USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 494 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 TYR OH : rot 180:sc= 0.154 USER MOD Set 1.2: A 27 GLN : amide:sc= -0.234 X(o=-0.079,f=0.067) USER MOD Set 2.1: A 13 CYS SG : rot 61:sc= 0.642 USER MOD Set 2.2: A 31 ASN : amide:sc= 1.65 K(o=2.3,f=-8.2!) USER MOD Single : A 1 MET CE :methyl -143:sc= -0.223 (180deg=-0.867) USER MOD Single : A 1 MET N :NH3+ -131:sc= -0.0263 (180deg=-0.213) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 15 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0675) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.00215 USER MOD Single : A 35 ASN : amide:sc= -1.06! C(o=-1.1!,f=-4.6!) USER MOD Single : A 38 TYR OH : rot 180:sc=-0.00777 USER MOD Single : A 53 THR OG1 : rot -49:sc= 0.773 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.036 USER MOD Single : A 58 ASN : amide:sc= 0.863 K(o=0.86,f=-0.54) USER MOD Single : A 59 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.859 19.386 4.825 1.00 0.00 N ATOM 2 CA MET A 1 -12.084 18.437 5.658 1.00 0.00 C ATOM 3 C MET A 1 -10.735 18.149 5.014 1.00 0.00 C ATOM 4 O MET A 1 -10.622 18.128 3.790 1.00 0.00 O ATOM 5 CB MET A 1 -12.856 17.123 5.832 1.00 0.00 C ATOM 6 CG MET A 1 -14.191 17.280 6.539 1.00 0.00 C ATOM 7 SD MET A 1 -15.106 15.725 6.654 1.00 0.00 S ATOM 8 CE MET A 1 -15.322 15.328 4.921 1.00 0.00 C ATOM 0 H1 MET A 1 -13.226 20.153 5.423 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.242 19.786 4.089 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.653 18.886 4.377 1.00 0.00 H new ATOM 0 HA MET A 1 -11.927 18.892 6.636 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.026 16.681 4.850 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.239 16.423 6.395 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.023 17.673 7.542 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.796 18.014 6.006 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.303 14.877 4.771 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.246 16.239 4.327 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.548 14.626 4.609 1.00 0.00 H new ATOM 20 N SER A 2 -9.720 17.943 5.838 1.00 0.00 N ATOM 21 CA SER A 2 -8.390 17.615 5.349 1.00 0.00 C ATOM 22 C SER A 2 -8.124 16.123 5.500 1.00 0.00 C ATOM 23 O SER A 2 -8.499 15.525 6.512 1.00 0.00 O ATOM 24 CB SER A 2 -7.334 18.425 6.102 1.00 0.00 C ATOM 25 OG SER A 2 -7.481 18.283 7.505 1.00 0.00 O ATOM 0 H SER A 2 -9.793 17.998 6.854 1.00 0.00 H new ATOM 0 HA SER A 2 -8.334 17.871 4.291 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.339 18.096 5.803 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.417 19.477 5.830 1.00 0.00 H new ATOM 0 HG SER A 2 -6.792 18.810 7.961 1.00 0.00 H new ATOM 31 N LEU A 3 -7.485 15.539 4.486 1.00 0.00 N ATOM 32 CA LEU A 3 -7.214 14.104 4.436 1.00 0.00 C ATOM 33 C LEU A 3 -8.518 13.332 4.249 1.00 0.00 C ATOM 34 O LEU A 3 -9.392 13.349 5.112 1.00 0.00 O ATOM 35 CB LEU A 3 -6.479 13.628 5.698 1.00 0.00 C ATOM 36 CG LEU A 3 -6.151 12.134 5.737 1.00 0.00 C ATOM 37 CD1 LEU A 3 -5.160 11.765 4.641 1.00 0.00 C ATOM 38 CD2 LEU A 3 -5.607 11.740 7.103 1.00 0.00 C ATOM 0 H LEU A 3 -7.140 16.051 3.674 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.562 13.910 3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.550 14.190 5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.088 13.873 6.568 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.074 11.581 5.560 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.943 10.698 4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.589 12.004 3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.238 12.329 4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.380 10.674 7.111 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.699 12.306 7.310 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.352 11.958 7.868 1.00 0.00 H new ATOM 50 N ASP A 4 -8.650 12.669 3.111 1.00 0.00 N ATOM 51 CA ASP A 4 -9.879 11.953 2.792 1.00 0.00 C ATOM 52 C ASP A 4 -9.686 10.444 2.862 1.00 0.00 C ATOM 53 O ASP A 4 -9.291 9.812 1.880 1.00 0.00 O ATOM 54 CB ASP A 4 -10.416 12.340 1.416 1.00 0.00 C ATOM 55 CG ASP A 4 -11.728 11.642 1.117 1.00 0.00 C ATOM 56 OD1 ASP A 4 -12.755 12.022 1.722 1.00 0.00 O ATOM 57 OD2 ASP A 4 -11.738 10.704 0.295 1.00 0.00 O ATOM 0 H ASP A 4 -7.926 12.611 2.395 1.00 0.00 H new ATOM 0 HA ASP A 4 -10.611 12.245 3.545 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.558 13.420 1.370 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -9.683 12.082 0.652 1.00 0.00 H new ATOM 62 N PRO A 5 -9.913 9.841 4.039 1.00 0.00 N ATOM 63 CA PRO A 5 -9.820 8.391 4.206 1.00 0.00 C ATOM 64 C PRO A 5 -11.004 7.669 3.561 1.00 0.00 C ATOM 65 O PRO A 5 -11.134 6.455 3.669 1.00 0.00 O ATOM 66 CB PRO A 5 -9.838 8.207 5.724 1.00 0.00 C ATOM 67 CG PRO A 5 -10.594 9.383 6.236 1.00 0.00 C ATOM 68 CD PRO A 5 -10.291 10.517 5.293 1.00 0.00 C ATOM 0 HA PRO A 5 -8.933 7.974 3.729 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -10.323 7.272 6.004 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.828 8.177 6.132 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -11.664 9.176 6.265 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -10.289 9.630 7.253 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -11.157 11.163 5.153 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -9.483 11.144 5.669 1.00 0.00 H new ATOM 76 N GLN A 6 -11.857 8.431 2.882 1.00 0.00 N ATOM 77 CA GLN A 6 -13.044 7.886 2.237 1.00 0.00 C ATOM 78 C GLN A 6 -12.654 7.103 0.988 1.00 0.00 C ATOM 79 O GLN A 6 -13.226 6.053 0.697 1.00 0.00 O ATOM 80 CB GLN A 6 -14.011 9.022 1.886 1.00 0.00 C ATOM 81 CG GLN A 6 -15.301 8.567 1.223 1.00 0.00 C ATOM 82 CD GLN A 6 -15.443 9.091 -0.191 1.00 0.00 C ATOM 83 OE1 GLN A 6 -15.025 8.445 -1.152 1.00 0.00 O ATOM 84 NE2 GLN A 6 -16.036 10.264 -0.331 1.00 0.00 N ATOM 0 H GLN A 6 -11.745 9.438 2.765 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.543 7.203 2.924 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.258 9.567 2.797 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.504 9.723 1.223 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.333 7.478 1.208 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -16.150 8.903 1.818 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -16.369 10.769 0.491 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.161 10.665 -1.261 1.00 0.00 H new ATOM 93 N LEU A 7 -11.660 7.607 0.267 1.00 0.00 N ATOM 94 CA LEU A 7 -11.165 6.940 -0.934 1.00 0.00 C ATOM 95 C LEU A 7 -10.261 5.760 -0.583 1.00 0.00 C ATOM 96 O LEU A 7 -9.711 5.103 -1.468 1.00 0.00 O ATOM 97 CB LEU A 7 -10.399 7.930 -1.812 1.00 0.00 C ATOM 98 CG LEU A 7 -11.235 9.077 -2.386 1.00 0.00 C ATOM 99 CD1 LEU A 7 -10.354 10.030 -3.180 1.00 0.00 C ATOM 100 CD2 LEU A 7 -12.357 8.533 -3.255 1.00 0.00 C ATOM 0 H LEU A 7 -11.179 8.478 0.493 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.028 6.560 -1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.583 8.354 -1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.947 7.383 -2.639 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.680 9.630 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.963 10.840 -3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.585 10.444 -2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.882 9.490 -4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.942 9.361 -3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.933 7.957 -4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -13.002 7.890 -2.656 1.00 0.00 H new ATOM 112 N LEU A 8 -10.104 5.495 0.707 1.00 0.00 N ATOM 113 CA LEU A 8 -9.250 4.406 1.161 1.00 0.00 C ATOM 114 C LEU A 8 -10.040 3.406 1.999 1.00 0.00 C ATOM 115 O LEU A 8 -9.940 2.199 1.786 1.00 0.00 O ATOM 116 CB LEU A 8 -8.073 4.955 1.976 1.00 0.00 C ATOM 117 CG LEU A 8 -7.131 5.889 1.212 1.00 0.00 C ATOM 118 CD1 LEU A 8 -6.050 6.430 2.134 1.00 0.00 C ATOM 119 CD2 LEU A 8 -6.504 5.169 0.026 1.00 0.00 C ATOM 0 H LEU A 8 -10.556 6.018 1.457 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.865 3.891 0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.468 5.490 2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.494 4.115 2.359 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.716 6.728 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.391 7.092 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.512 6.985 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.471 5.601 2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.838 5.851 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.936 4.309 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.289 4.830 -0.650 1.00 0.00 H new ATOM 131 N GLU A 9 -10.818 3.926 2.949 1.00 0.00 N ATOM 132 CA GLU A 9 -11.623 3.107 3.855 1.00 0.00 C ATOM 133 C GLU A 9 -10.747 2.204 4.723 1.00 0.00 C ATOM 134 O GLU A 9 -9.538 2.425 4.853 1.00 0.00 O ATOM 135 CB GLU A 9 -12.648 2.274 3.078 1.00 0.00 C ATOM 136 CG GLU A 9 -13.778 3.098 2.478 1.00 0.00 C ATOM 137 CD GLU A 9 -14.885 2.239 1.900 1.00 0.00 C ATOM 138 OE1 GLU A 9 -15.651 1.640 2.686 1.00 0.00 O ATOM 139 OE2 GLU A 9 -15.007 2.177 0.659 1.00 0.00 O ATOM 0 H GLU A 9 -10.908 4.929 3.112 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.161 3.787 4.516 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.136 1.739 2.278 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.072 1.523 3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.193 3.751 3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.377 3.742 1.695 1.00 0.00 H new ATOM 146 N VAL A 10 -11.365 1.209 5.346 1.00 0.00 N ATOM 147 CA VAL A 10 -10.639 0.277 6.191 1.00 0.00 C ATOM 148 C VAL A 10 -10.197 -0.932 5.378 1.00 0.00 C ATOM 149 O VAL A 10 -11.021 -1.731 4.926 1.00 0.00 O ATOM 150 CB VAL A 10 -11.487 -0.186 7.394 1.00 0.00 C ATOM 151 CG1 VAL A 10 -10.690 -1.128 8.285 1.00 0.00 C ATOM 152 CG2 VAL A 10 -11.981 1.012 8.191 1.00 0.00 C ATOM 0 H VAL A 10 -12.367 1.029 5.281 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.764 0.799 6.578 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.353 -0.728 7.013 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.307 -1.442 9.127 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.388 -2.003 7.710 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.804 -0.614 8.657 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.577 0.666 9.035 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.127 1.582 8.558 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.593 1.648 7.551 1.00 0.00 H new ATOM 162 N LEU A 11 -8.897 -1.044 5.173 1.00 0.00 N ATOM 163 CA LEU A 11 -8.341 -2.116 4.367 1.00 0.00 C ATOM 164 C LEU A 11 -7.845 -3.254 5.251 1.00 0.00 C ATOM 165 O LEU A 11 -7.034 -3.046 6.155 1.00 0.00 O ATOM 166 CB LEU A 11 -7.205 -1.580 3.493 1.00 0.00 C ATOM 167 CG LEU A 11 -7.608 -0.446 2.546 1.00 0.00 C ATOM 168 CD1 LEU A 11 -6.394 0.096 1.811 1.00 0.00 C ATOM 169 CD2 LEU A 11 -8.664 -0.922 1.559 1.00 0.00 C ATOM 0 H LEU A 11 -8.203 -0.402 5.556 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.126 -2.508 3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.402 -1.227 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.800 -2.402 2.902 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.035 0.361 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.702 0.901 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.673 0.479 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.935 -0.703 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.937 -0.102 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.266 -1.748 0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.547 -1.257 2.104 1.00 0.00 H new ATOM 181 N ALA A 12 -8.341 -4.451 4.988 1.00 0.00 N ATOM 182 CA ALA A 12 -7.971 -5.617 5.769 1.00 0.00 C ATOM 183 C ALA A 12 -7.316 -6.671 4.888 1.00 0.00 C ATOM 184 O ALA A 12 -7.338 -6.572 3.662 1.00 0.00 O ATOM 185 CB ALA A 12 -9.195 -6.192 6.472 1.00 0.00 C ATOM 0 H ALA A 12 -9.004 -4.640 4.236 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.248 -5.310 6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.903 -7.066 7.054 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.620 -5.439 7.136 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.938 -6.482 5.729 1.00 0.00 H new ATOM 191 N CYS A 13 -6.740 -7.679 5.522 1.00 0.00 N ATOM 192 CA CYS A 13 -6.030 -8.727 4.806 1.00 0.00 C ATOM 193 C CYS A 13 -6.976 -9.860 4.408 1.00 0.00 C ATOM 194 O CYS A 13 -7.870 -10.226 5.168 1.00 0.00 O ATOM 195 CB CYS A 13 -4.914 -9.279 5.685 1.00 0.00 C ATOM 196 SG CYS A 13 -3.872 -8.001 6.416 1.00 0.00 S ATOM 0 H CYS A 13 -6.750 -7.794 6.535 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.609 -8.297 3.897 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.354 -9.878 6.483 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.291 -9.948 5.090 1.00 0.00 H new ATOM 0 HG CYS A 13 -4.597 -7.228 7.169 1.00 0.00 H new ATOM 202 N PRO A 14 -6.778 -10.443 3.215 1.00 0.00 N ATOM 203 CA PRO A 14 -7.605 -11.557 2.728 1.00 0.00 C ATOM 204 C PRO A 14 -7.325 -12.868 3.466 1.00 0.00 C ATOM 205 O PRO A 14 -8.003 -13.870 3.248 1.00 0.00 O ATOM 206 CB PRO A 14 -7.203 -11.675 1.256 1.00 0.00 C ATOM 207 CG PRO A 14 -5.813 -11.142 1.201 1.00 0.00 C ATOM 208 CD PRO A 14 -5.749 -10.048 2.232 1.00 0.00 C ATOM 0 HA PRO A 14 -8.668 -11.371 2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.244 -12.710 0.916 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.873 -11.102 0.615 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.086 -11.925 1.417 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.582 -10.757 0.208 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.761 -9.983 2.688 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.963 -9.072 1.796 1.00 0.00 H new ATOM 216 N LYS A 15 -6.314 -12.857 4.331 1.00 0.00 N ATOM 217 CA LYS A 15 -5.950 -14.042 5.100 1.00 0.00 C ATOM 218 C LYS A 15 -6.654 -14.070 6.457 1.00 0.00 C ATOM 219 O LYS A 15 -7.538 -14.890 6.689 1.00 0.00 O ATOM 220 CB LYS A 15 -4.432 -14.111 5.296 1.00 0.00 C ATOM 221 CG LYS A 15 -3.674 -14.571 4.061 1.00 0.00 C ATOM 222 CD LYS A 15 -2.171 -14.572 4.298 1.00 0.00 C ATOM 223 CE LYS A 15 -1.416 -15.259 3.168 1.00 0.00 C ATOM 224 NZ LYS A 15 -1.611 -16.735 3.178 1.00 0.00 N ATOM 0 H LYS A 15 -5.733 -12.040 4.516 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.277 -14.913 4.532 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.068 -13.126 5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.212 -14.790 6.120 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.001 -15.574 3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.911 -13.916 3.222 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.819 -13.545 4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.953 -15.077 5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.751 -14.856 2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.353 -15.034 3.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.952 -17.177 2.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.429 -17.103 4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.589 -16.958 2.902 1.00 0.00 H new ATOM 238 N ASP A 16 -6.261 -13.169 7.351 1.00 0.00 N ATOM 239 CA ASP A 16 -6.802 -13.161 8.711 1.00 0.00 C ATOM 240 C ASP A 16 -7.492 -11.829 9.014 1.00 0.00 C ATOM 241 O ASP A 16 -7.827 -11.531 10.161 1.00 0.00 O ATOM 242 CB ASP A 16 -5.675 -13.435 9.720 1.00 0.00 C ATOM 243 CG ASP A 16 -6.180 -13.695 11.129 1.00 0.00 C ATOM 244 OD1 ASP A 16 -7.269 -14.283 11.277 1.00 0.00 O ATOM 245 OD2 ASP A 16 -5.481 -13.319 12.095 1.00 0.00 O ATOM 0 H ASP A 16 -5.575 -12.438 7.163 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.550 -13.949 8.797 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.097 -14.296 9.384 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.996 -12.582 9.736 1.00 0.00 H new ATOM 250 N LYS A 17 -7.710 -11.038 7.960 1.00 0.00 N ATOM 251 CA LYS A 17 -8.341 -9.719 8.076 1.00 0.00 C ATOM 252 C LYS A 17 -7.662 -8.856 9.139 1.00 0.00 C ATOM 253 O LYS A 17 -8.304 -8.043 9.809 1.00 0.00 O ATOM 254 CB LYS A 17 -9.841 -9.861 8.354 1.00 0.00 C ATOM 255 CG LYS A 17 -10.626 -10.322 7.136 1.00 0.00 C ATOM 256 CD LYS A 17 -12.125 -10.304 7.381 1.00 0.00 C ATOM 257 CE LYS A 17 -12.894 -10.563 6.093 1.00 0.00 C ATOM 258 NZ LYS A 17 -14.367 -10.531 6.298 1.00 0.00 N ATOM 0 H LYS A 17 -7.455 -11.292 7.005 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.216 -9.208 7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.989 -10.572 9.166 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.235 -8.903 8.693 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.390 -9.678 6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.315 -11.331 6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.385 -11.060 8.122 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.417 -9.339 7.795 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.617 -9.815 5.350 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.607 -11.534 5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.847 -10.713 5.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.638 -11.262 6.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -14.647 -9.596 6.657 1.00 0.00 H new ATOM 272 N GLY A 18 -6.351 -9.023 9.256 1.00 0.00 N ATOM 273 CA GLY A 18 -5.578 -8.231 10.186 1.00 0.00 C ATOM 274 C GLY A 18 -5.343 -6.826 9.666 1.00 0.00 C ATOM 275 O GLY A 18 -5.562 -6.562 8.480 1.00 0.00 O ATOM 0 H GLY A 18 -5.808 -9.699 8.718 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.098 -8.183 11.143 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.619 -8.717 10.368 1.00 0.00 H new ATOM 279 N PRO A 19 -4.893 -5.909 10.531 1.00 0.00 N ATOM 280 CA PRO A 19 -4.681 -4.502 10.173 1.00 0.00 C ATOM 281 C PRO A 19 -3.514 -4.307 9.206 1.00 0.00 C ATOM 282 O PRO A 19 -2.496 -5.003 9.285 1.00 0.00 O ATOM 283 CB PRO A 19 -4.376 -3.818 11.516 1.00 0.00 C ATOM 284 CG PRO A 19 -4.728 -4.817 12.568 1.00 0.00 C ATOM 285 CD PRO A 19 -4.555 -6.164 11.936 1.00 0.00 C ATOM 0 HA PRO A 19 -5.550 -4.091 9.658 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.326 -3.535 11.581 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.960 -2.905 11.632 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.082 -4.709 13.439 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.753 -4.676 12.912 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.536 -6.535 12.046 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.215 -6.908 12.382 1.00 0.00 H new ATOM 293 N LEU A 20 -3.679 -3.357 8.294 1.00 0.00 N ATOM 294 CA LEU A 20 -2.641 -3.003 7.336 1.00 0.00 C ATOM 295 C LEU A 20 -2.166 -1.578 7.583 1.00 0.00 C ATOM 296 O LEU A 20 -2.980 -0.661 7.712 1.00 0.00 O ATOM 297 CB LEU A 20 -3.175 -3.130 5.906 1.00 0.00 C ATOM 298 CG LEU A 20 -3.448 -4.556 5.433 1.00 0.00 C ATOM 299 CD1 LEU A 20 -4.183 -4.546 4.099 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.140 -5.321 5.309 1.00 0.00 C ATOM 0 H LEU A 20 -4.535 -2.811 8.198 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.801 -3.686 7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.099 -2.557 5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.457 -2.671 5.226 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.080 -5.053 6.169 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.369 -5.571 3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.133 -4.023 4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.574 -4.037 3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.343 -6.337 4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.493 -4.821 4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.644 -5.354 6.279 1.00 0.00 H new ATOM 312 N ARG A 21 -0.857 -1.391 7.672 1.00 0.00 N ATOM 313 CA ARG A 21 -0.298 -0.058 7.839 1.00 0.00 C ATOM 314 C ARG A 21 0.054 0.526 6.475 1.00 0.00 C ATOM 315 O ARG A 21 0.655 -0.151 5.638 1.00 0.00 O ATOM 316 CB ARG A 21 0.932 -0.090 8.753 1.00 0.00 C ATOM 317 CG ARG A 21 1.369 1.293 9.221 1.00 0.00 C ATOM 318 CD ARG A 21 2.580 1.241 10.141 1.00 0.00 C ATOM 319 NE ARG A 21 2.343 0.440 11.347 1.00 0.00 N ATOM 320 CZ ARG A 21 1.990 0.947 12.534 1.00 0.00 C ATOM 321 NH1 ARG A 21 1.747 2.246 12.676 1.00 0.00 N ATOM 322 NH2 ARG A 21 1.868 0.147 13.584 1.00 0.00 N ATOM 0 H ARG A 21 -0.166 -2.140 7.632 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.044 0.579 8.314 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.714 -0.709 9.623 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.758 -0.565 8.223 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.602 1.910 8.353 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.542 1.775 9.742 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.428 0.826 9.595 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.854 2.255 10.432 1.00 0.00 H new ATOM 0 HE ARG A 21 2.455 -0.571 11.276 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.829 2.871 11.874 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.479 2.618 13.587 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.043 -0.853 13.486 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.599 0.532 14.490 1.00 0.00 H new ATOM 336 N TYR A 22 -0.333 1.772 6.254 1.00 0.00 N ATOM 337 CA TYR A 22 -0.159 2.414 4.958 1.00 0.00 C ATOM 338 C TYR A 22 1.159 3.179 4.883 1.00 0.00 C ATOM 339 O TYR A 22 1.426 4.068 5.692 1.00 0.00 O ATOM 340 CB TYR A 22 -1.343 3.350 4.676 1.00 0.00 C ATOM 341 CG TYR A 22 -1.151 4.274 3.491 1.00 0.00 C ATOM 342 CD1 TYR A 22 -0.987 3.775 2.203 1.00 0.00 C ATOM 343 CD2 TYR A 22 -1.143 5.652 3.666 1.00 0.00 C ATOM 344 CE1 TYR A 22 -0.823 4.627 1.126 1.00 0.00 C ATOM 345 CE2 TYR A 22 -0.979 6.507 2.596 1.00 0.00 C ATOM 346 CZ TYR A 22 -0.816 5.992 1.329 1.00 0.00 C ATOM 347 OH TYR A 22 -0.658 6.848 0.261 1.00 0.00 O ATOM 0 H TYR A 22 -0.773 2.363 6.959 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.128 1.636 4.195 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.234 2.746 4.507 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.531 3.954 5.564 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.988 2.707 2.042 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.267 6.061 4.658 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.701 4.226 0.131 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.978 7.576 2.751 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.677 7.775 0.579 1.00 0.00 H new ATOM 357 N LEU A 23 1.980 2.818 3.908 1.00 0.00 N ATOM 358 CA LEU A 23 3.220 3.531 3.637 1.00 0.00 C ATOM 359 C LEU A 23 3.068 4.378 2.380 1.00 0.00 C ATOM 360 O LEU A 23 2.627 3.887 1.339 1.00 0.00 O ATOM 361 CB LEU A 23 4.395 2.558 3.485 1.00 0.00 C ATOM 362 CG LEU A 23 5.007 2.045 4.798 1.00 0.00 C ATOM 363 CD1 LEU A 23 4.026 1.172 5.569 1.00 0.00 C ATOM 364 CD2 LEU A 23 6.291 1.279 4.520 1.00 0.00 C ATOM 0 H LEU A 23 1.808 2.028 3.286 1.00 0.00 H new ATOM 0 HA LEU A 23 3.432 4.183 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.060 1.700 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.178 3.050 2.908 1.00 0.00 H new ATOM 0 HG LEU A 23 5.238 2.912 5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.493 0.827 6.492 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.134 1.751 5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.748 0.312 4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.712 0.922 5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.075 0.429 3.873 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.007 1.936 4.028 1.00 0.00 H new ATOM 376 N GLU A 24 3.446 5.643 2.484 1.00 0.00 N ATOM 377 CA GLU A 24 3.238 6.606 1.406 1.00 0.00 C ATOM 378 C GLU A 24 4.299 6.485 0.316 1.00 0.00 C ATOM 379 O GLU A 24 4.200 7.136 -0.723 1.00 0.00 O ATOM 380 CB GLU A 24 3.251 8.027 1.961 1.00 0.00 C ATOM 381 CG GLU A 24 2.263 8.255 3.089 1.00 0.00 C ATOM 382 CD GLU A 24 2.195 9.709 3.503 1.00 0.00 C ATOM 383 OE1 GLU A 24 3.168 10.207 4.104 1.00 0.00 O ATOM 384 OE2 GLU A 24 1.168 10.363 3.227 1.00 0.00 O ATOM 0 H GLU A 24 3.902 6.032 3.309 1.00 0.00 H new ATOM 0 HA GLU A 24 2.268 6.385 0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.255 8.258 2.318 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.032 8.724 1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.274 7.921 2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.548 7.647 3.948 1.00 0.00 H new ATOM 391 N SER A 25 5.312 5.665 0.565 1.00 0.00 N ATOM 392 CA SER A 25 6.433 5.498 -0.359 1.00 0.00 C ATOM 393 C SER A 25 5.968 5.190 -1.785 1.00 0.00 C ATOM 394 O SER A 25 6.294 5.919 -2.719 1.00 0.00 O ATOM 395 CB SER A 25 7.350 4.389 0.150 1.00 0.00 C ATOM 396 OG SER A 25 7.671 4.599 1.514 1.00 0.00 O ATOM 0 H SER A 25 5.382 5.097 1.410 1.00 0.00 H new ATOM 0 HA SER A 25 6.978 6.441 -0.398 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.862 3.422 0.030 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.263 4.362 -0.445 1.00 0.00 H new ATOM 0 HG SER A 25 8.258 3.879 1.827 1.00 0.00 H new ATOM 402 N GLU A 26 5.208 4.111 -1.947 1.00 0.00 N ATOM 403 CA GLU A 26 4.673 3.738 -3.255 1.00 0.00 C ATOM 404 C GLU A 26 3.211 3.333 -3.126 1.00 0.00 C ATOM 405 O GLU A 26 2.683 2.619 -3.976 1.00 0.00 O ATOM 406 CB GLU A 26 5.458 2.568 -3.865 1.00 0.00 C ATOM 407 CG GLU A 26 6.949 2.813 -4.015 1.00 0.00 C ATOM 408 CD GLU A 26 7.607 1.798 -4.928 1.00 0.00 C ATOM 409 OE1 GLU A 26 7.398 0.583 -4.732 1.00 0.00 O ATOM 410 OE2 GLU A 26 8.330 2.211 -5.856 1.00 0.00 O ATOM 0 H GLU A 26 4.948 3.479 -1.190 1.00 0.00 H new ATOM 0 HA GLU A 26 4.766 4.605 -3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.310 1.685 -3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.041 2.341 -4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.113 3.815 -4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.422 2.777 -3.034 1.00 0.00 H new ATOM 417 N GLN A 27 2.566 3.822 -2.066 1.00 0.00 N ATOM 418 CA GLN A 27 1.228 3.370 -1.691 1.00 0.00 C ATOM 419 C GLN A 27 1.272 1.881 -1.382 1.00 0.00 C ATOM 420 O GLN A 27 0.862 1.044 -2.185 1.00 0.00 O ATOM 421 CB GLN A 27 0.186 3.669 -2.785 1.00 0.00 C ATOM 422 CG GLN A 27 -0.274 5.125 -2.856 1.00 0.00 C ATOM 423 CD GLN A 27 0.858 6.111 -3.080 1.00 0.00 C ATOM 424 OE1 GLN A 27 1.246 6.387 -4.214 1.00 0.00 O ATOM 425 NE2 GLN A 27 1.366 6.679 -1.996 1.00 0.00 N ATOM 0 H GLN A 27 2.953 4.536 -1.449 1.00 0.00 H new ATOM 0 HA GLN A 27 0.917 3.922 -0.804 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.605 3.388 -3.751 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.685 3.036 -2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.000 5.229 -3.663 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.789 5.380 -1.930 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.015 6.421 -1.073 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.108 7.374 -2.084 1.00 0.00 H new ATOM 434 N LEU A 28 1.811 1.557 -0.221 1.00 0.00 N ATOM 435 CA LEU A 28 2.023 0.172 0.153 1.00 0.00 C ATOM 436 C LEU A 28 1.286 -0.158 1.437 1.00 0.00 C ATOM 437 O LEU A 28 1.172 0.680 2.332 1.00 0.00 O ATOM 438 CB LEU A 28 3.519 -0.114 0.322 1.00 0.00 C ATOM 439 CG LEU A 28 4.369 0.099 -0.931 1.00 0.00 C ATOM 440 CD1 LEU A 28 5.840 -0.094 -0.608 1.00 0.00 C ATOM 441 CD2 LEU A 28 3.939 -0.852 -2.042 1.00 0.00 C ATOM 0 H LEU A 28 2.110 2.235 0.480 1.00 0.00 H new ATOM 0 HA LEU A 28 1.630 -0.457 -0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.907 0.523 1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.640 -1.146 0.653 1.00 0.00 H new ATOM 0 HG LEU A 28 4.219 1.121 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.434 0.061 -1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.143 0.625 0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.001 -1.106 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.557 -0.684 -2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.059 -1.882 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.893 -0.671 -2.291 1.00 0.00 H new ATOM 453 N LEU A 29 0.780 -1.374 1.513 1.00 0.00 N ATOM 454 CA LEU A 29 0.126 -1.861 2.715 1.00 0.00 C ATOM 455 C LEU A 29 0.980 -2.938 3.363 1.00 0.00 C ATOM 456 O LEU A 29 1.283 -3.957 2.745 1.00 0.00 O ATOM 457 CB LEU A 29 -1.257 -2.426 2.387 1.00 0.00 C ATOM 458 CG LEU A 29 -2.268 -1.412 1.853 1.00 0.00 C ATOM 459 CD1 LEU A 29 -3.541 -2.115 1.406 1.00 0.00 C ATOM 460 CD2 LEU A 29 -2.578 -0.364 2.911 1.00 0.00 C ATOM 0 H LEU A 29 0.810 -2.049 0.749 1.00 0.00 H new ATOM 0 HA LEU A 29 0.005 -1.027 3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.141 -3.221 1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.667 -2.883 3.287 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.832 -0.910 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.250 -1.378 1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.305 -2.829 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.982 -2.642 2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.299 0.351 2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.995 -0.850 3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.662 0.159 3.184 1.00 0.00 H new ATOM 472 N VAL A 30 1.369 -2.716 4.604 1.00 0.00 N ATOM 473 CA VAL A 30 2.204 -3.670 5.311 1.00 0.00 C ATOM 474 C VAL A 30 1.408 -4.366 6.404 1.00 0.00 C ATOM 475 O VAL A 30 0.858 -3.722 7.303 1.00 0.00 O ATOM 476 CB VAL A 30 3.446 -2.994 5.928 1.00 0.00 C ATOM 477 CG1 VAL A 30 4.294 -4.011 6.681 1.00 0.00 C ATOM 478 CG2 VAL A 30 4.272 -2.315 4.846 1.00 0.00 C ATOM 0 H VAL A 30 1.121 -1.886 5.143 1.00 0.00 H new ATOM 0 HA VAL A 30 2.543 -4.406 4.582 1.00 0.00 H new ATOM 0 HB VAL A 30 3.108 -2.237 6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.165 -3.514 7.108 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.702 -4.457 7.480 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.622 -4.791 5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.145 -1.843 5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.597 -3.057 4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.667 -1.558 4.348 1.00 0.00 H new ATOM 488 N ASN A 31 1.331 -5.683 6.297 1.00 0.00 N ATOM 489 CA ASN A 31 0.660 -6.499 7.292 1.00 0.00 C ATOM 490 C ASN A 31 1.567 -6.680 8.503 1.00 0.00 C ATOM 491 O ASN A 31 2.632 -7.288 8.409 1.00 0.00 O ATOM 492 CB ASN A 31 0.281 -7.862 6.694 1.00 0.00 C ATOM 493 CG ASN A 31 -0.238 -8.832 7.736 1.00 0.00 C ATOM 494 OD1 ASN A 31 0.533 -9.553 8.352 1.00 0.00 O ATOM 495 ND2 ASN A 31 -1.541 -8.874 7.937 1.00 0.00 N ATOM 0 H ASN A 31 1.730 -6.213 5.522 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.255 -5.998 7.608 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.479 -7.719 5.926 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.153 -8.294 6.203 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.931 -9.521 8.622 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.159 -8.259 7.407 1.00 0.00 H new ATOM 502 N GLU A 32 1.127 -6.161 9.637 1.00 0.00 N ATOM 503 CA GLU A 32 1.943 -6.132 10.843 1.00 0.00 C ATOM 504 C GLU A 32 1.700 -7.383 11.693 1.00 0.00 C ATOM 505 O GLU A 32 1.890 -7.384 12.906 1.00 0.00 O ATOM 506 CB GLU A 32 1.621 -4.856 11.627 1.00 0.00 C ATOM 507 CG GLU A 32 2.714 -4.420 12.587 1.00 0.00 C ATOM 508 CD GLU A 32 2.513 -2.998 13.066 1.00 0.00 C ATOM 509 OE1 GLU A 32 2.995 -2.067 12.385 1.00 0.00 O ATOM 510 OE2 GLU A 32 1.854 -2.801 14.108 1.00 0.00 O ATOM 0 H GLU A 32 0.200 -5.750 9.749 1.00 0.00 H new ATOM 0 HA GLU A 32 2.999 -6.128 10.572 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.430 -4.048 10.921 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.700 -5.012 12.189 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.733 -5.092 13.445 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.683 -4.503 12.095 1.00 0.00 H new ATOM 517 N ARG A 33 1.281 -8.453 11.031 1.00 0.00 N ATOM 518 CA ARG A 33 1.011 -9.723 11.696 1.00 0.00 C ATOM 519 C ARG A 33 1.965 -10.809 11.215 1.00 0.00 C ATOM 520 O ARG A 33 2.705 -11.403 11.997 1.00 0.00 O ATOM 521 CB ARG A 33 -0.426 -10.155 11.414 1.00 0.00 C ATOM 522 CG ARG A 33 -1.449 -9.594 12.382 1.00 0.00 C ATOM 523 CD ARG A 33 -1.348 -10.274 13.737 1.00 0.00 C ATOM 524 NE ARG A 33 -2.566 -10.101 14.523 1.00 0.00 N ATOM 525 CZ ARG A 33 -3.661 -10.852 14.369 1.00 0.00 C ATOM 526 NH1 ARG A 33 -3.686 -11.820 13.458 1.00 0.00 N ATOM 527 NH2 ARG A 33 -4.724 -10.642 15.136 1.00 0.00 N ATOM 0 H ARG A 33 1.119 -8.467 10.024 1.00 0.00 H new ATOM 0 HA ARG A 33 1.156 -9.583 12.767 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -0.693 -9.848 10.403 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.477 -11.243 11.440 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.295 -8.521 12.497 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -2.452 -9.731 11.977 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.154 -11.337 13.596 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.500 -9.865 14.286 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.582 -9.366 15.230 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.868 -11.992 12.874 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.523 -12.391 13.343 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.705 -9.907 15.843 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.559 -11.215 15.018 1.00 0.00 H new ATOM 541 N LEU A 34 1.928 -11.060 9.920 1.00 0.00 N ATOM 542 CA LEU A 34 2.728 -12.101 9.299 1.00 0.00 C ATOM 543 C LEU A 34 3.955 -11.488 8.639 1.00 0.00 C ATOM 544 O LEU A 34 4.829 -12.202 8.146 1.00 0.00 O ATOM 545 CB LEU A 34 1.883 -12.825 8.249 1.00 0.00 C ATOM 546 CG LEU A 34 0.526 -13.326 8.746 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.391 -13.625 7.570 1.00 0.00 C ATOM 548 CD2 LEU A 34 0.699 -14.560 9.616 1.00 0.00 C ATOM 0 H LEU A 34 1.339 -10.545 9.265 1.00 0.00 H new ATOM 0 HA LEU A 34 3.054 -12.811 10.059 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.719 -12.151 7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.451 -13.675 7.870 1.00 0.00 H new ATOM 0 HG LEU A 34 0.068 -12.543 9.350 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.353 -13.981 7.940 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.540 -12.717 6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.062 -14.392 6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.277 -14.902 9.960 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.177 -15.350 9.036 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.322 -14.314 10.476 1.00 0.00 H new ATOM 560 N ASN A 35 3.992 -10.153 8.638 1.00 0.00 N ATOM 561 CA ASN A 35 5.069 -9.380 8.021 1.00 0.00 C ATOM 562 C ASN A 35 5.079 -9.601 6.507 1.00 0.00 C ATOM 563 O ASN A 35 5.986 -10.222 5.946 1.00 0.00 O ATOM 564 CB ASN A 35 6.426 -9.735 8.651 1.00 0.00 C ATOM 565 CG ASN A 35 7.550 -8.819 8.207 1.00 0.00 C ATOM 566 OD1 ASN A 35 7.773 -7.761 8.789 1.00 0.00 O ATOM 567 ND2 ASN A 35 8.276 -9.234 7.187 1.00 0.00 N ATOM 0 H ASN A 35 3.270 -9.576 9.069 1.00 0.00 H new ATOM 0 HA ASN A 35 4.890 -8.321 8.206 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.338 -9.691 9.737 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.681 -10.763 8.393 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.057 -8.669 6.854 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.056 -10.120 6.732 1.00 0.00 H new ATOM 574 N LEU A 36 4.030 -9.113 5.856 1.00 0.00 N ATOM 575 CA LEU A 36 3.879 -9.236 4.411 1.00 0.00 C ATOM 576 C LEU A 36 3.424 -7.902 3.831 1.00 0.00 C ATOM 577 O LEU A 36 2.904 -7.056 4.557 1.00 0.00 O ATOM 578 CB LEU A 36 2.863 -10.332 4.063 1.00 0.00 C ATOM 579 CG LEU A 36 3.259 -11.754 4.474 1.00 0.00 C ATOM 580 CD1 LEU A 36 2.129 -12.726 4.167 1.00 0.00 C ATOM 581 CD2 LEU A 36 4.534 -12.183 3.760 1.00 0.00 C ATOM 0 H LEU A 36 3.262 -8.622 6.313 1.00 0.00 H new ATOM 0 HA LEU A 36 4.842 -9.512 3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.913 -10.087 4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.694 -10.318 2.986 1.00 0.00 H new ATOM 0 HG LEU A 36 3.446 -11.763 5.548 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.424 -13.732 4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.236 -12.432 4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.916 -12.711 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.799 -13.195 4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.373 -12.159 2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.344 -11.502 4.021 1.00 0.00 H new ATOM 593 N ALA A 37 3.606 -7.715 2.534 1.00 0.00 N ATOM 594 CA ALA A 37 3.269 -6.450 1.902 1.00 0.00 C ATOM 595 C ALA A 37 2.264 -6.634 0.777 1.00 0.00 C ATOM 596 O ALA A 37 2.357 -7.578 -0.014 1.00 0.00 O ATOM 597 CB ALA A 37 4.522 -5.770 1.370 1.00 0.00 C ATOM 0 H ALA A 37 3.984 -8.420 1.901 1.00 0.00 H new ATOM 0 HA ALA A 37 2.811 -5.818 2.663 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.251 -4.824 0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.211 -5.582 2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.002 -6.416 0.635 1.00 0.00 H new ATOM 603 N TYR A 38 1.302 -5.726 0.731 1.00 0.00 N ATOM 604 CA TYR A 38 0.332 -5.670 -0.346 1.00 0.00 C ATOM 605 C TYR A 38 0.520 -4.371 -1.120 1.00 0.00 C ATOM 606 O TYR A 38 0.867 -3.339 -0.544 1.00 0.00 O ATOM 607 CB TYR A 38 -1.098 -5.768 0.197 1.00 0.00 C ATOM 608 CG TYR A 38 -1.430 -7.112 0.803 1.00 0.00 C ATOM 609 CD1 TYR A 38 -1.800 -8.181 -0.003 1.00 0.00 C ATOM 610 CD2 TYR A 38 -1.383 -7.311 2.178 1.00 0.00 C ATOM 611 CE1 TYR A 38 -2.110 -9.411 0.545 1.00 0.00 C ATOM 612 CE2 TYR A 38 -1.691 -8.539 2.732 1.00 0.00 C ATOM 613 CZ TYR A 38 -2.055 -9.583 1.911 1.00 0.00 C ATOM 614 OH TYR A 38 -2.366 -10.807 2.457 1.00 0.00 O ATOM 0 H TYR A 38 1.173 -5.006 1.442 1.00 0.00 H new ATOM 0 HA TYR A 38 0.491 -6.518 -1.012 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.244 -4.994 0.951 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.799 -5.562 -0.612 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.846 -8.049 -1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.101 -6.493 2.824 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.394 -10.234 -0.094 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.647 -8.679 3.802 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.277 -10.762 3.432 1.00 0.00 H new ATOM 624 N ARG A 39 0.297 -4.427 -2.418 1.00 0.00 N ATOM 625 CA ARG A 39 0.570 -3.293 -3.289 1.00 0.00 C ATOM 626 C ARG A 39 -0.720 -2.550 -3.613 1.00 0.00 C ATOM 627 O ARG A 39 -1.764 -3.167 -3.802 1.00 0.00 O ATOM 628 CB ARG A 39 1.233 -3.793 -4.575 1.00 0.00 C ATOM 629 CG ARG A 39 2.354 -4.785 -4.315 1.00 0.00 C ATOM 630 CD ARG A 39 2.821 -5.468 -5.588 1.00 0.00 C ATOM 631 NE ARG A 39 3.621 -6.656 -5.287 1.00 0.00 N ATOM 632 CZ ARG A 39 3.929 -7.598 -6.176 1.00 0.00 C ATOM 633 NH1 ARG A 39 3.585 -7.463 -7.451 1.00 0.00 N ATOM 634 NH2 ARG A 39 4.606 -8.673 -5.795 1.00 0.00 N ATOM 0 H ARG A 39 -0.074 -5.247 -2.898 1.00 0.00 H new ATOM 0 HA ARG A 39 1.242 -2.602 -2.781 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.479 -4.262 -5.208 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.629 -2.942 -5.128 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.195 -4.268 -3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.013 -5.538 -3.604 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.958 -5.751 -6.190 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.410 -4.770 -6.183 1.00 0.00 H new ATOM 0 HE ARG A 39 3.965 -6.770 -4.334 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.080 -6.632 -7.758 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.826 -8.191 -8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.891 -8.778 -4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.842 -9.395 -6.476 1.00 0.00 H new ATOM 648 N ILE A 40 -0.655 -1.230 -3.652 1.00 0.00 N ATOM 649 CA ILE A 40 -1.814 -0.427 -4.013 1.00 0.00 C ATOM 650 C ILE A 40 -1.635 0.151 -5.410 1.00 0.00 C ATOM 651 O ILE A 40 -0.667 0.863 -5.676 1.00 0.00 O ATOM 652 CB ILE A 40 -2.055 0.716 -3.005 1.00 0.00 C ATOM 653 CG1 ILE A 40 -2.281 0.146 -1.603 1.00 0.00 C ATOM 654 CG2 ILE A 40 -3.247 1.560 -3.431 1.00 0.00 C ATOM 655 CD1 ILE A 40 -2.465 1.206 -0.542 1.00 0.00 C ATOM 0 H ILE A 40 0.185 -0.692 -3.439 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.686 -1.081 -3.994 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.171 1.353 -2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.161 -0.497 -1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.432 -0.482 -1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.402 2.361 -2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.056 1.990 -4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.138 0.934 -3.476 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.620 0.729 0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.576 1.835 -0.498 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.332 1.820 -0.787 1.00 0.00 H new ATOM 667 N ASP A 41 -2.565 -0.162 -6.302 1.00 0.00 N ATOM 668 CA ASP A 41 -2.489 0.306 -7.680 1.00 0.00 C ATOM 669 C ASP A 41 -3.259 1.611 -7.848 1.00 0.00 C ATOM 670 O ASP A 41 -4.479 1.606 -8.017 1.00 0.00 O ATOM 671 CB ASP A 41 -3.034 -0.753 -8.644 1.00 0.00 C ATOM 672 CG ASP A 41 -2.849 -0.372 -10.102 1.00 0.00 C ATOM 673 OD1 ASP A 41 -1.758 -0.626 -10.653 1.00 0.00 O ATOM 674 OD2 ASP A 41 -3.790 0.176 -10.709 1.00 0.00 O ATOM 0 H ASP A 41 -3.381 -0.738 -6.096 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.440 0.486 -7.917 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.533 -1.702 -8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.095 -0.907 -8.445 1.00 0.00 H new ATOM 679 N ASP A 42 -2.531 2.723 -7.737 1.00 0.00 N ATOM 680 CA ASP A 42 -3.069 4.073 -7.971 1.00 0.00 C ATOM 681 C ASP A 42 -4.247 4.408 -7.044 1.00 0.00 C ATOM 682 O ASP A 42 -4.989 5.360 -7.278 1.00 0.00 O ATOM 683 CB ASP A 42 -3.476 4.217 -9.441 1.00 0.00 C ATOM 684 CG ASP A 42 -3.691 5.659 -9.854 1.00 0.00 C ATOM 685 OD1 ASP A 42 -2.723 6.453 -9.799 1.00 0.00 O ATOM 686 OD2 ASP A 42 -4.822 6.006 -10.249 1.00 0.00 O ATOM 0 H ASP A 42 -1.544 2.717 -7.481 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.280 4.788 -7.738 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.705 3.775 -10.071 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.392 3.654 -9.616 1.00 0.00 H new ATOM 691 N GLY A 43 -4.400 3.641 -5.978 1.00 0.00 N ATOM 692 CA GLY A 43 -5.485 3.890 -5.048 1.00 0.00 C ATOM 693 C GLY A 43 -6.327 2.658 -4.790 1.00 0.00 C ATOM 694 O GLY A 43 -7.082 2.608 -3.820 1.00 0.00 O ATOM 0 H GLY A 43 -3.797 2.854 -5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.074 4.249 -4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.120 4.684 -5.441 1.00 0.00 H new ATOM 698 N ILE A 44 -6.186 1.660 -5.648 1.00 0.00 N ATOM 699 CA ILE A 44 -6.919 0.415 -5.490 1.00 0.00 C ATOM 700 C ILE A 44 -5.969 -0.680 -5.023 1.00 0.00 C ATOM 701 O ILE A 44 -5.039 -1.050 -5.734 1.00 0.00 O ATOM 702 CB ILE A 44 -7.614 -0.032 -6.804 1.00 0.00 C ATOM 703 CG1 ILE A 44 -8.690 0.973 -7.238 1.00 0.00 C ATOM 704 CG2 ILE A 44 -8.230 -1.414 -6.640 1.00 0.00 C ATOM 705 CD1 ILE A 44 -8.147 2.224 -7.898 1.00 0.00 C ATOM 0 H ILE A 44 -5.571 1.688 -6.461 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.698 0.587 -4.747 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.852 -0.072 -7.582 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.373 0.480 -7.929 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.274 1.262 -6.364 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.713 -1.710 -7.571 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.450 -2.133 -6.391 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.970 -1.390 -5.840 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.974 2.879 -8.173 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.487 2.745 -7.204 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.588 1.950 -8.793 1.00 0.00 H new ATOM 717 N PRO A 45 -6.179 -1.189 -3.806 1.00 0.00 N ATOM 718 CA PRO A 45 -5.317 -2.209 -3.209 1.00 0.00 C ATOM 719 C PRO A 45 -5.391 -3.537 -3.946 1.00 0.00 C ATOM 720 O PRO A 45 -6.479 -4.067 -4.187 1.00 0.00 O ATOM 721 CB PRO A 45 -5.860 -2.369 -1.784 1.00 0.00 C ATOM 722 CG PRO A 45 -6.747 -1.192 -1.561 1.00 0.00 C ATOM 723 CD PRO A 45 -7.279 -0.815 -2.908 1.00 0.00 C ATOM 0 HA PRO A 45 -4.269 -1.913 -3.248 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.412 -3.303 -1.677 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.049 -2.393 -1.056 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.558 -1.439 -0.876 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.194 -0.366 -1.115 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.197 -1.353 -3.146 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.508 0.249 -2.970 1.00 0.00 H new ATOM 731 N VAL A 46 -4.233 -4.067 -4.304 1.00 0.00 N ATOM 732 CA VAL A 46 -4.148 -5.373 -4.931 1.00 0.00 C ATOM 733 C VAL A 46 -4.088 -6.446 -3.853 1.00 0.00 C ATOM 734 O VAL A 46 -3.009 -6.867 -3.426 1.00 0.00 O ATOM 735 CB VAL A 46 -2.914 -5.484 -5.854 1.00 0.00 C ATOM 736 CG1 VAL A 46 -2.878 -6.829 -6.566 1.00 0.00 C ATOM 737 CG2 VAL A 46 -2.898 -4.343 -6.859 1.00 0.00 C ATOM 0 H VAL A 46 -3.333 -3.607 -4.169 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.035 -5.513 -5.549 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.021 -5.412 -5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.999 -6.877 -7.208 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.833 -7.630 -5.828 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.777 -6.944 -7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.022 -4.436 -7.501 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.801 -4.382 -7.468 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.859 -3.392 -6.329 1.00 0.00 H new ATOM 747 N LEU A 47 -5.256 -6.848 -3.381 1.00 0.00 N ATOM 748 CA LEU A 47 -5.345 -7.826 -2.314 1.00 0.00 C ATOM 749 C LEU A 47 -5.419 -9.236 -2.878 1.00 0.00 C ATOM 750 O LEU A 47 -6.492 -9.832 -2.967 1.00 0.00 O ATOM 751 CB LEU A 47 -6.553 -7.545 -1.412 1.00 0.00 C ATOM 752 CG LEU A 47 -6.528 -6.193 -0.692 1.00 0.00 C ATOM 753 CD1 LEU A 47 -7.799 -5.993 0.118 1.00 0.00 C ATOM 754 CD2 LEU A 47 -5.305 -6.088 0.206 1.00 0.00 C ATOM 0 H LEU A 47 -6.156 -6.511 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.442 -7.745 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.458 -7.600 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.620 -8.336 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.472 -5.407 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.761 -5.027 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.662 -6.022 -0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.886 -6.786 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.305 -5.121 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.331 -6.884 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.402 -6.184 -0.397 1.00 0.00 H new ATOM 766 N LEU A 48 -4.271 -9.747 -3.289 1.00 0.00 N ATOM 767 CA LEU A 48 -4.175 -11.107 -3.786 1.00 0.00 C ATOM 768 C LEU A 48 -3.271 -11.917 -2.873 1.00 0.00 C ATOM 769 O LEU A 48 -2.239 -11.425 -2.417 1.00 0.00 O ATOM 770 CB LEU A 48 -3.629 -11.126 -5.218 1.00 0.00 C ATOM 771 CG LEU A 48 -4.481 -10.390 -6.254 1.00 0.00 C ATOM 772 CD1 LEU A 48 -3.815 -10.442 -7.620 1.00 0.00 C ATOM 773 CD2 LEU A 48 -5.881 -10.987 -6.325 1.00 0.00 C ATOM 0 H LEU A 48 -3.388 -9.236 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.172 -11.548 -3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.631 -10.687 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.519 -12.164 -5.533 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.568 -9.348 -5.946 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.433 -9.914 -8.346 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.835 -9.968 -7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.699 -11.481 -7.929 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.469 -10.448 -7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.815 -12.038 -6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.362 -10.903 -5.351 1.00 0.00 H new ATOM 785 N ILE A 49 -3.659 -13.155 -2.614 1.00 0.00 N ATOM 786 CA ILE A 49 -2.909 -14.017 -1.713 1.00 0.00 C ATOM 787 C ILE A 49 -1.618 -14.481 -2.381 1.00 0.00 C ATOM 788 O ILE A 49 -0.589 -14.645 -1.727 1.00 0.00 O ATOM 789 CB ILE A 49 -3.756 -15.239 -1.281 1.00 0.00 C ATOM 790 CG1 ILE A 49 -5.091 -14.767 -0.688 1.00 0.00 C ATOM 791 CG2 ILE A 49 -2.996 -16.095 -0.278 1.00 0.00 C ATOM 792 CD1 ILE A 49 -6.024 -15.898 -0.316 1.00 0.00 C ATOM 0 H ILE A 49 -4.491 -13.587 -3.016 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.661 -13.442 -0.821 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.959 -15.852 -2.160 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.892 -14.165 0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.589 -14.118 -1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.610 -16.948 0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.071 -16.451 -0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.762 -15.500 0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.946 -15.488 0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.254 -16.487 -1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.545 -16.535 0.428 1.00 0.00 H new ATOM 804 N ASP A 50 -1.672 -14.655 -3.692 1.00 0.00 N ATOM 805 CA ASP A 50 -0.507 -15.077 -4.459 1.00 0.00 C ATOM 806 C ASP A 50 0.503 -13.935 -4.595 1.00 0.00 C ATOM 807 O ASP A 50 1.705 -14.165 -4.734 1.00 0.00 O ATOM 808 CB ASP A 50 -0.943 -15.572 -5.841 1.00 0.00 C ATOM 809 CG ASP A 50 0.228 -15.979 -6.715 1.00 0.00 C ATOM 810 OD1 ASP A 50 0.984 -16.892 -6.323 1.00 0.00 O ATOM 811 OD2 ASP A 50 0.396 -15.383 -7.799 1.00 0.00 O ATOM 0 H ASP A 50 -2.513 -14.510 -4.251 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.021 -15.894 -3.926 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.615 -16.422 -5.722 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.509 -14.786 -6.342 1.00 0.00 H new ATOM 816 N GLU A 51 0.008 -12.702 -4.524 1.00 0.00 N ATOM 817 CA GLU A 51 0.859 -11.523 -4.676 1.00 0.00 C ATOM 818 C GLU A 51 1.359 -11.023 -3.323 1.00 0.00 C ATOM 819 O GLU A 51 2.030 -9.991 -3.243 1.00 0.00 O ATOM 820 CB GLU A 51 0.102 -10.409 -5.401 1.00 0.00 C ATOM 821 CG GLU A 51 -0.167 -10.711 -6.867 1.00 0.00 C ATOM 822 CD GLU A 51 1.098 -10.724 -7.702 1.00 0.00 C ATOM 823 OE1 GLU A 51 1.873 -11.696 -7.607 1.00 0.00 O ATOM 824 OE2 GLU A 51 1.321 -9.763 -8.466 1.00 0.00 O ATOM 0 H GLU A 51 -0.977 -12.492 -4.362 1.00 0.00 H new ATOM 0 HA GLU A 51 1.725 -11.811 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.847 -10.236 -4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.675 -9.485 -5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.662 -11.678 -6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.854 -9.966 -7.267 1.00 0.00 H new ATOM 831 N ALA A 52 1.029 -11.753 -2.261 1.00 0.00 N ATOM 832 CA ALA A 52 1.512 -11.418 -0.929 1.00 0.00 C ATOM 833 C ALA A 52 3.031 -11.523 -0.888 1.00 0.00 C ATOM 834 O ALA A 52 3.592 -12.621 -0.901 1.00 0.00 O ATOM 835 CB ALA A 52 0.878 -12.321 0.118 1.00 0.00 C ATOM 0 H ALA A 52 0.430 -12.578 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 52 1.226 -10.392 -0.699 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.254 -12.053 1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.205 -12.199 0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.130 -13.359 -0.096 1.00 0.00 H new ATOM 841 N THR A 53 3.693 -10.381 -0.852 1.00 0.00 N ATOM 842 CA THR A 53 5.139 -10.347 -0.942 1.00 0.00 C ATOM 843 C THR A 53 5.753 -10.234 0.447 1.00 0.00 C ATOM 844 O THR A 53 5.171 -9.621 1.344 1.00 0.00 O ATOM 845 CB THR A 53 5.603 -9.164 -1.814 1.00 0.00 C ATOM 846 OG1 THR A 53 4.743 -9.044 -2.959 1.00 0.00 O ATOM 847 CG2 THR A 53 7.040 -9.361 -2.280 1.00 0.00 C ATOM 0 H THR A 53 3.252 -9.466 -0.761 1.00 0.00 H new ATOM 0 HA THR A 53 5.472 -11.276 -1.405 1.00 0.00 H new ATOM 0 HB THR A 53 5.554 -8.255 -1.214 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.644 -9.920 -3.387 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.343 -8.513 -2.893 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.697 -9.435 -1.413 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.110 -10.277 -2.867 1.00 0.00 H new ATOM 855 N GLU A 54 6.918 -10.833 0.623 1.00 0.00 N ATOM 856 CA GLU A 54 7.614 -10.777 1.897 1.00 0.00 C ATOM 857 C GLU A 54 8.368 -9.456 1.997 1.00 0.00 C ATOM 858 O GLU A 54 9.178 -9.126 1.129 1.00 0.00 O ATOM 859 CB GLU A 54 8.576 -11.961 2.024 1.00 0.00 C ATOM 860 CG GLU A 54 9.197 -12.108 3.403 1.00 0.00 C ATOM 861 CD GLU A 54 10.075 -13.335 3.507 1.00 0.00 C ATOM 862 OE1 GLU A 54 11.247 -13.268 3.083 1.00 0.00 O ATOM 863 OE2 GLU A 54 9.597 -14.375 4.011 1.00 0.00 O ATOM 0 H GLU A 54 7.402 -11.364 -0.101 1.00 0.00 H new ATOM 0 HA GLU A 54 6.893 -10.838 2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.041 -12.878 1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.372 -11.849 1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.788 -11.220 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.406 -12.165 4.151 1.00 0.00 H new ATOM 870 N TRP A 55 8.098 -8.705 3.051 1.00 0.00 N ATOM 871 CA TRP A 55 8.624 -7.353 3.185 1.00 0.00 C ATOM 872 C TRP A 55 9.587 -7.272 4.368 1.00 0.00 C ATOM 873 O TRP A 55 9.715 -8.226 5.134 1.00 0.00 O ATOM 874 CB TRP A 55 7.451 -6.378 3.369 1.00 0.00 C ATOM 875 CG TRP A 55 7.812 -4.931 3.206 1.00 0.00 C ATOM 876 CD1 TRP A 55 7.816 -3.974 4.178 1.00 0.00 C ATOM 877 CD2 TRP A 55 8.212 -4.276 1.996 1.00 0.00 C ATOM 878 NE1 TRP A 55 8.197 -2.765 3.648 1.00 0.00 N ATOM 879 CE2 TRP A 55 8.447 -2.924 2.313 1.00 0.00 C ATOM 880 CE3 TRP A 55 8.397 -4.702 0.678 1.00 0.00 C ATOM 881 CZ2 TRP A 55 8.855 -1.999 1.360 1.00 0.00 C ATOM 882 CZ3 TRP A 55 8.803 -3.781 -0.267 1.00 0.00 C ATOM 883 CH2 TRP A 55 9.030 -2.443 0.078 1.00 0.00 C ATOM 0 H TRP A 55 7.515 -9.009 3.831 1.00 0.00 H new ATOM 0 HA TRP A 55 9.178 -7.084 2.286 1.00 0.00 H new ATOM 0 HB2 TRP A 55 6.671 -6.628 2.649 1.00 0.00 H new ATOM 0 HB3 TRP A 55 7.027 -6.524 4.362 1.00 0.00 H new ATOM 0 HD1 TRP A 55 7.557 -4.142 5.213 1.00 0.00 H new ATOM 0 HE1 TRP A 55 8.280 -1.890 4.166 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.226 -5.732 0.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 9.028 -0.966 1.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 8.948 -4.098 -1.289 1.00 0.00 H new ATOM 0 HH2 TRP A 55 9.350 -1.747 -0.684 1.00 0.00 H new ATOM 894 N THR A 56 10.273 -6.151 4.501 1.00 0.00 N ATOM 895 CA THR A 56 11.141 -5.916 5.635 1.00 0.00 C ATOM 896 C THR A 56 10.310 -5.544 6.859 1.00 0.00 C ATOM 897 O THR A 56 9.238 -4.953 6.729 1.00 0.00 O ATOM 898 CB THR A 56 12.152 -4.798 5.321 1.00 0.00 C ATOM 899 OG1 THR A 56 11.485 -3.709 4.672 1.00 0.00 O ATOM 900 CG2 THR A 56 13.274 -5.314 4.432 1.00 0.00 C ATOM 0 H THR A 56 10.243 -5.384 3.829 1.00 0.00 H new ATOM 0 HA THR A 56 11.694 -6.832 5.845 1.00 0.00 H new ATOM 0 HB THR A 56 12.586 -4.454 6.260 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.132 -2.999 4.476 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.975 -4.505 4.225 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.796 -6.126 4.939 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.856 -5.681 3.495 1.00 0.00 H new ATOM 908 N PRO A 57 10.775 -5.905 8.060 1.00 0.00 N ATOM 909 CA PRO A 57 10.034 -5.650 9.298 1.00 0.00 C ATOM 910 C PRO A 57 9.799 -4.161 9.535 1.00 0.00 C ATOM 911 O PRO A 57 10.721 -3.347 9.402 1.00 0.00 O ATOM 912 CB PRO A 57 10.936 -6.230 10.394 1.00 0.00 C ATOM 913 CG PRO A 57 12.289 -6.330 9.775 1.00 0.00 C ATOM 914 CD PRO A 57 12.056 -6.581 8.314 1.00 0.00 C ATOM 0 HA PRO A 57 9.040 -6.098 9.271 1.00 0.00 H new ATOM 0 HB2 PRO A 57 10.952 -5.585 11.273 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.580 -7.207 10.721 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.857 -5.412 9.928 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.865 -7.140 10.223 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.858 -6.169 7.701 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.001 -7.647 8.092 1.00 0.00 H new ATOM 922 N ASN A 58 8.562 -3.809 9.862 1.00 0.00 N ATOM 923 CA ASN A 58 8.218 -2.429 10.184 1.00 0.00 C ATOM 924 C ASN A 58 8.937 -2.003 11.457 1.00 0.00 C ATOM 925 O ASN A 58 8.751 -2.604 12.517 1.00 0.00 O ATOM 926 CB ASN A 58 6.700 -2.274 10.362 1.00 0.00 C ATOM 927 CG ASN A 58 6.289 -0.848 10.705 1.00 0.00 C ATOM 928 OD1 ASN A 58 6.938 0.118 10.298 1.00 0.00 O ATOM 929 ND2 ASN A 58 5.208 -0.702 11.458 1.00 0.00 N ATOM 0 H ASN A 58 7.779 -4.461 9.911 1.00 0.00 H new ATOM 0 HA ASN A 58 8.534 -1.791 9.359 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.198 -2.581 9.445 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.361 -2.945 11.151 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.890 0.232 11.718 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.694 -1.523 11.778 1.00 0.00 H new ATOM 936 N ASN A 59 9.769 -0.979 11.347 1.00 0.00 N ATOM 937 CA ASN A 59 10.550 -0.522 12.483 1.00 0.00 C ATOM 938 C ASN A 59 9.678 0.282 13.439 1.00 0.00 C ATOM 939 O ASN A 59 9.116 1.315 13.078 1.00 0.00 O ATOM 940 CB ASN A 59 11.777 0.296 12.033 1.00 0.00 C ATOM 941 CG ASN A 59 11.422 1.549 11.250 1.00 0.00 C ATOM 942 OD1 ASN A 59 11.210 2.618 11.824 1.00 0.00 O ATOM 943 ND2 ASN A 59 11.385 1.438 9.930 1.00 0.00 N ATOM 0 H ASN A 59 9.920 -0.452 10.487 1.00 0.00 H new ATOM 0 HA ASN A 59 10.921 -1.401 13.011 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.356 0.579 12.912 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.419 -0.336 11.419 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.176 2.254 9.355 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.566 0.536 9.489 1.00 0.00 H new ATOM 950 N LEU A 60 9.540 -0.223 14.652 1.00 0.00 N ATOM 951 CA LEU A 60 8.788 0.467 15.682 1.00 0.00 C ATOM 952 C LEU A 60 9.733 0.917 16.780 1.00 0.00 C ATOM 953 O LEU A 60 10.330 0.091 17.473 1.00 0.00 O ATOM 954 CB LEU A 60 7.688 -0.434 16.258 1.00 0.00 C ATOM 955 CG LEU A 60 6.590 -0.824 15.267 1.00 0.00 C ATOM 956 CD1 LEU A 60 5.582 -1.751 15.931 1.00 0.00 C ATOM 957 CD2 LEU A 60 5.895 0.421 14.725 1.00 0.00 C ATOM 0 H LEU A 60 9.941 -1.113 14.948 1.00 0.00 H new ATOM 0 HA LEU A 60 8.305 1.339 15.240 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.149 -1.343 16.644 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.228 0.075 17.105 1.00 0.00 H new ATOM 0 HG LEU A 60 7.049 -1.353 14.432 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.807 -2.020 15.213 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.088 -2.654 16.273 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.128 -1.245 16.783 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.117 0.126 14.021 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.447 0.976 15.550 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.624 1.052 14.216 1.00 0.00 H new ATOM 969 N GLU A 61 9.895 2.221 16.910 1.00 0.00 N ATOM 970 CA GLU A 61 10.794 2.779 17.903 1.00 0.00 C ATOM 971 C GLU A 61 10.239 2.509 19.296 1.00 0.00 C ATOM 972 O GLU A 61 9.043 2.695 19.535 1.00 0.00 O ATOM 973 CB GLU A 61 10.969 4.282 17.656 1.00 0.00 C ATOM 974 CG GLU A 61 12.336 4.830 18.040 1.00 0.00 C ATOM 975 CD GLU A 61 12.575 4.857 19.534 1.00 0.00 C ATOM 976 OE1 GLU A 61 12.140 5.830 20.187 1.00 0.00 O ATOM 977 OE2 GLU A 61 13.208 3.916 20.059 1.00 0.00 O ATOM 0 H GLU A 61 9.414 2.915 16.338 1.00 0.00 H new ATOM 0 HA GLU A 61 11.774 2.307 17.825 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.793 4.487 16.600 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.205 4.821 18.217 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.108 4.223 17.567 1.00 0.00 H new ATOM 0 HG3 GLU A 61 12.438 5.841 17.645 1.00 0.00 H new TER 984 GLU A 61