 7.270 10.900 1.00 19.31 H new ATOM 147 N THR A 9 6.484 8.954 10.018 1.00 18.33 N ATOM 148 CA THR A 9 6.635 10.249 10.605 1.00 19.24 C ATOM 149 C THR A 9 5.283 10.872 10.650 1.00 19.48 C ATOM 150 O THR A 9 4.855 11.432 11.658 1.00 23.14 O ATOM 151 CB THR A 9 7.678 11.094 9.935 1.00 18.97 C ATOM 152 OG1 THR A 9 7.478 11.095 8.529 1.00 20.24 O ATOM 153 CG2 THR A 9 9.091 10.600 10.289 1.00 19.70 C ATOM 0 H THR A 9 6.648 8.965 9.011 1.00 18.33 H new ATOM 0 HA THR A 9 7.025 10.156 11.619 1.00 19.24 H new ATOM 0 HB THR A 9 7.582 12.117 10.298 1.00 18.97 H new ATOM 0 HG1 THR A 9 8.163 11.651 8.102 1.00 20.24 H new ATOM 0 HG21 THR A 9 9.831 11.227 9.792 1.00 19.70 H new ATOM 0 HG22 THR A 9 9.236 10.654 11.368 1.00 19.70 H new ATOM 0 HG23 THR A 9 9.209 9.568 9.958 1.00 19.70 H new ATOM 161 N GLY A 10 4.562 10.810 9.516 1.00 19.43 N ATOM 162 CA GLY A 10 3.174 11.147 9.467 1.00 18.74 C ATOM 163 C GLY A 10 2.825 11.900 8.229 1.00 17.62 C ATOM 164 O GLY A 10 2.027 12.835 8.213 1.00 19.74 O ATOM 0 H GLY A 10 4.950 10.521 8.618 1.00 19.43 H new ATOM 0 HA2 GLY A 10 2.578 10.236 9.517 1.00 18.74 H new ATOM 0 HA3 GLY A 10 2.915 11.746 10.340 1.00 18.74 H new ATOM 168 N LYS A 11 3.408 11.474 7.094 1.00 13.56 N ATOM 169 CA LYS A 11 2.925 11.842 5.799 1.00 11.91 C ATOM 170 C LYS A 11 1.928 10.857 5.293 1.00 10.18 C ATOM 171 O LYS A 11 2.105 9.640 5.277 1.00 9.10 O ATOM 172 CB LYS A 11 4.011 12.004 4.722 1.00 13.43 C ATOM 173 CG LYS A 11 3.725 12.913 3.525 1.00 16.69 C ATOM 174 CD LYS A 11 4.951 13.136 2.637 1.00 17.92 C ATOM 175 CE LYS A 11 4.644 14.132 1.516 1.00 20.81 C ATOM 176 NZ LYS A 11 5.734 14.322 0.534 1.00 21.93 N ATOM 0 H LYS A 11 4.226 10.865 7.075 1.00 13.56 H new ATOM 0 HA LYS A 11 2.474 12.821 5.961 1.00 11.91 H new ATOM 0 HB2 LYS A 11 4.911 12.376 5.212 1.00 13.43 H new ATOM 0 HB3 LYS A 11 4.245 11.012 4.336 1.00 13.43 H new ATOM 0 HG2 LYS A 11 2.925 12.476 2.927 1.00 16.69 H new ATOM 0 HG3 LYS A 11 3.364 13.876 3.885 1.00 16.69 H new ATOM 0 HD2 LYS A 11 5.779 13.507 3.241 1.00 17.92 H new ATOM 0 HD3 LYS A 11 5.270 12.187 2.207 1.00 17.92 H new ATOM 0 HE2 LYS A 11 3.752 13.797 0.986 1.00 20.81 H new ATOM 0 HE3 LYS A 11 4.405 15.097 1.963 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 5.328 14.461 -0.413 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 6.295 15.157 0.796 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 6.346 13.481 0.528 1.00 21.93 H new ATOM 190 N THR A 12 0.758 11.442 4.979 1.00 9.63 N ATOM 191 CA THR A 12 -0.442 10.806 4.533 1.00 9.85 C ATOM 192 C THR A 12 -0.532 10.932 3.051 1.00 11.66 C ATOM 193 O THR A 12 -0.720 12.023 2.514 1.00 12.33 O ATOM 194 CB THR A 12 -1.764 11.277 5.062 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.716 11.150 6.475 1.00 10.91 O ATOM 196 CG2 THR A 12 -2.916 10.404 4.535 1.00 9.63 C ATOM 0 H THR A 12 0.644 12.454 5.044 1.00 9.63 H new ATOM 0 HA THR A 12 -0.320 9.797 4.927 1.00 9.85 H new ATOM 0 HB THR A 12 -1.940 12.305 4.744 1.00 10.85 H new ATOM 0 HG1 THR A 12 -2.566 11.451 6.860 1.00 10.91 H new ATOM 0 HG21 THR A 12 -3.862 10.769 4.935 1.00 9.63 H new ATOM 0 HG22 THR A 12 -2.940 10.452 3.446 1.00 9.63 H new ATOM 0 HG23 THR A 12 -2.763 9.372 4.850 1.00 9.63 H new ATOM 204 N ILE A 13 -0.303 9.835 2.308 1.00 10.42 N ATOM 205 CA ILE A 13 -0.309 9.797 0.878 1.00 11.84 C ATOM 206 C ILE A 13 -1.642 9.339 0.394 1.00 10.55 C ATOM 207 O ILE A 13 -2.105 8.264 0.773 1.00 11.92 O ATOM 208 CB ILE A 13 0.710 8.836 0.342 1.00 14.86 C ATOM 209 CG1 ILE A 13 2.177 9.124 0.703 1.00 14.87 C ATOM 210 CG2 ILE A 13 0.599 8.720 -1.188 1.00 17.08 C ATOM 211 CD1 ILE A 13 3.121 7.925 0.629 1.00 16.46 C ATOM 0 H ILE A 13 -0.103 8.927 2.727 1.00 10.42 H new ATOM 0 HA ILE A 13 -0.079 10.804 0.531 1.00 11.84 H new ATOM 0 HB ILE A 13 0.459 7.901 0.842 1.00 14.86 H new ATOM 0 HG12 ILE A 13 2.551 9.900 0.036 1.00 14.87 H new ATOM 0 HG13 ILE A 13 2.211 9.529 1.714 1.00 14.87 H new ATOM 0 HG21 ILE A 13 1.348 8.018 -1.555 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.396 8.362 -1.455 1.00 17.08 H new ATOM 0 HG23 ILE A 13 0.766 9.698 -1.640 1.00 17.08 H new ATOM 0 HD11 ILE A 13 4.129 8.238 0.902 1.00 16.46 H new ATOM 0 HD12 ILE A 13 2.782 7.152 1.318 1.00 16.46 H new ATOM 0 HD13 ILE A 13 3.127 7.529 -0.386 1.00 16.46 H new ATOM 223 N THR A 14 -2.426 10.113 -0.376 1.00 9.39 N ATOM 224 CA THR A 14 -3.770 9.843 -0.784 1.00 9.63 C ATOM 225 C THR A 14 -3.655 9.330 -2.178 1.00 11.20 C ATOM 226 O THR A 14 -3.066 9.977 -3.041 1.00 11.63 O ATOM 227 CB THR A 14 -4.647 11.055 -0.899 1.00 10.38 C ATOM 228 OG1 THR A 14 -4.672 11.745 0.342 1.00 16.30 O ATOM 229 CG2 THR A 14 -6.126 10.676 -1.084 1.00 11.66 C ATOM 0 H THR A 14 -2.090 11.003 -0.744 1.00 9.39 H new ATOM 0 HA THR A 14 -4.211 9.177 -0.042 1.00 9.63 H new ATOM 0 HB THR A 14 -4.249 11.628 -1.736 1.00 10.38 H new ATOM 0 HG1 THR A 14 -5.244 12.537 0.264 1.00 16.30 H new ATOM 0 HG21 THR A 14 -6.727 11.582 -1.163 1.00 11.66 H new ATOM 0 HG22 THR A 14 -6.239 10.085 -1.993 1.00 11.66 H new ATOM 0 HG23 THR A 14 -6.462 10.092 -0.227 1.00 11.66 H new ATOM 237 N LEU A 15 -4.150 8.107 -2.439 1.00 8.29 N ATOM 238 CA LEU A 15 -4.085 7.413 -3.689 1.00 9.03 C ATOM 239 C LEU A 15 -5.474 7.090 -4.119 1.00 8.59 C ATOM 240 O LEU A 15 -6.265 6.659 -3.281 1.00 7.79 O ATOM 241 CB LEU A 15 -3.264 6.113 -3.668 1.00 11.08 C ATOM 242 CG LEU A 15 -1.764 6.417 -3.812 1.00 15.79 C ATOM 243 CD1 LEU A 15 -1.050 5.072 -3.596 1.00 15.27 C ATOM 244 CD2 LEU A 15 -1.414 7.011 -5.187 1.00 15.88 C ATOM 0 H LEU A 15 -4.631 7.563 -1.723 1.00 8.29 H new ATOM 0 HA LEU A 15 -3.572 8.081 -4.381 1.00 9.03 H new ATOM 0 HB2 LEU A 15 -3.444 5.578 -2.736 1.00 11.08 H new ATOM 0 HB3 LEU A 15 -3.587 5.459 -4.478 1.00 11.08 H new ATOM 0 HG LEU A 15 -1.452 7.170 -3.088 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.027 5.213 -3.685 1.00 15.27 H new ATOM 0 HD12 LEU A 15 -1.285 4.691 -2.602 1.00 15.27 H new ATOM 0 HD13 LEU A 15 -1.385 4.357 -4.348 1.00 15.27 H new ATOM 0 HD21 LEU A 15 -0.343 7.207 -5.237 1.00 15.88 H new ATOM 0 HD22 LEU A 15 -1.690 6.304 -5.970 1.00 15.88 H new ATOM 0 HD23 LEU A 15 -1.961 7.943 -5.331 1.00 15.88 H new ATOM 256 N GLU A 16 -5.840 7.175 -5.410 1.00 11.04 N ATOM 257 CA GLU A 16 -7.132 6.753 -5.854 1.00 11.50 C ATOM 258 C GLU A 16 -6.983 5.400 -6.461 1.00 10.13 C ATOM 259 O GLU A 16 -6.188 5.043 -7.329 1.00 9.83 O ATOM 260 CB GLU A 16 -7.919 7.666 -6.809 1.00 17.22 C ATOM 261 CG GLU A 16 -9.402 7.312 -6.935 1.00 23.33 C ATOM 262 CD GLU A 16 -10.198 8.290 -7.788 1.00 26.99 C ATOM 263 OE1 GLU A 16 -9.788 9.464 -7.990 1.00 28.90 O ATOM 264 OE2 GLU A 16 -11.265 7.876 -8.315 1.00 28.86 O ATOM 0 H GLU A 16 -5.238 7.538 -6.149 1.00 11.04 H new ATOM 0 HA GLU A 16 -7.748 6.777 -4.955 1.00 11.50 H new ATOM 0 HB2 GLU A 16 -7.831 8.696 -6.464 1.00 17.22 H new ATOM 0 HB3 GLU A 16 -7.461 7.621 -7.797 1.00 17.22 H new ATOM 0 HG2 GLU A 16 -9.492 6.314 -7.364 1.00 23.33 H new ATOM 0 HG3 GLU A 16 -9.842 7.272 -5.939 1.00 23.33 H new ATOM 271 N VAL A 17 -7.895 4.501 -6.052 1.00 8.99 N ATOM 272 CA VAL A 17 -7.942 3.113 -6.393 1.00 8.85 C ATOM 273 C VAL A 17 -9.349 2.723 -6.694 1.00 8.04 C ATOM 274 O VAL A 17 -10.284 3.463 -6.392 1.00 8.99 O ATOM 275 CB VAL A 17 -7.374 2.273 -5.287 1.00 9.78 C ATOM 276 CG1 VAL A 17 -5.850 2.481 -5.272 1.00 12.05 C ATOM 277 CG2 VAL A 17 -8.009 2.507 -3.906 1.00 10.54 C ATOM 0 H VAL A 17 -8.661 4.768 -5.433 1.00 8.99 H new ATOM 0 HA VAL A 17 -7.332 2.942 -7.280 1.00 8.85 H new ATOM 0 HB VAL A 17 -7.619 1.232 -5.497 1.00 9.78 H new ATOM 0 HG11 VAL A 17 -5.409 1.881 -4.476 1.00 12.05 H new ATOM 0 HG12 VAL A 17 -5.432 2.176 -6.231 1.00 12.05 H new ATOM 0 HG13 VAL A 17 -5.628 3.534 -5.098 1.00 12.05 H new ATOM 0 HG21 VAL A 17 -7.534 1.856 -3.172 1.00 10.54 H new ATOM 0 HG22 VAL A 17 -7.869 3.547 -3.613 1.00 10.54 H new ATOM 0 HG23 VAL A 17 -9.075 2.284 -3.953 1.00 10.54 H new ATOM 287 N GLU A 18 -9.533 1.469 -7.143 1.00 7.29 N ATOM 288 CA GLU A 18 -10.729 0.714 -6.934 1.00 7.08 C ATOM 289 C GLU A 18 -10.386 -0.554 -6.229 1.00 6.45 C ATOM 290 O GLU A 18 -9.223 -0.951 -6.180 1.00 5.28 O ATOM 291 CB GLU A 18 -11.298 0.536 -8.352 1.00 10.28 C ATOM 292 CG GLU A 18 -12.162 1.719 -8.794 1.00 12.65 C ATOM 293 CD GLU A 18 -13.125 1.357 -9.916 1.00 14.15 C ATOM 294 OE1 GLU A 18 -13.979 0.467 -9.656 1.00 14.33 O ATOM 295 OE2 GLU A 18 -13.052 1.896 -11.052 1.00 18.17 O ATOM 0 H GLU A 18 -8.823 0.962 -7.671 1.00 7.29 H new ATOM 0 HA GLU A 18 -11.477 1.184 -6.295 1.00 7.08 H new ATOM 0 HB2 GLU A 18 -10.475 0.409 -9.056 1.00 10.28 H new ATOM 0 HB3 GLU A 18 -11.893 -0.377 -8.389 1.00 10.28 H new ATOM 0 HG2 GLU A 18 -12.729 2.089 -7.940 1.00 12.65 H new ATOM 0 HG3 GLU A 18 -11.516 2.532 -9.124 1.00 12.65 H new ATOM 302 N PRO A 19 -11.269 -1.209 -5.536 1.00 7.24 N ATOM 303 CA PRO A 19 -10.943 -2.324 -4.696 1.00 7.07 C ATOM 304 C PRO A 19 -10.373 -3.485 -5.436 1.00 6.65 C ATOM 305 O PRO A 19 -9.771 -4.329 -4.775 1.00 6.37 O ATOM 306 CB PRO A 19 -12.261 -2.756 -4.057 1.00 7.61 C ATOM 307 CG PRO A 19 -13.276 -1.691 -4.502 1.00 8.16 C ATOM 308 CD PRO A 19 -12.696 -1.050 -5.773 1.00 7.49 C ATOM 0 HA PRO A 19 -10.180 -2.018 -3.980 1.00 7.07 H new ATOM 0 HB2 PRO A 19 -12.557 -3.750 -4.392 1.00 7.61 H new ATOM 0 HB3 PRO A 19 -12.180 -2.797 -2.971 1.00 7.61 H new ATOM 0 HG2 PRO A 19 -14.249 -2.140 -4.702 1.00 8.16 H new ATOM 0 HG3 PRO A 19 -13.424 -0.944 -3.722 1.00 8.16 H new ATOM 0 HD2 PRO A 19 -13.023 -1.560 -6.679 1.00 7.49 H new ATOM 0 HD3 PRO A 19 -12.983 -0.004 -5.875 1.00 7.49 H new ATOM 316 N SER A 20 -10.648 -3.669 -6.740 1.00 6.80 N ATOM 317 CA SER A 20 -10.273 -4.855 -7.446 1.00 6.28 C ATOM 318 C SER A 20 -8.888 -4.780 -7.990 1.00 8.45 C ATOM 319 O SER A 20 -8.446 -5.579 -8.815 1.00 7.26 O ATOM 320 CB SER A 20 -11.211 -5.195 -8.616 1.00 8.57 C ATOM 321 OG SER A 20 -12.518 -5.615 -8.252 1.00 11.13 O ATOM 0 H SER A 20 -11.139 -2.983 -7.314 1.00 6.80 H new ATOM 0 HA SER A 20 -10.341 -5.640 -6.692 1.00 6.28 H new ATOM 0 HB2 SER A 20 -11.296 -4.318 -9.257 1.00 8.57 H new ATOM 0 HB3 SER A 20 -10.749 -5.982 -9.212 1.00 8.57 H new ATOM 0 HG SER A 20 -13.037 -5.806 -9.061 1.00 11.13 H new ATOM 327 N ASP A 21 -8.137 -3.723 -7.632 1.00 7.50 N ATOM 328 CA ASP A 21 -6.853 -3.383 -8.162 1.00 7.70 C ATOM 329 C ASP A 21 -5.866 -4.132 -7.334 1.00 7.08 C ATOM 330 O ASP A 21 -6.093 -4.400 -6.155 1.00 8.11 O ATOM 331 CB ASP A 21 -6.483 -1.891 -8.132 1.00 11.00 C ATOM 332 CG ASP A 21 -7.269 -1.041 -9.120 1.00 15.32 C ATOM 333 OD1 ASP A 21 -7.535 -1.493 -10.266 1.00 14.36 O ATOM 334 OD2 ASP A 21 -7.623 0.106 -8.739 1.00 18.03 O ATOM 0 H ASP A 21 -8.450 -3.060 -6.923 1.00 7.50 H new ATOM 0 HA ASP A 21 -6.859 -3.641 -9.221 1.00 7.70 H new ATOM 0 HB2 ASP A 21 -6.647 -1.506 -7.126 1.00 11.00 H new ATOM 0 HB3 ASP A 21 -5.419 -1.786 -8.344 1.00 11.00 H new ATOM 339 N THR A 22 -4.727 -4.569 -7.901 1.00 5.37 N ATOM 340 CA THR A 22 -3.764 -5.335 -7.173 1.00 6.01 C ATOM 341 C THR A 22 -2.848 -4.485 -6.362 1.00 8.01 C ATOM 342 O THR A 22 -2.690 -3.325 -6.740 1.00 8.11 O ATOM 343 CB THR A 22 -2.914 -6.279 -7.971 1.00 8.92 C ATOM 344 OG1 THR A 22 -2.300 -5.607 -9.061 1.00 10.22 O ATOM 345 CG2 THR A 22 -3.875 -7.339 -8.535 1.00 9.65 C ATOM 0 H THR A 22 -4.472 -4.390 -8.872 1.00 5.37 H new ATOM 0 HA THR A 22 -4.411 -5.943 -6.540 1.00 6.01 H new ATOM 0 HB THR A 22 -2.129 -6.707 -7.348 1.00 8.92 H new ATOM 0 HG1 THR A 22 -1.749 -6.240 -9.567 1.00 10.22 H new ATOM 0 HG21 THR A 22 -3.313 -8.060 -9.129 1.00 9.65 H new ATOM 0 HG22 THR A 22 -4.371 -7.855 -7.713 1.00 9.65 H new ATOM 0 HG23 THR A 22 -4.623 -6.855 -9.163 1.00 9.65 H new ATOM 353 N ILE A 23 -2.341 -5.047 -5.250 1.00 8.32 N ATOM 354 CA ILE A 23 -1.402 -4.542 -4.297 1.00 9.92 C ATOM 355 C ILE A 23 -0.191 -4.055 -5.015 1.00 10.01 C ATOM 356 O ILE A 23 0.280 -2.992 -4.611 1.00 8.71 O ATOM 357 CB ILE A 23 -1.143 -5.481 -3.156 1.00 10.78 C ATOM 358 CG1 ILE A 23 -2.419 -5.986 -2.463 1.00 11.38 C ATOM 359 CG2 ILE A 23 -0.130 -4.975 -2.115 1.00 10.90 C ATOM 360 CD1 ILE A 23 -3.188 -4.879 -1.742 1.00 12.30 C ATOM 0 H ILE A 23 -2.635 -5.988 -4.988 1.00 8.32 H new ATOM 0 HA ILE A 23 -1.836 -3.682 -3.786 1.00 9.92 H new ATOM 0 HB ILE A 23 -0.676 -6.331 -3.654 1.00 10.78 H new ATOM 0 HG12 ILE A 23 -3.070 -6.448 -3.205 1.00 11.38 H new ATOM 0 HG13 ILE A 23 -2.153 -6.762 -1.745 1.00 11.38 H new ATOM 0 HG21 ILE A 23 -0.010 -5.722 -1.331 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.831 -4.799 -2.598 1.00 10.90 H new ATOM 0 HG23 ILE A 23 -0.492 -4.045 -1.677 1.00 10.90 H new ATOM 0 HD11 ILE A 23 -4.078 -5.300 -1.274 1.00 12.30 H new ATOM 0 HD12 ILE A 23 -2.552 -4.433 -0.978 1.00 12.30 H new ATOM 0 HD13 ILE A 23 -3.483 -4.114 -2.460 1.00 12.30 H new ATOM 372 N GLU A 24 0.303 -4.809 -6.013 1.00 9.54 N ATOM 373 CA GLU A 24 1.432 -4.476 -6.824 1.00 11.81 C ATOM 374 C GLU A 24 1.289 -3.205 -7.588 1.00 11.14 C ATOM 375 O GLU A 24 2.184 -2.368 -7.694 1.00 10.62 O ATOM 376 CB GLU A 24 1.728 -5.573 -7.861 1.00 19.24 C ATOM 377 CG GLU A 24 2.874 -5.178 -8.796 1.00 27.76 C ATOM 378 CD GLU A 24 3.100 -6.270 -9.832 1.00 32.92 C ATOM 379 OE1 GLU A 24 3.834 -7.262 -9.582 1.00 36.51 O ATOM 380 OE2 GLU A 24 2.636 -6.097 -10.991 1.00 34.80 O ATOM 0 H GLU A 24 -0.112 -5.705 -6.268 1.00 9.54 H new ATOM 0 HA GLU A 24 2.241 -4.368 -6.101 1.00 11.81 H new ATOM 0 HB2 GLU A 24 1.982 -6.500 -7.347 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.831 -5.769 -8.448 1.00 19.24 H new ATOM 0 HG2 GLU A 24 2.641 -4.236 -9.293 1.00 27.76 H new ATOM 0 HG3 GLU A 24 3.785 -5.017 -8.220 1.00 27.76 H new ATOM 387 N ASN A 25 0.077 -2.921 -8.096 1.00 9.43 N ATOM 388 CA ASN A 25 -0.221 -1.708 -8.792 1.00 10.96 C ATOM 389 C ASN A 25 -0.312 -0.498 -7.928 1.00 9.68 C ATOM 390 O ASN A 25 0.031 0.598 -8.369 1.00 9.33 O ATOM 391 CB ASN A 25 -1.401 -1.808 -9.774 1.00 16.78 C ATOM 392 CG ASN A 25 -1.087 -2.686 -10.977 1.00 22.31 C ATOM 393 OD1 ASN A 25 -0.183 -2.256 -11.692 1.00 25.66 O ATOM 394 ND2 ASN A 25 -1.715 -3.882 -11.136 1.00 24.70 N ATOM 0 H ASN A 25 -0.719 -3.554 -8.020 1.00 9.43 H new ATOM 0 HA ASN A 25 0.668 -1.563 -9.406 1.00 10.96 H new ATOM 0 HB2 ASN A 25 -2.270 -2.209 -9.253 1.00 16.78 H new ATOM 0 HB3 ASN A 25 -1.669 -0.809 -10.118 1.00 16.78 H new ATOM 0 HD21 ASN A 25 -1.444 -4.503 -11.898 1.00 24.70 H new ATOM 0 HD22 ASN A 25 -2.457 -4.158 -10.493 1.00 24.70 H new ATOM 401 N VAL A 26 -0.784 -0.678 -6.681 1.00 6.52 N ATOM 402 CA VAL A 26 -0.731 0.251 -5.596 1.00 5.53 C ATOM 403 C VAL A 26 0.681 0.548 -5.223 1.00 4.42 C ATOM 404 O VAL A 26 1.073 1.700 -5.043 1.00 3.40 O ATOM 405 CB VAL A 26 -1.400 -0.304 -4.374 1.00 3.86 C ATOM 406 CG1 VAL A 26 -1.427 0.762 -3.265 1.00 7.25 C ATOM 407 CG2 VAL A 26 -2.876 -0.597 -4.692 1.00 8.12 C ATOM 0 H VAL A 26 -1.241 -1.549 -6.411 1.00 6.52 H new ATOM 0 HA VAL A 26 -1.241 1.153 -5.933 1.00 5.53 H new ATOM 0 HB VAL A 26 -0.856 -1.197 -4.066 1.00 3.86 H new ATOM 0 HG11 VAL A 26 -1.914 0.354 -2.380 1.00 7.25 H new ATOM 0 HG12 VAL A 26 -0.407 1.054 -3.016 1.00 7.25 H new ATOM 0 HG13 VAL A 26 -1.979 1.635 -3.613 1.00 7.25 H new ATOM 0 HG21 VAL A 26 -3.366 -1.001 -3.806 1.00 8.12 H new ATOM 0 HG22 VAL A 26 -3.373 0.325 -4.993 1.00 8.12 H new ATOM 0 HG23 VAL A 26 -2.936 -1.323 -5.503 1.00 8.12 H new ATOM 417 N LYS A 27 1.596 -0.436 -5.291 1.00 2.64 N ATOM 418 CA LYS A 27 2.993 -0.157 -5.171 1.00 4.14 C ATOM 419 C LYS A 27 3.613 0.559 -6.322 1.00 5.58 C ATOM 420 O LYS A 27 4.560 1.314 -6.107 1.00 4.11 O ATOM 421 CB LYS A 27 3.858 -1.389 -4.856 1.00 3.97 C ATOM 422 CG LYS A 27 3.435 -2.142 -3.593 1.00 7.45 C ATOM 423 CD LYS A 27 3.998 -3.556 -3.439 1.00 9.02 C ATOM 424 CE LYS A 27 5.484 -3.815 -3.697 1.00 12.90 C ATOM 425 NZ LYS A 27 5.884 -5.160 -3.228 1.00 15.47 N ATOM 0 H LYS A 27 1.369 -1.421 -5.429 1.00 2.64 H new ATOM 0 HA LYS A 27 2.991 0.520 -4.317 1.00 4.14 H new ATOM 0 HB2 LYS A 27 3.820 -2.073 -5.704 1.00 3.97 H new ATOM 0 HB3 LYS A 27 4.896 -1.073 -4.748 1.00 3.97 H new ATOM 0 HG2 LYS A 27 3.736 -1.555 -2.725 1.00 7.45 H new ATOM 0 HG3 LYS A 27 2.347 -2.201 -3.576 1.00 7.45 H new ATOM 0 HD2 LYS A 27 3.783 -3.883 -2.422 1.00 9.02 H new ATOM 0 HD3 LYS A 27 3.434 -4.205 -4.108 1.00 9.02 H new ATOM 0 HE2 LYS A 27 5.692 -3.722 -4.763 1.00 12.90 H new ATOM 0 HE3 LYS A 27 6.081 -3.058 -3.189 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 6.887 -5.147 -2.952 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 5.303 -5.429 -2.409 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 5.744 -5.850 -3.993 1.00 15.47 H new ATOM 439 N ALA A 28 3.108 0.454 -7.564 1.00 6.61 N ATOM 440 CA ALA A 28 3.554 1.342 -8.593 1.00 7.74 C ATOM 441 C ALA A 28 3.027 2.714 -8.346 1.00 9.17 C ATOM 442 O ALA A 28 3.680 3.741 -8.519 1.00 11.45 O ATOM 443 CB ALA A 28 2.933 0.899 -9.928 1.00 7.68 C ATOM 0 H ALA A 28 2.407 -0.229 -7.852 1.00 6.61 H new ATOM 0 HA ALA A 28 4.644 1.330 -8.610 1.00 7.74 H new ATOM 0 HB1 ALA A 28 3.264 1.567 -10.723 1.00 7.68 H new ATOM 0 HB2 ALA A 28 3.248 -0.119 -10.156 1.00 7.68 H new ATOM 0 HB3 ALA A 28 1.846 0.935 -9.853 1.00 7.68 H new ATOM 449 N LYS A 29 1.788 2.887 -7.852 1.00 8.96 N ATOM 450 CA LYS A 29 1.179 4.145 -7.552 1.00 7.90 C ATOM 451 C LYS A 29 1.841 4.930 -6.472 1.00 6.92 C ATOM 452 O LYS A 29 1.892 6.158 -6.508 1.00 6.87 O ATOM 453 CB LYS A 29 -0.292 3.917 -7.166 1.00 10.28 C ATOM 454 CG LYS A 29 -1.036 3.676 -8.481 1.00 14.94 C ATOM 455 CD LYS A 29 -2.533 3.486 -8.228 1.00 19.69 C ATOM 456 CE LYS A 29 -3.369 3.988 -9.406 1.00 22.63 C ATOM 457 NZ LYS A 29 -4.820 3.720 -9.283 1.00 24.98 N ATOM 0 H LYS A 29 1.174 2.098 -7.650 1.00 8.96 H new ATOM 0 HA LYS A 29 1.281 4.740 -8.460 1.00 7.90 H new ATOM 0 HB2 LYS A 29 -0.393 3.062 -6.497 1.00 10.28 H new ATOM 0 HB3 LYS A 29 -0.697 4.782 -6.641 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.880 4.520 -9.153 1.00 14.94 H new ATOM 0 HG3 LYS A 29 -0.631 2.794 -8.977 1.00 14.94 H new ATOM 0 HD2 LYS A 29 -2.743 2.430 -8.055 1.00 19.69 H new ATOM 0 HD3 LYS A 29 -2.821 4.020 -7.323 1.00 19.69 H new ATOM 0 HE2 LYS A 29 -3.218 5.062 -9.512 1.00 22.63 H new ATOM 0 HE3 LYS A 29 -3.002 3.523 -10.321 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 -5.329 4.206 -10.049 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 -4.991 2.696 -9.349 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 -5.161 4.069 -8.364 1.00 24.98 H new ATOM 471 N ILE A 30 2.431 4.286 -5.450 1.00 4.57 N ATOM 472 CA ILE A 30 3.224 4.910 -4.436 1.00 5.58 C ATOM 473 C ILE A 30 4.501 5.374 -5.047 1.00 7.26 C ATOM 474 O ILE A 30 5.049 6.430 -4.735 1.00 9.46 O ATOM 475 CB ILE A 30 3.333 4.075 -3.195 1.00 5.36 C ATOM 476 CG1 ILE A 30 1.924 3.712 -2.697 1.00 2.94 C ATOM 477 CG2 ILE A 30 4.209 4.796 -2.157 1.00 2.78 C ATOM 478 CD1 ILE A 30 1.698 2.524 -1.763 1.00 2.00 C ATOM 0 H ILE A 30 2.351 3.277 -5.324 1.00 4.57 H new ATOM 0 HA ILE A 30 2.731 5.804 -4.054 1.00 5.58 H new ATOM 0 HB ILE A 30 3.835 3.129 -3.400 1.00 5.36 H new ATOM 0 HG12 ILE A 30 1.527 4.593 -2.193 1.00 2.94 H new ATOM 0 HG13 ILE A 30 1.307 3.545 -3.580 1.00 2.94 H new ATOM 0 HG21 ILE A 30 4.285 4.185 -1.258 1.00 2.78 H new ATOM 0 HG22 ILE A 30 5.204 4.958 -2.571 1.00 2.78 H new ATOM 0 HG23 ILE A 30 3.760 5.757 -1.906 1.00 2.78 H new ATOM 0 HD11 ILE A 30 0.636 2.440 -1.531 1.00 2.00 H new ATOM 0 HD12 ILE A 30 2.036 1.609 -2.249 1.00 2.00 H new ATOM 0 HD13 ILE A 30 2.260 2.674 -0.841 1.00 2.00 H new ATOM 490 N GLN A 31 5.046 4.682 -6.064 1.00 7.06 N ATOM 491 CA GLN A 31 6.193 5.164 -6.769 1.00 8.67 C ATOM 492 C GLN A 31 5.805 6.352 -7.582 1.00 10.90 C ATOM 493 O GLN A 31 6.487 7.372 -7.665 1.00 9.63 O ATOM 494 CB GLN A 31 6.786 3.966 -7.528 1.00 9.12 C ATOM 495 CG GLN A 31 7.952 4.248 -8.477 1.00 10.76 C ATOM 496 CD GLN A 31 8.442 3.117 -9.371 1.00 13.78 C ATOM 497 OE1 GLN A 31 9.611 2.756 -9.240 1.00 14.48 O ATOM 498 NE2 GLN A 31 7.627 2.459 -10.237 1.00 14.76 N ATOM 0 H GLN A 31 4.691 3.786 -6.399 1.00 7.06 H new ATOM 0 HA GLN A 31 6.989 5.540 -6.126 1.00 8.67 H new ATOM 0 HB2 GLN A 31 7.118 3.232 -6.794 1.00 9.12 H new ATOM 0 HB3 GLN A 31 5.986 3.502 -8.104 1.00 9.12 H new ATOM 0 HG2 GLN A 31 7.664 5.080 -9.120 1.00 10.76 H new ATOM 0 HG3 GLN A 31 8.796 4.587 -7.876 1.00 10.76 H new ATOM 0 HE21 GLN A 31 6.657 2.754 -10.349 1.00 14.76 H new ATOM 0 HE22 GLN A 31 7.985 1.670 -10.775 1.00 14.76 H new ATOM 507 N ASP A 32 4.652 6.196 -8.257 1.00 10.93 N ATOM 508 CA ASP A 32 4.173 7.278 -9.059 1.00 14.01 C ATOM 509 C ASP A 32 3.869 8.548 -8.342 1.00 14.04 C ATOM 510 O ASP A 32 4.226 9.665 -8.713 1.00 13.39 O ATOM 511 CB ASP A 32 2.864 6.753 -9.673 1.00 18.01 C ATOM 512 CG ASP A 32 2.460 7.478 -10.949 1.00 24.33 C ATOM 513 OD1 ASP A 32 3.147 8.357 -11.533 1.00 26.29 O ATOM 514 OD2 ASP A 32 1.459 6.983 -11.533 1.00 25.17 O ATOM 0 H ASP A 32 4.072 5.357 -8.251 1.00 10.93 H new ATOM 0 HA ASP A 32 4.961 7.547 -9.763 1.00 14.01 H new ATOM 0 HB2 ASP A 32 2.973 5.690 -9.887 1.00 18.01 H new ATOM 0 HB3 ASP A 32 2.063 6.850 -8.940 1.00 18.01 H new ATOM 519 N LYS A 33 3.162 8.487 -7.199 1.00 14.22 N ATOM 520 CA LYS A 33 2.658 9.567 -6.410 1.00 14.00 C ATOM 521 C LYS A 33 3.633 10.254 -5.517 1.00 12.37 C ATOM 522 O LYS A 33 3.893 11.440 -5.715 1.00 12.17 O ATOM 523 CB LYS A 33 1.367 9.198 -5.661 1.00 18.62 C ATOM 524 CG LYS A 33 0.719 10.455 -5.076 1.00 24.00 C ATOM 525 CD LYS A 33 -0.521 10.998 -5.790 1.00 27.61 C ATOM 526 CE LYS A 33 -1.083 12.302 -5.222 1.00 27.64 C ATOM 527 NZ LYS A 33 -2.303 12.745 -5.933 1.00 30.06 N ATOM 0 H LYS A 33 2.920 7.585 -6.788 1.00 14.22 H new ATOM 0 HA LYS A 33 2.422 10.320 -7.163 1.00 14.00 H new ATOM 0 HB2 LYS A 33 0.672 8.704 -6.340 1.00 18.62 H new ATOM 0 HB3 LYS A 33 1.590 8.490 -4.863 1.00 18.62 H new ATOM 0 HG2 LYS A 33 0.449 10.246 -4.041 1.00 24.00 H new ATOM 0 HG3 LYS A 33 1.470 11.244 -5.056 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -0.276 11.154 -6.841 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -1.302 10.239 -5.754 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.310 12.167 -4.165 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.324 13.081 -5.288 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -2.647 13.632 -5.513 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.082 12.900 -6.937 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -3.038 12.014 -5.849 1.00 30.06 H new ATOM 541 N GLU A 34 4.194 9.463 -4.585 1.00 10.11 N ATOM 542 CA GLU A 34 5.192 9.978 -3.699 1.00 10.07 C ATOM 543 C GLU A 34 6.553 9.886 -4.299 1.00 9.32 C ATOM 544 O GLU A 34 7.259 10.891 -4.235 1.00 11.61 O ATOM 545 CB GLU A 34 5.048 9.304 -2.324 1.00 14.77 C ATOM 546 CG GLU A 34 5.915 9.844 -1.185 1.00 18.75 C ATOM 547 CD GLU A 34 5.680 11.313 -0.864 1.00 22.28 C ATOM 548 OE1 GLU A 34 4.769 11.989 -1.412 1.00 21.95 O ATOM 549 OE2 GLU A 34 6.476 11.920 -0.099 1.00 25.19 O ATOM 0 H GLU A 34 3.961 8.480 -4.445 1.00 10.11 H new ATOM 0 HA GLU A 34 5.041 11.046 -3.540 1.00 10.07 H new ATOM 0 HB2 GLU A 34 4.004 9.379 -2.019 1.00 14.77 H new ATOM 0 HB3 GLU A 34 5.269 8.243 -2.443 1.00 14.77 H new ATOM 0 HG2 GLU A 34 5.727 9.253 -0.289 1.00 18.75 H new ATOM 0 HG3 GLU A 34 6.964 9.704 -1.444 1.00 18.75 H new ATOM 556 N GLY A 35 6.979 8.693 -4.751 1.00 7.22 N ATOM 557 CA GLY A 35 8.328 8.520 -5.193 1.00 6.29 C ATOM 558 C GLY A 35 9.163 7.692 -4.278 1.00 6.93 C ATOM 559 O GLY A 35 10.376 7.893 -4.326 1.00 7.41 O ATOM 0 H GLY A 35 6.397 7.857 -4.810 1.00 7.22 H new ATOM 0 HA2 GLY A 35 8.320 8.057 -6.180 1.00 6.29 H new ATOM 0 HA3 GLY A 35 8.792 9.500 -5.305 1.00 6.29 H new ATOM 563 N ILE A 36 8.602 6.678 -3.596 1.00 5.86 N ATOM 564 CA ILE A 36 9.210 5.600 -2.879 1.00 6.07 C ATOM 565 C ILE A 36 9.182 4.468 -3.847 1.00 6.36 C ATOM 566 O ILE A 36 8.092 4.234 -4.367 1.00 6.18 O ATOM 567 CB ILE A 36 8.490 5.238 -1.614 1.00 7.47 C ATOM 568 CG1 ILE A 36 8.394 6.476 -0.706 1.00 8.52 C ATOM 569 CG2 ILE A 36 9.169 4.035 -0.938 1.00 7.36 C ATOM 570 CD1 ILE A 36 7.403 6.301 0.444 1.00 9.49 C ATOM 0 H ILE A 36 7.586 6.610 -3.543 1.00 5.86 H new ATOM 0 HA ILE A 36 10.212 5.869 -2.545 1.00 6.07 H new ATOM 0 HB ILE A 36 7.470 4.925 -1.835 1.00 7.47 H new ATOM 0 HG12 ILE A 36 9.380 6.697 -0.297 1.00 8.52 H new ATOM 0 HG13 ILE A 36 8.097 7.337 -1.305 1.00 8.52 H new ATOM 0 HG21 ILE A 36 8.635 3.784 -0.021 1.00 7.36 H new ATOM 0 HG22 ILE A 36 9.151 3.180 -1.614 1.00 7.36 H new ATOM 0 HG23 ILE A 36 10.202 4.287 -0.699 1.00 7.36 H new ATOM 0 HD11 ILE A 36 7.382 7.209 1.047 1.00 9.49 H new ATOM 0 HD12 ILE A 36 6.408 6.110 0.041 1.00 9.49 H new ATOM 0 HD13 ILE A 36 7.711 5.460 1.065 1.00 9.49 H new ATOM 582 N PRO A 37 10.253 3.790 -4.135 1.00 8.65 N ATOM 583 CA PRO A 37 10.184 2.744 -5.114 1.00 9.18 C ATOM 584 C PRO A 37 9.581 1.467 -4.639 1.00 9.85 C ATOM 585 O PRO A 37 9.628 1.341 -3.416 1.00 8.51 O ATOM 586 CB PRO A 37 11.645 2.389 -5.381 1.00 11.42 C ATOM 587 CG PRO A 37 12.480 2.982 -4.235 1.00 9.27 C ATOM 588 CD PRO A 37 11.626 4.217 -3.910 1.00 8.33 C ATOM 0 HA PRO A 37 9.580 3.107 -5.946 1.00 9.18 H new ATOM 0 HB2 PRO A 37 11.774 1.308 -5.430 1.00 11.42 H new ATOM 0 HB3 PRO A 37 11.969 2.793 -6.340 1.00 11.42 H new ATOM 0 HG2 PRO A 37 12.572 2.302 -3.388 1.00 9.27 H new ATOM 0 HG3 PRO A 37 13.492 3.243 -4.546 1.00 9.27 H new ATOM 0 HD2 PRO A 37 11.776 4.541 -2.880 1.00 8.33 H new ATOM 0 HD3 PRO A 37 11.888 5.059 -4.551 1.00 8.33 H new ATOM 596 N PRO A 38 9.091 0.474 -5.321 1.00 8.71 N ATOM 597 CA PRO A 38 8.393 -0.624 -4.718 1.00 9.08 C ATOM 598 C PRO A 38 9.193 -1.526 -3.843 1.00 9.28 C ATOM 599 O PRO A 38 8.486 -2.155 -3.056 1.00 6.50 O ATOM 600 CB PRO A 38 7.753 -1.397 -5.869 1.00 10.31 C ATOM 601 CG PRO A 38 7.614 -0.329 -6.965 1.00 10.81 C ATOM 602 CD PRO A 38 8.802 0.620 -6.739 1.00 12.00 C ATOM 0 HA PRO A 38 7.669 -0.210 -4.016 1.00 9.08 H new ATOM 0 HB2 PRO A 38 8.378 -2.229 -6.193 1.00 10.31 H new ATOM 0 HB3 PRO A 38 6.786 -1.815 -5.587 1.00 10.31 H new ATOM 0 HG2 PRO A 38 7.647 -0.775 -7.959 1.00 10.81 H new ATOM 0 HG3 PRO A 38 6.664 0.200 -6.884 1.00 10.81 H new ATOM 0 HD2 PRO A 38 9.659 0.343 -7.353 1.00 12.00 H new ATOM 0 HD3 PRO A 38 8.547 1.649 -6.992 1.00 12.00 H new ATOM 610 N ASP A 39 10.523 -1.647 -3.995 1.00 11.20 N ATOM 611 CA ASP A 39 11.349 -2.572 -3.282 1.00 14.96 C ATOM 612 C ASP A 39 11.350 -2.351 -1.808 1.00 13.99 C ATOM 613 O ASP A 39 11.396 -3.281 -1.004 1.00 13.75 O ATOM 614 CB ASP A 39 12.810 -2.513 -3.760 1.00 24.16 C ATOM 615 CG ASP A 39 13.060 -3.224 -5.082 1.00 31.06 C ATOM 616 OD1 ASP A 39 12.735 -2.695 -6.178 1.00 34.22 O ATOM 617 OD2 ASP A 39 13.540 -4.386 -5.000 1.00 35.55 O ATOM 0 H ASP A 39 11.050 -1.069 -4.650 1.00 11.20 H new ATOM 0 HA ASP A 39 10.912 -3.548 -3.493 1.00 14.96 H new ATOM 0 HB2 ASP A 39 13.107 -1.469 -3.859 1.00 24.16 H new ATOM 0 HB3 ASP A 39 13.449 -2.955 -2.996 1.00 24.16 H new ATOM 622 N GLN A 40 11.203 -1.081 -1.390 1.00 11.60 N ATOM 623 CA GLN A 40 11.184 -0.636 -0.032 1.00 10.76 C ATOM 624 C GLN A 40 9.991 -0.920 0.815 1.00 8.01 C ATOM 625 O GLN A 40 10.025 -0.825 2.041 1.00 8.96 O ATOM 626 CB GLN A 40 11.756 0.777 0.170 1.00 11.14 C ATOM 627 CG GLN A 40 13.167 1.026 -0.368 1.00 14.85 C ATOM 628 CD GLN A 40 13.508 2.451 0.041 1.00 16.11 C ATOM 629 OE1 GLN A 40 13.181 3.417 -0.647 1.00 20.52 O ATOM 630 NE2 GLN A 40 14.078 2.612 1.265 1.00 18.16 N ATOM 0 H GLN A 40 11.089 -0.311 -2.050 1.00 11.60 H new ATOM 0 HA GLN A 40 11.892 -1.347 0.395 1.00 10.76 H new ATOM 0 HB2 GLN A 40 11.080 1.489 -0.303 1.00 11.14 H new ATOM 0 HB3 GLN A 40 11.754 0.996 1.238 1.00 11.14 H new ATOM 0 HG2 GLN A 40 13.879 0.315 0.052 1.00 14.85 H new ATOM 0 HG3 GLN A 40 13.201 0.909 -1.451 1.00 14.85 H new ATOM 0 HE21 GLN A 40 14.340 1.795 1.817 1.00 18.16 H new ATOM 0 HE22 GLN A 40 14.243 3.550 1.631 1.00 18.16 H new ATOM 639 N GLN A 41 8.818 -1.275 0.260 1.00 6.52 N ATOM 640 CA GLN A 41 7.567 -1.065 0.919 1.00 3.87 C ATOM 641 C GLN A 41 6.984 -2.292 1.532 1.00 4.79 C ATOM 642 O GLN A 41 6.571 -3.245 0.872 1.00 6.34 O ATOM 643 CB GLN A 41 6.564 -0.563 -0.133 1.00 4.20 C ATOM 644 CG GLN A 41 7.141 0.407 -1.166 1.00 3.20 C ATOM 645 CD GLN A 41 6.090 1.034 -2.071 1.00 4.89 C ATOM 646 OE1 GLN A 41 4.923 0.644 -2.079 1.00 5.21 O ATOM 647 NE2 GLN A 41 6.500 1.967 -2.970 1.00 7.13 N ATOM 0 H GLN A 41 8.737 -1.713 -0.658 1.00 6.52 H new ATOM 0 HA GLN A 41 7.752 -0.357 1.726 1.00 3.87 H new ATOM 0 HB2 GLN A 41 6.149 -1.424 -0.657 1.00 4.20 H new ATOM 0 HB3 GLN A 41 5.737 -0.073 0.380 1.00 4.20 H new ATOM 0 HG2 GLN A 41 7.679 1.199 -0.646 1.00 3.20 H new ATOM 0 HG3 GLN A 41 7.869 -0.122 -1.781 1.00 3.20 H new ATOM 0 HE21 GLN A 41 7.467 2.291 -2.964 1.00 7.13 H new ATOM 0 HE22 GLN A 41 5.840 2.344 -3.651 1.00 7.13 H new ATOM 656 N ARG A 42 6.954 -2.375 2.874 1.00 5.73 N ATOM 657 CA ARG A 42 6.234 -3.375 3.599 1.00 6.97 C ATOM 658 C ARG A 42 4.923 -2.734 3.901 1.00 7.15 C ATOM 659 O ARG A 42 4.896 -1.904 4.807 1.00 7.33 O ATOM 660 CB ARG A 42 6.851 -3.760 4.955 1.00 13.23 C ATOM 661 CG ARG A 42 8.080 -4.666 4.860 1.00 21.27 C ATOM 662 CD ARG A 42 8.377 -5.231 6.251 1.00 26.14 C ATOM 663 NE ARG A 42 9.619 -6.043 6.115 1.00 32.26 N ATOM 664 CZ ARG A 42 10.573 -6.117 7.088 1.00 34.32 C ATOM 665 NH1 ARG A 42 10.517 -5.536 8.322 1.00 35.30 N ATOM 666 NH2 ARG A 42 11.583 -7.029 6.983 1.00 36.39 N ATOM 0 H ARG A 42 7.451 -1.720 3.478 1.00 5.73 H new ATOM 0 HA ARG A 42 6.208 -4.286 3.001 1.00 6.97 H new ATOM 0 HB2 ARG A 42 7.127 -2.849 5.486 1.00 13.23 H new ATOM 0 HB3 ARG A 42 6.092 -4.261 5.556 1.00 13.23 H new ATOM 0 HG2 ARG A 42 7.900 -5.476 4.153 1.00 21.27 H new ATOM 0 HG3 ARG A 42 8.937 -4.104 4.489 1.00 21.27 H new ATOM 0 HD2 ARG A 42 8.514 -4.428 6.976 1.00 26.14 H new ATOM 0 HD3 ARG A 42 7.549 -5.844 6.607 1.00 26.14 H new ATOM 0 HE ARG A 42 9.763 -6.569 5.253 1.00 32.26 H new ATOM 0 HH11 ARG A 42 9.703 -4.983 8.589 1.00 35.30 H new ATOM 0 HH12 ARG A 42 11.289 -5.655 8.977 1.00 35.30 H new ATOM 0 HH21 ARG A 42 11.624 -7.654 6.178 1.00 36.39 H new ATOM 0 HH22 ARG A 42 12.297 -7.085 7.709 1.00 36.39 H new ATOM 680 N LEU A 43 3.806 -3.051 3.223 1.00 4.65 N ATOM 681 CA LEU A 43 2.512 -2.539 3.554 1.00 3.51 C ATOM 682 C LEU A 43 1.789 -3.502 4.431 1.00 5.56 C ATOM 683 O LEU A 43 1.560 -4.678 4.152 1.00 4.19 O ATOM 684 CB LEU A 43 1.557 -2.287 2.375 1.00 3.74 C ATOM 685 CG LEU A 43 2.015 -1.183 1.408 1.00 6.32 C ATOM 686 CD1 LEU A 43 1.387 -1.458 0.031 1.00 6.41 C ATOM 687 CD2 LEU A 43 1.595 0.231 1.841 1.00 9.55 C ATOM 0 H LEU A 43 3.802 -3.682 2.421 1.00 4.65 H new ATOM 0 HA LEU A 43 2.742 -1.581 4.020 1.00 3.51 H new ATOM 0 HB2 LEU A 43 1.437 -3.215 1.816 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.576 -2.023 2.769 1.00 3.74 H new ATOM 0 HG LEU A 43 3.105 -1.209 1.391 1.00 6.32 H new ATOM 0 HD11 LEU A 43 1.699 -0.686 -0.672 1.00 6.41 H new ATOM 0 HD12 LEU A 43 1.716 -2.432 -0.331 1.00 6.41 H new ATOM 0 HD13 LEU A 43 0.301 -1.451 0.119 1.00 6.41 H new ATOM 0 HD21 LEU A 43 1.953 0.957 1.111 1.00 9.55 H new ATOM 0 HD22 LEU A 43 0.508 0.285 1.903 1.00 9.55 H new ATOM 0 HD23 LEU A 43 2.026 0.456 2.817 1.00 9.55 H new ATOM 699 N ILE A 44 1.513 -2.941 5.622 1.00 4.58 N ATOM 700 CA ILE A 44 0.838 -3.601 6.696 1.00 5.55 C ATOM 701 C ILE A 44 -0.473 -2.921 6.889 1.00 5.46 C ATOM 702 O ILE A 44 -0.572 -1.695 6.899 1.00 6.04 O ATOM 703 CB ILE A 44 1.602 -3.574 7.987 1.00 6.80 C ATOM 704 CG1 ILE A 44 2.978 -4.246 7.847 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.825 -4.229 9.142 1.00 7.39 C ATOM 706 CD1 ILE A 44 3.869 -4.371 9.082 1.00 13.90 C ATOM 0 H ILE A 44 1.773 -1.981 5.846 1.00 4.58 H new ATOM 0 HA ILE A 44 0.725 -4.651 6.428 1.00 5.55 H new ATOM 0 HB ILE A 44 1.745 -2.520 8.227 1.00 6.80 H new ATOM 0 HG12 ILE A 44 2.816 -5.250 7.455 1.00 10.31 H new ATOM 0 HG13 ILE A 44 3.538 -3.695 7.091 1.00 10.31 H new ATOM 0 HG21 ILE A 44 1.421 -4.184 10.053 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.114 -3.698 9.296 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.617 -5.270 8.896 1.00 7.39 H new ATOM 0 HD11 ILE A 44 4.800 -4.867 8.810 1.00 13.90 H new ATOM 0 HD12 ILE A 44 4.088 -3.378 9.475 1.00 13.90 H new ATOM 0 HD13 ILE A 44 3.355 -4.957 9.844 1.00 13.90 H new ATOM 718 N PHE A 45 -1.531 -3.729 7.082 1.00 6.75 N ATOM 719 CA PHE A 45 -2.818 -3.219 7.439 1.00 4.70 C ATOM 720 C PHE A 45 -3.056 -3.900 8.743 1.00 6.34 C ATOM 721 O PHE A 45 -3.275 -5.110 8.759 1.00 5.45 O ATOM 722 CB PHE A 45 -3.787 -3.645 6.324 1.00 5.51 C ATOM 723 CG PHE A 45 -5.207 -3.279 6.589 1.00 5.98 C ATOM 724 CD1 PHE A 45 -5.568 -2.064 7.122 1.00 6.86 C ATOM 725 CD2 PHE A 45 -6.187 -4.185 6.260 1.00 5.87 C ATOM 726 CE1 PHE A 45 -6.846 -1.802 7.558 1.00 6.68 C ATOM 727 CE2 PHE A 45 -7.496 -3.853 6.518 1.00 6.64 C ATOM 728 CZ PHE A 45 -7.820 -2.706 7.203 1.00 6.84 C ATOM 0 H PHE A 45 -1.494 -4.744 6.990 1.00 6.75 H new ATOM 0 HA PHE A 45 -2.927 -2.139 7.538 1.00 4.70 H new ATOM 0 HB2 PHE A 45 -3.472 -3.186 5.387 1.00 5.51 H new ATOM 0 HB3 PHE A 45 -3.719 -4.724 6.189 1.00 5.51 H new ATOM 0 HD1 PHE A 45 -4.821 -1.288 7.201 1.00 6.86 H new ATOM 0 HD2 PHE A 45 -5.935 -5.134 5.810 1.00 5.87 H new ATOM 0 HE1 PHE A 45 -7.074 -0.928 8.151 1.00 6.68 H new ATOM 0 HE2 PHE A 45 -8.285 -4.506 6.176 1.00 6.64 H new ATOM 0 HZ PHE A 45 -8.850 -2.513 7.465 1.00 6.84 H new ATOM 738 N ALA A 46 -3.113 -3.210 9.896 1.00 6.53 N ATOM 739 CA ALA A 46 -3.258 -3.778 11.201 1.00 7.15 C ATOM 740 C ALA A 46 -2.088 -4.629 11.554 1.00 9.00 C ATOM 741 O ALA A 46 -0.974 -4.122 11.671 1.00 11.15 O ATOM 742 CB ALA A 46 -4.618 -4.466 11.410 1.00 8.99 C ATOM 0 H ALA A 46 -3.054 -2.192 9.918 1.00 6.53 H new ATOM 0 HA ALA A 46 -3.262 -2.955 11.915 1.00 7.15 H new ATOM 0 HB1 ALA A 46 -4.667 -4.877 12.418 1.00 8.99 H new ATOM 0 HB2 ALA A 46 -5.418 -3.738 11.275 1.00 8.99 H new ATOM 0 HB3 ALA A 46 -4.734 -5.271 10.684 1.00 8.99 H new ATOM 748 N GLY A 47 -2.206 -5.950 11.782 1.00 9.35 N ATOM 749 CA GLY A 47 -1.067 -6.780 12.022 1.00 11.68 C ATOM 750 C GLY A 47 -0.728 -7.773 10.963 1.00 11.14 C ATOM 751 O GLY A 47 -0.226 -8.861 11.240 1.00 13.93 O ATOM 0 H GLY A 47 -3.097 -6.445 11.800 1.00 9.35 H new ATOM 0 HA2 GLY A 47 -0.202 -6.135 12.173 1.00 11.68 H new ATOM 0 HA3 GLY A 47 -1.229 -7.319 12.955 1.00 11.68 H new ATOM 755 N LYS A 48 -1.135 -7.484 9.714 1.00 10.47 N ATOM 756 CA LYS A 48 -1.034 -8.356 8.586 1.00 8.82 C ATOM 757 C LYS A 48 -0.437 -7.613 7.441 1.00 7.68 C ATOM 758 O LYS A 48 -0.745 -6.475 7.089 1.00 6.47 O ATOM 759 CB LYS A 48 -2.375 -8.968 8.146 1.00 9.74 C ATOM 760 CG LYS A 48 -2.318 -9.897 6.932 1.00 14.14 C ATOM 761 CD LYS A 48 -3.584 -10.708 6.649 1.00 16.32 C ATOM 762 CE LYS A 48 -3.472 -12.096 7.283 1.00 20.04 C ATOM 763 NZ LYS A 48 -2.436 -13.049 6.825 1.00 23.92 N ATOM 0 H LYS A 48 -1.560 -6.587 9.479 1.00 10.47 H new ATOM 0 HA LYS A 48 -0.401 -9.187 8.896 1.00 8.82 H new ATOM 0 HB2 LYS A 48 -2.792 -9.524 8.986 1.00 9.74 H new ATOM 0 HB3 LYS A 48 -3.068 -8.156 7.926 1.00 9.74 H new ATOM 0 HG2 LYS A 48 -2.090 -9.297 6.051 1.00 14.14 H new ATOM 0 HG3 LYS A 48 -1.489 -10.591 7.069 1.00 14.14 H new ATOM 0 HD2 LYS A 48 -4.455 -10.187 7.047 1.00 16.32 H new ATOM 0 HD3 LYS A 48 -3.732 -10.802 5.573 1.00 16.32 H new ATOM 0 HE2 LYS A 48 -3.325 -11.950 8.353 1.00 20.04 H new ATOM 0 HE3 LYS A 48 -4.438 -12.586 7.158 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 -2.655 -13.999 7.186 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 -2.418 -13.069 5.785 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 -1.506 -12.749 7.181 1.00 23.92 H new ATOM 777 N GLN A 49 0.406 -8.316 6.665 1.00 8.89 N ATOM 778 CA GLN A 49 1.095 -7.715 5.566 1.00 7.18 C ATOM 779 C GLN A 49 0.589 -8.213 4.256 1.00 8.23 C ATOM 780 O GLN A 49 0.358 -9.390 3.984 1.00 9.70 O ATOM 781 CB GLN A 49 2.581 -8.100 5.670 1.00 11.67 C ATOM 782 CG GLN A 49 3.479 -7.515 4.578 1.00 15.82 C ATOM 783 CD GLN A 49 4.880 -8.087 4.736 1.00 20.21 C ATOM 784 OE1 GLN A 49 5.795 -7.332 5.062 1.00 23.23 O ATOM 785 NE2 GLN A 49 4.956 -9.421 4.482 1.00 20.67 N ATOM 0 H GLN A 49 0.611 -9.306 6.800 1.00 8.89 H new ATOM 0 HA GLN A 49 0.940 -6.637 5.612 1.00 7.18 H new ATOM 0 HB2 GLN A 49 2.957 -7.777 6.641 1.00 11.67 H new ATOM 0 HB3 GLN A 49 2.662 -9.187 5.642 1.00 11.67 H new ATOM 0 HG2 GLN A 49 3.081 -7.757 3.592 1.00 15.82 H new ATOM 0 HG3 GLN A 49 3.505 -6.428 4.653 1.00 15.82 H new ATOM 0 HE21 GLN A 49 4.118 -9.939 4.218 1.00 20.67 H new ATOM 0 HE22 GLN A 49 5.851 -9.904 4.555 1.00 20.67 H new ATOM 794 N LEU A 50 0.517 -7.279 3.290 1.00 6.51 N ATOM 795 CA LEU A 50 -0.164 -7.389 2.038 1.00 7.41 C ATOM 796 C LEU A 50 0.775 -7.825 0.967 1.00 8.27 C ATOM 797 O LEU A 50 1.948 -7.469 0.866 1.00 8.34 O ATOM 798 CB LEU A 50 -0.940 -6.138 1.592 1.00 7.13 C ATOM 799 CG LEU A 50 -1.664 -5.304 2.662 1.00 7.53 C ATOM 800 CD1 LEU A 50 -1.911 -3.900 2.084 1.00 9.11 C ATOM 801 CD2 LEU A 50 -2.960 -5.937 3.197 1.00 8.14 C ATOM 0 H LEU A 50 0.974 -6.373 3.396 1.00 6.51 H new ATOM 0 HA LEU A 50 -0.928 -8.147 2.207 1.00 7.41 H new ATOM 0 HB2 LEU A 50 -0.240 -5.480 1.076 1.00 7.13 H new ATOM 0 HB3 LEU A 50 -1.682 -6.452 0.858 1.00 7.13 H new ATOM 0 HG LEU A 50 -1.019 -5.254 3.539 1.00 7.53 H new ATOM 0 HD11 LEU A 50 -2.424 -3.287 2.825 1.00 9.11 H new ATOM 0 HD12 LEU A 50 -0.957 -3.438 1.829 1.00 9.11 H new ATOM 0 HD13 LEU A 50 -2.527 -3.979 1.188 1.00 9.11 H new ATOM 0 HD21 LEU A 50 -3.403 -5.281 3.946 1.00 8.14 H new ATOM 0 HD22 LEU A 50 -3.663 -6.076 2.376 1.00 8.14 H new ATOM 0 HD23 LEU A 50 -2.734 -6.903 3.649 1.00 8.14 H new ATOM 813 N GLU A 51 0.223 -8.704 0.112 1.00 9.43 N ATOM 814 CA GLU A 51 0.984 -9.376 -0.895 1.00 11.90 C ATOM 815 C GLU A 51 0.644 -8.886 -2.260 1.00 11.49 C ATOM 816 O GLU A 51 -0.527 -8.795 -2.627 1.00 9.88 O ATOM 817 CB GLU A 51 0.714 -10.890 -0.852 1.00 16.56 C ATOM 818 CG GLU A 51 1.458 -11.761 -1.865 1.00 26.06 C ATOM 819 CD GLU A 51 1.144 -13.225 -1.594 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.010 -13.712 -1.850 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.110 -13.881 -1.119 1.00 33.44 O ATOM 0 H GLU A 51 -0.766 -8.952 0.120 1.00 9.43 H new ATOM 0 HA GLU A 51 2.034 -9.168 -0.688 1.00 11.90 H new ATOM 0 HB2 GLU A 51 0.960 -11.249 0.147 1.00 16.56 H new ATOM 0 HB3 GLU A 51 -0.355 -11.047 -0.993 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.160 -11.495 -2.879 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.532 -11.588 -1.792 1.00 26.06 H new ATOM 828 N ASP A 52 1.670 -8.664 -3.101 1.00 12.71 N ATOM 829 CA ASP A 52 1.581 -8.027 -4.378 1.00 16.56 C ATOM 830 C ASP A 52 0.447 -8.468 -5.238 1.00 15.83 C ATOM 831 O ASP A 52 -0.396 -7.687 -5.674 1.00 17.21 O ATOM 832 CB ASP A 52 2.882 -8.269 -5.163 1.00 21.05 C ATOM 833 CG ASP A 52 4.126 -7.667 -4.525 1.00 25.12 C ATOM 834 OD1 ASP A 52 4.285 -7.761 -3.279 1.00 28.37 O ATOM 835 OD2 ASP A 52 4.900 -6.906 -5.165 1.00 25.82 O ATOM 0 H ASP A 52 2.623 -8.948 -2.873 1.00 12.71 H new ATOM 0 HA ASP A 52 1.409 -6.975 -4.151 1.00 16.56 H new ATOM 0 HB2 ASP A 52 3.030 -9.343 -5.274 1.00 21.05 H new ATOM 0 HB3 ASP A 52 2.768 -7.857 -6.166 1.00 21.05 H new ATOM 840 N GLY A 53 0.378 -9.763 -5.597 1.00 15.00 N ATOM 841 CA GLY A 53 -0.585 -10.283 -6.517 1.00 11.77 C ATOM 842 C GLY A 53 -1.996 -10.402 -6.053 1.00 11.10 C ATOM 843 O GLY A 53 -2.866 -10.807 -6.823 1.00 11.25 O ATOM 0 H GLY A 53 1.015 -10.472 -5.234 1.00 15.00 H new ATOM 0 HA2 GLY A 53 -0.577 -9.650 -7.404 1.00 11.77 H new ATOM 0 HA3 GLY A 53 -0.250 -11.272 -6.828 1.00 11.77 H new ATOM 847 N ARG A 54 -2.282 -10.096 -4.776 1.00 8.53 N ATOM 848 CA ARG A 54 -3.652 -10.016 -4.373 1.00 9.05 C ATOM 849 C ARG A 54 -4.218 -8.676 -4.695 1.00 8.96 C ATOM 850 O ARG A 54 -3.521 -7.775 -5.159 1.00 11.60 O ATOM 851 CB ARG A 54 -3.919 -10.243 -2.875 1.00 7.97 C ATOM 852 CG ARG A 54 -3.192 -11.432 -2.244 1.00 9.62 C ATOM 853 CD ARG A 54 -3.313 -12.783 -2.952 1.00 12.20 C ATOM 854 NE ARG A 54 -4.715 -13.272 -2.824 1.00 18.23 N ATOM 855 CZ ARG A 54 -5.278 -14.255 -3.585 1.00 22.08 C ATOM 856 NH1 ARG A 54 -4.572 -14.965 -4.514 1.00 23.38 N ATOM 857 NH2 ARG A 54 -6.618 -14.498 -3.497 1.00 25.50 N ATOM 0 H ARG A 54 -1.595 -9.910 -4.046 1.00 8.53 H new ATOM 0 HA ARG A 54 -4.123 -10.827 -4.928 1.00 9.05 H new ATOM 0 HB2 ARG A 54 -3.637 -9.340 -2.334 1.00 7.97 H new ATOM 0 HB3 ARG A 54 -4.991 -10.379 -2.732 1.00 7.97 H new ATOM 0 HG2 ARG A 54 -2.134 -11.182 -2.173 1.00 9.62 H new ATOM 0 HG3 ARG A 54 -3.560 -11.551 -1.225 1.00 9.62 H new ATOM 0 HD2 ARG A 54 -3.043 -12.683 -4.003 1.00 12.20 H new ATOM 0 HD3 ARG A 54 -2.622 -13.502 -2.513 1.00 12.20 H new ATOM 0 HE ARG A 54 -5.300 -12.837 -2.111 1.00 18.23 H new ATOM 0 HH11 ARG A 54 -3.582 -14.769 -4.661 1.00 23.38 H new ATOM 0 HH12 ARG A 54 -5.035 -15.691 -5.060 1.00 23.38 H new ATOM 0 HH21 ARG A 54 -7.196 -13.946 -2.864 1.00 25.50 H new ATOM 0 HH22 ARG A 54 -7.042 -15.232 -4.065 1.00 25.50 H new ATOM 871 N THR A 55 -5.510 -8.451 -4.399 1.00 9.05 N ATOM 872 CA THR A 55 -6.184 -7.204 -4.589 1.00 9.03 C ATOM 873 C THR A 55 -6.400 -6.537 -3.274 1.00 8.15 C ATOM 874 O THR A 55 -6.221 -7.180 -2.241 1.00 5.91 O ATOM 875 CB THR A 55 -7.522 -7.372 -5.246 1.00 11.15 C ATOM 876 OG1 THR A 55 -8.392 -8.219 -4.510 1.00 11.95 O ATOM 877 CG2 THR A 55 -7.354 -7.983 -6.648 1.00 11.71 C ATOM 0 H THR A 55 -6.114 -9.174 -4.008 1.00 9.05 H new ATOM 0 HA THR A 55 -5.548 -6.601 -5.238 1.00 9.03 H new ATOM 0 HB THR A 55 -7.961 -6.376 -5.297 1.00 11.15 H new ATOM 0 HG1 THR A 55 -9.249 -8.294 -4.979 1.00 11.95 H new ATOM 0 HG21 THR A 55 -8.333 -8.100 -7.114 1.00 11.71 H new ATOM 0 HG22 THR A 55 -6.737 -7.325 -7.260 1.00 11.71 H new ATOM 0 HG23 THR A 55 -6.873 -8.958 -6.565 1.00 11.71 H new ATOM 885 N LEU A 56 -6.998 -5.333 -3.306 1.00 6.91 N ATOM 886 CA LEU A 56 -7.292 -4.541 -2.151 1.00 8.29 C ATOM 887 C LEU A 56 -8.451 -5.156 -1.445 1.00 8.05 C ATOM 888 O LEU A 56 -8.451 -5.160 -0.215 1.00 10.17 O ATOM 889 CB LEU A 56 -7.569 -3.096 -2.599 1.00 6.60 C ATOM 890 CG LEU A 56 -6.294 -2.285 -2.884 1.00 7.73 C ATOM 891 CD1 LEU A 56 -6.728 -0.984 -3.580 1.00 8.64 C ATOM 892 CD2 LEU A 56 -5.522 -1.877 -1.618 1.00 9.85 C ATOM 0 H LEU A 56 -7.290 -4.891 -4.177 1.00 6.91 H new ATOM 0 HA LEU A 56 -6.454 -4.511 -1.455 1.00 8.29 H new ATOM 0 HB2 LEU A 56 -8.186 -3.115 -3.497 1.00 6.60 H new ATOM 0 HB3 LEU A 56 -8.147 -2.589 -1.826 1.00 6.60 H new ATOM 0 HG LEU A 56 -5.637 -2.915 -3.484 1.00 7.73 H new ATOM 0 HD11 LEU A 56 -5.849 -0.378 -3.800 1.00 8.64 H new ATOM 0 HD12 LEU A 56 -7.245 -1.223 -4.509 1.00 8.64 H new ATOM 0 HD13 LEU A 56 -7.398 -0.427 -2.925 1.00 8.64 H new ATOM 0 HD21 LEU A 56 -4.636 -1.308 -1.900 1.00 9.85 H new ATOM 0 HD22 LEU A 56 -6.161 -1.262 -0.984 1.00 9.85 H new ATOM 0 HD23 LEU A 56 -5.221 -2.771 -1.071 1.00 9.85 H new ATOM 904 N SER A 57 -9.443 -5.776 -2.109 1.00 8.92 N ATOM 905 CA SER A 57 -10.663 -6.330 -1.608 1.00 9.00 C ATOM 906 C SER A 57 -10.430 -7.653 -0.964 1.00 9.44 C ATOM 907 O SER A 57 -11.121 -8.022 -0.016 1.00 10.91 O ATOM 908 CB SER A 57 -11.754 -6.425 -2.688 1.00 10.32 C ATOM 909 OG SER A 57 -13.026 -6.704 -2.124 1.00 13.59 O ATOM 0 H SER A 57 -9.378 -5.902 -3.119 1.00 8.92 H new ATOM 0 HA SER A 57 -11.031 -5.641 -0.848 1.00 9.00 H new ATOM 0 HB2 SER A 57 -11.799 -5.488 -3.243 1.00 10.32 H new ATOM 0 HB3 SER A 57 -11.493 -7.206 -3.402 1.00 10.32 H new ATOM 0 HG SER A 57 -13.696 -6.756 -2.837 1.00 13.59 H new ATOM 915 N ASP A 58 -9.378 -8.362 -1.412 1.00 9.11 N ATOM 916 CA ASP A 58 -9.067 -9.645 -0.860 1.00 7.91 C ATOM 917 C ASP A 58 -8.699 -9.506 0.577 1.00 9.12 C ATOM 918 O ASP A 58 -8.988 -10.445 1.317 1.00 8.61 O ATOM 919 CB ASP A 58 -8.025 -10.300 -1.782 1.00 8.41 C ATOM 920 CG ASP A 58 -7.802 -11.794 -1.588 1.00 11.50 C ATOM 921 OD1 ASP A 58 -8.776 -12.567 -1.788 1.00 11.70 O ATOM 922 OD2 ASP A 58 -6.704 -12.243 -1.162 1.00 10.05 O ATOM 0 H ASP A 58 -8.747 -8.050 -2.150 1.00 9.11 H new ATOM 0 HA ASP A 58 -9.919 -10.324 -0.835 1.00 7.91 H new ATOM 0 HB2 ASP A 58 -8.327 -10.130 -2.816 1.00 8.41 H new ATOM 0 HB3 ASP A 58 -7.072 -9.790 -1.640 1.00 8.41 H new ATOM 927 N TYR A 59 -8.029 -8.425 1.014 1.00 7.97 N ATOM 928 CA TYR A 59 -7.787 -7.973 2.349 1.00 8.45 C ATOM 929 C TYR A 59 -8.852 -7.085 2.893 1.00 10.98 C ATOM 930 O TYR A 59 -8.793 -6.751 4.076 1.00 12.95 O ATOM 931 CB TYR A 59 -6.443 -7.225 2.329 1.00 7.94 C ATOM 932 CG TYR A 59 -5.287 -8.122 2.048 1.00 6.91 C ATOM 933 CD1 TYR A 59 -4.996 -9.094 2.975 1.00 6.98 C ATOM 934 CD2 TYR A 59 -4.574 -8.083 0.872 1.00 4.59 C ATOM 935 CE1 TYR A 59 -3.882 -9.884 2.820 1.00 6.52 C ATOM 936 CE2 TYR A 59 -3.431 -8.825 0.691 1.00 5.39 C ATOM 937 CZ TYR A 59 -3.102 -9.694 1.704 1.00 6.76 C ATOM 938 OH TYR A 59 -1.831 -10.280 1.526 1.00 7.63 O ATOM 0 H TYR A 59 -7.604 -7.789 0.340 1.00 7.97 H new ATOM 0 HA TYR A 59 -7.775 -8.841 3.008 1.00 8.45 H new ATOM 0 HB2 TYR A 59 -6.480 -6.440 1.573 1.00 7.94 H new ATOM 0 HB3 TYR A 59 -6.291 -6.734 3.290 1.00 7.94 H new ATOM 0 HD1 TYR A 59 -5.644 -9.237 3.827 1.00 6.98 H new ATOM 0 HD2 TYR A 59 -4.922 -7.451 0.068 1.00 4.59 H new ATOM 0 HE1 TYR A 59 -3.626 -10.633 3.555 1.00 6.52 H new ATOM 0 HE2 TYR A 59 -2.825 -8.730 -0.198 1.00 5.39 H new ATOM 0 HH TYR A 59 -1.791 -10.715 0.649 1.00 7.63 H new ATOM 948 N ASN A 60 -9.923 -6.832 2.120 1.00 12.38 N ATOM 949 CA ASN A 60 -10.971 -5.959 2.549 1.00 13.94 C ATOM 950 C ASN A 60 -10.521 -4.576 2.874 1.00 14.16 C ATOM 951 O ASN A 60 -10.840 -4.045 3.937 1.00 14.26 O ATOM 952 CB ASN A 60 -11.804 -6.590 3.677 1.00 19.23 C ATOM 953 CG ASN A 60 -12.461 -7.917 3.325 1.00 22.65 C ATOM 954 OD1 ASN A 60 -12.145 -8.961 3.892 1.00 25.45 O ATOM 955 ND2 ASN A 60 -13.447 -7.785 2.398 1.00 24.09 N ATOM 0 H ASN A 60 -10.063 -7.234 1.193 1.00 12.38 H new ATOM 0 HA ASN A 60 -11.625 -5.836 1.685 1.00 13.94 H new ATOM 0 HB2 ASN A 60 -11.160 -6.739 4.544 1.00 19.23 H new ATOM 0 HB3 ASN A 60 -12.580 -5.885 3.974 1.00 19.23 H new ATOM 0 HD21 ASN A 60 -13.997 -8.597 2.119 1.00 24.09 H new ATOM 0 HD22 ASN A 60 -13.636 -6.874 1.981 1.00 24.09 H new ATOM 962 N ILE A 61 -9.741 -3.901 2.011 1.00 11.08 N ATOM 963 CA ILE A 61 -9.431 -2.512 2.152 1.00 11.78 C ATOM 964 C ILE A 61 -10.614 -1.755 1.655 1.00 13.74 C ATOM 965 O ILE A 61 -10.969 -1.836 0.480 1.00 14.60 O ATOM 966 CB ILE A 61 -8.175 -2.174 1.406 1.00 11.80 C ATOM 967 CG1 ILE A 61 -6.956 -2.963 1.914 1.00 11.56 C ATOM 968 CG2 ILE A 61 -7.794 -0.692 1.246 1.00 13.29 C ATOM 969 CD1 ILE A 61 -6.709 -2.698 3.398 1.00 11.42 C ATOM 0 H ILE A 61 -9.314 -4.333 1.192 1.00 11.08 H new ATOM 0 HA ILE A 61 -9.237 -2.246 3.191 1.00 11.78 H new ATOM 0 HB ILE A 61 -8.456 -2.487 0.400 1.00 11.80 H new ATOM 0 HG12 ILE A 61 -7.116 -4.029 1.754 1.00 11.56 H new ATOM 0 HG13 ILE A 61 -6.073 -2.683 1.340 1.00 11.56 H new ATOM 0 HG21 ILE A 61 -6.863 -0.614 0.685 1.00 13.29 H new ATOM 0 HG22 ILE A 61 -8.586 -0.169 0.710 1.00 13.29 H new ATOM 0 HG23 ILE A 61 -7.663 -0.242 2.230 1.00 13.29 H new ATOM 0 HD11 ILE A 61 -5.842 -3.269 3.730 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -6.525 -1.635 3.552 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -7.584 -3.001 3.972 1.00 11.42 H new ATOM 981 N GLN A 62 -11.246 -1.070 2.625 1.00 13.97 N ATOM 982 CA GLN A 62 -12.326 -0.188 2.307 1.00 15.52 C ATOM 983 C GLN A 62 -11.858 1.186 1.974 1.00 13.94 C ATOM 984 O GLN A 62 -10.678 1.532 2.023 1.00 12.15 O ATOM 985 CB GLN A 62 -13.306 -0.014 3.480 1.00 19.53 C ATOM 986 CG GLN A 62 -14.018 -1.343 3.743 1.00 26.38 C ATOM 987 CD GLN A 62 -14.923 -1.302 4.966 1.00 30.61 C ATOM 988 OE1 GLN A 62 -16.142 -1.414 4.844 1.00 33.23 O ATOM 989 NE2 GLN A 62 -14.432 -1.076 6.214 1.00 32.71 N ATOM 0 H GLN A 62 -11.014 -1.125 3.617 1.00 13.97 H new ATOM 0 HA GLN A 62 -12.812 -0.659 1.452 1.00 15.52 H new ATOM 0 HB2 GLN A 62 -12.770 0.308 4.373 1.00 19.53 H new ATOM 0 HB3 GLN A 62 -14.035 0.763 3.248 1.00 19.53 H new ATOM 0 HG2 GLN A 62 -14.611 -1.610 2.868 1.00 26.38 H new ATOM 0 HG3 GLN A 62 -13.273 -2.128 3.875 1.00 26.38 H new ATOM 0 HE21 GLN A 62 -13.427 -0.977 6.356 1.00 32.71 H new ATOM 0 HE22 GLN A 62 -15.069 -1.005 7.008 1.00 32.71 H new ATOM 998 N LYS A 63 -12.775 2.131 1.701 1.00 11.73 N ATOM 999 CA LYS A 63 -12.424 3.517 1.699 1.00 11.97 C ATOM 1000 C LYS A 63 -11.988 4.068 3.013 1.00 10.41 C ATOM 1001 O LYS A 63 -12.609 3.767 4.031 1.00 9.59 O ATOM 1002 CB LYS A 63 -13.524 4.415 1.107 1.00 13.73 C ATOM 1003 CG LYS A 63 -14.797 4.468 1.954 1.00 16.98 C ATOM 1004 CD LYS A 63 -15.925 5.209 1.234 1.00 20.19 C ATOM 1005 CE LYS A 63 -17.287 5.487 1.873 1.00 23.42 C ATOM 1006 NZ LYS A 63 -17.124 6.529 2.912 1.00 25.97 N ATOM 0 H LYS A 63 -13.753 1.938 1.483 1.00 11.73 H new ATOM 0 HA LYS A 63 -11.551 3.538 1.047 1.00 11.97 H new ATOM 0 HB2 LYS A 63 -13.133 5.426 0.992 1.00 13.73 H new ATOM 0 HB3 LYS A 63 -13.777 4.055 0.110 1.00 13.73 H new ATOM 0 HG2 LYS A 63 -15.120 3.454 2.189 1.00 16.98 H new ATOM 0 HG3 LYS A 63 -14.583 4.963 2.902 1.00 16.98 H new ATOM 0 HD2 LYS A 63 -15.519 6.177 0.940 1.00 20.19 H new ATOM 0 HD3 LYS A 63 -16.122 4.654 0.317 1.00 20.19 H new ATOM 0 HE2 LYS A 63 -17.998 5.817 1.116 1.00 23.42 H new ATOM 0 HE3 LYS A 63 -17.690 4.575 2.313 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 -18.045 6.726 3.353 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 -16.457 6.195 3.637 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 -16.756 7.399 2.477 1.00 25.97 H new ATOM 1020 N GLU A 64 -10.885 4.838 2.991 1.00 10.04 N ATOM 1021 CA GLU A 64 -10.353 5.574 4.096 1.00 10.94 C ATOM 1022 C GLU A 64 -9.781 4.666 5.130 1.00 9.74 C ATOM 1023 O GLU A 64 -9.853 4.852 6.344 1.00 9.42 O ATOM 1024 CB GLU A 64 -11.328 6.640 4.622 1.00 18.31 C ATOM 1025 CG GLU A 64 -11.675 7.778 3.661 1.00 24.16 C ATOM 1026 CD GLU A 64 -12.711 8.829 4.033 1.00 29.00 C ATOM 1027 OE1 GLU A 64 -13.782 8.430 4.565 1.00 31.72 O ATOM 1028 OE2 GLU A 64 -12.526 10.066 3.879 1.00 32.61 O ATOM 0 H GLU A 64 -10.328 4.953 2.144 1.00 10.04 H new ATOM 0 HA GLU A 64 -9.506 6.160 3.738 1.00 10.94 H new ATOM 0 HB2 GLU A 64 -12.254 6.143 4.911 1.00 18.31 H new ATOM 0 HB3 GLU A 64 -10.903 7.075 5.527 1.00 18.31 H new ATOM 0 HG2 GLU A 64 -10.747 8.307 3.444 1.00 24.16 H new ATOM 0 HG3 GLU A 64 -12.006 7.319 2.729 1.00 24.16 H new ATOM 1035 N SER A 65 -9.268 3.529 4.628 1.00 6.85 N ATOM 1036 CA SER A 65 -8.424 2.609 5.326 1.00 6.90 C ATOM 1037 C SER A 65 -7.019 3.099 5.244 1.00 4.72 C ATOM 1038 O SER A 65 -6.504 3.360 4.158 1.00 3.91 O ATOM 1039 CB SER A 65 -8.501 1.110 4.993 1.00 7.28 C ATOM 1040 OG SER A 65 -7.593 0.310 5.736 1.00 10.56 O ATOM 0 H SER A 65 -9.456 3.233 3.670 1.00 6.85 H new ATOM 0 HA SER A 65 -8.827 2.613 6.339 1.00 6.90 H new ATOM 0 HB2 SER A 65 -9.516 0.758 5.178 1.00 7.28 H new ATOM 0 HB3 SER A 65 -8.305 0.973 3.930 1.00 7.28 H new ATOM 0 HG SER A 65 -8.086 -0.398 6.202 1.00 10.56 H new ATOM 1046 N THR A 66 -6.283 3.094 6.370 1.00 4.48 N ATOM 1047 CA THR A 66 -4.932 3.561 6.354 1.00 3.80 C ATOM 1048 C THR A 66 -4.026 2.379 6.392 1.00 4.60 C ATOM 1049 O THR A 66 -4.044 1.558 7.308 1.00 5.33 O ATOM 1050 CB THR A 66 -4.547 4.518 7.443 1.00 2.85 C ATOM 1051 OG1 THR A 66 -5.406 5.648 7.489 1.00 2.15 O ATOM 1052 CG2 THR A 66 -3.154 5.148 7.275 1.00 3.40 C ATOM 0 H THR A 66 -6.617 2.772 7.278 1.00 4.48 H new ATOM 0 HA THR A 66 -4.835 4.141 5.436 1.00 3.80 H new ATOM 0 HB THR A 66 -4.596 3.890 8.332 1.00 2.85 H new ATOM 0 HG1 THR A 66 -5.122 6.245 8.212 1.00 2.15 H new ATOM 0 HG21 THR A 66 -2.959 5.826 8.106 1.00 3.40 H new ATOM 0 HG22 THR A 66 -2.399 4.362 7.262 1.00 3.40 H new ATOM 0 HG23 THR A 66 -3.116 5.703 6.338 1.00 3.40 H new ATOM 1060 N LEU A 67 -3.149 2.279 5.378 1.00 4.17 N ATOM 1061 CA LEU A 67 -2.027 1.394 5.434 1.00 3.85 C ATOM 1062 C LEU A 67 -0.832 1.897 6.169 1.00 3.80 C ATOM 1063 O LEU A 67 -0.507 3.054 5.908 1.00 5.54 O ATOM 1064 CB LEU A 67 -1.579 0.947 4.032 1.00 7.18 C ATOM 1065 CG LEU A 67 -2.724 0.537 3.091 1.00 9.67 C ATOM 1066 CD1 LEU A 67 -2.209 0.175 1.688 1.00 11.66 C ATOM 1067 CD2 LEU A 67 -3.573 -0.644 3.589 1.00 8.12 C ATOM 0 H LEU A 67 -3.218 2.815 4.513 1.00 4.17 H new ATOM 0 HA LEU A 67 -2.416 0.555 6.011 1.00 3.85 H new ATOM 0 HB2 LEU A 67 -1.019 1.759 3.568 1.00 7.18 H new ATOM 0 HB3 LEU A 67 -0.893 0.106 4.136 1.00 7.18 H new ATOM 0 HG LEU A 67 -3.358 1.423 3.063 1.00 9.67 H new ATOM 0 HD11 LEU A 67 -3.049 -0.109 1.054 1.00 11.66 H new ATOM 0 HD12 LEU A 67 -1.701 1.036 1.253 1.00 11.66 H new ATOM 0 HD13 LEU A 67 -1.511 -0.659 1.761 1.00 11.66 H new ATOM 0 HD21 LEU A 67 -4.355 -0.862 2.862 1.00 8.12 H new ATOM 0 HD22 LEU A 67 -2.938 -1.521 3.713 1.00 8.12 H new ATOM 0 HD23 LEU A 67 -4.028 -0.387 4.545 1.00 8.12 H new ATOM 1079 N HIS A 68 -0.166 1.047 6.971 1.00 2.94 N ATOM 1080 CA HIS A 68 1.038 1.501 7.595 1.00 4.17 C ATOM 1081 C HIS A 68 2.160 1.213 6.658 1.00 5.32 C ATOM 1082 O HIS A 68 2.515 0.063 6.404 1.00 7.70 O ATOM 1083 CB HIS A 68 1.271 0.684 8.878 1.00 5.57 C ATOM 1084 CG HIS A 68 0.264 1.116 9.903 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.169 0.199 10.839 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.534 2.203 10.073 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.167 0.784 11.555 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.420 2.001 11.111 1.00 16.30 N ATOM 0 H HIS A 68 -0.444 0.088 7.181 1.00 2.94 H new ATOM 0 HA HIS A 68 0.974 2.563 7.831 1.00 4.17 H new ATOM 0 HB2 HIS A 68 1.170 -0.382 8.673 1.00 5.57 H new ATOM 0 HB3 HIS A 68 2.283 0.843 9.250 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.482 3.102 9.477 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -1.684 0.314 12.379 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -2.122 2.653 11.461 1.00 16.30 H new ATOM 1096 N LEU A 69 2.794 2.288 6.156 1.00 5.29 N ATOM 1097 CA LEU A 69 3.931 2.058 5.320 1.00 3.97 C ATOM 1098 C LEU A 69 5.206 2.061 6.090 1.00 5.07 C ATOM 1099 O LEU A 69 5.730 3.118 6.436 1.00 4.34 O ATOM 1100 CB LEU A 69 3.998 3.293 4.405 1.00 6.08 C ATOM 1101 CG LEU A 69 5.107 3.241 3.340 1.00 7.37 C ATOM 1102 CD1 LEU A 69 5.339 1.921 2.587 1.00 9.96 C ATOM 1103 CD2 LEU A 69 4.770 4.199 2.185 1.00 6.87 C ATOM 0 H LEU A 69 2.540 3.263 6.315 1.00 5.29 H new ATOM 0 HA LEU A 69 3.827 1.097 4.816 1.00 3.97 H new ATOM 0 HB2 LEU A 69 3.037 3.411 3.905 1.00 6.08 H new ATOM 0 HB3 LEU A 69 4.146 4.179 5.022 1.00 6.08 H new ATOM 0 HG LEU A 69 5.983 3.465 3.949 1.00 7.37 H new ATOM 0 HD11 LEU A 69 6.152 2.048 1.873 1.00 9.96 H new ATOM 0 HD12 LEU A 69 5.600 1.137 3.298 1.00 9.96 H new ATOM 0 HD13 LEU A 69 4.430 1.641 2.055 1.00 9.96 H new ATOM 0 HD21 LEU A 69 5.560 4.157 1.435 1.00 6.87 H new ATOM 0 HD22 LEU A 69 3.823 3.904 1.732 1.00 6.87 H new ATOM 0 HD23 LEU A 69 4.688 5.216 2.568 1.00 6.87 H new ATOM 1115 N VAL A 70 5.777 0.857 6.277 1.00 4.29 N ATOM 1116 CA VAL A 70 6.999 0.562 6.959 1.00 6.26 C ATOM 1117 C VAL A 70 7.985 0.251 5.886 1.00 9.22 C ATOM 1118 O VAL A 70 7.694 -0.431 4.904 1.00 9.36 O ATOM 1119 CB VAL A 70 6.787 -0.643 7.826 1.00 8.69 C ATOM 1120 CG1 VAL A 70 8.029 -1.263 8.488 1.00 9.76 C ATOM 1121 CG2 VAL A 70 5.685 -0.295 8.841 1.00 8.54 C ATOM 0 H VAL A 70 5.339 0.010 5.915 1.00 4.29 H new ATOM 0 HA VAL A 70 7.339 1.383 7.590 1.00 6.26 H new ATOM 0 HB VAL A 70 6.486 -1.454 7.163 1.00 8.69 H new ATOM 0 HG11 VAL A 70 7.731 -2.125 9.085 1.00 9.76 H new ATOM 0 HG12 VAL A 70 8.732 -1.580 7.718 1.00 9.76 H new ATOM 0 HG13 VAL A 70 8.506 -0.524 9.131 1.00 9.76 H new ATOM 0 HG21 VAL A 70 5.504 -1.152 9.490 1.00 8.54 H new ATOM 0 HG22 VAL A 70 6.001 0.556 9.444 1.00 8.54 H new ATOM 0 HG23 VAL A 70 4.767 -0.043 8.310 1.00 8.54 H new ATOM 1131 N LEU A 71 9.203 0.779 6.103 1.00 12.71 N ATOM 1132 CA LEU A 71 10.226 0.732 5.105 1.00 16.06 C ATOM 1133 C LEU A 71 11.299 -0.282 5.301 1.00 18.09 C ATOM 1134 O LEU A 71 11.873 -0.405 6.383 1.00 19.26 O ATOM 1135 CB LEU A 71 10.852 2.107 4.817 1.00 17.10 C ATOM 1136 CG LEU A 71 9.877 3.167 4.278 1.00 19.37 C ATOM 1137 CD1 LEU A 71 10.397 4.608 4.414 1.00 19.57 C ATOM 1138 CD2 LEU A 71 9.558 2.919 2.794 1.00 17.51 C ATOM 0 H LEU A 71 9.479 1.239 6.970 1.00 12.71 H new ATOM 0 HA LEU A 71 9.666 0.398 4.232 1.00 16.06 H new ATOM 0 HB2 LEU A 71 11.302 2.484 5.735 1.00 17.10 H new ATOM 0 HB3 LEU A 71 11.659 1.978 4.096 1.00 17.10 H new ATOM 0 HG LEU A 71 8.983 3.066 4.893 1.00 19.37 H new ATOM 0 HD11 LEU A 71 9.657 5.301 4.013 1.00 19.57 H new ATOM 0 HD12 LEU A 71 10.573 4.833 5.466 1.00 19.57 H new ATOM 0 HD13 LEU A 71 11.330 4.712 3.859 1.00 19.57 H new ATOM 0 HD21 LEU A 71 8.867 3.683 2.438 1.00 17.51 H new ATOM 0 HD22 LEU A 71 10.478 2.963 2.212 1.00 17.51 H new ATOM 0 HD23 LEU A 71 9.103 1.935 2.679 1.00 17.51 H new