USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 555 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 Single : A 5 ASN : amide:sc= -1.47! K(o=-1.5!,f=-0.064) USER MOD Single : A 12 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.34) USER MOD Single : A 13 LYS NZ :NH3+ 148:sc= 1.1 (180deg=0.809) USER MOD Single : A 14 LYS NZ :NH3+ -118:sc= 1.22 (180deg=-0.715!) USER MOD Single : A 15 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 24 THR OG1 : rot 74:sc= 0.89 USER MOD Single : A 25 TYR OH : rot 171:sc= -0.192 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 27 LYS NZ :NH3+ 172:sc= 1.09 (180deg=0.76) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= -3.2! (180deg=-4.52!) USER MOD Single : A 34 SER OG : rot -88:sc= 0.148 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -80:sc= 0.482 USER MOD Single : A 41 LYS NZ :NH3+ -107:sc= 0.101 (180deg=-3.78!) USER MOD Single : A 46 SER OG : rot 73:sc= 1.3 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -6.77! K(o=-6.8!,f=-0.37) USER MOD Single : A 61 GLN : amide:sc= -2.83! C(o=-2.8!,f=-2.3!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 5 18.796 -3.300 0.633 1.00 0.00 N ATOM 2 CA ASN A 5 18.000 -3.258 1.853 1.00 0.00 C ATOM 3 C ASN A 5 16.625 -2.721 1.542 1.00 0.00 C ATOM 4 O ASN A 5 15.604 -3.303 1.892 1.00 0.00 O ATOM 5 CB ASN A 5 18.665 -2.368 2.898 1.00 0.00 C ATOM 6 CG ASN A 5 18.055 -2.545 4.273 1.00 0.00 C ATOM 7 OD1 ASN A 5 17.944 -1.591 5.043 1.00 0.00 O ATOM 8 ND2 ASN A 5 17.681 -3.773 4.597 1.00 0.00 N ATOM 0 HA ASN A 5 17.921 -4.270 2.251 1.00 0.00 H new ATOM 0 HB2 ASN A 5 19.730 -2.597 2.943 1.00 0.00 H new ATOM 0 HB3 ASN A 5 18.575 -1.325 2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 5 17.282 -3.959 5.517 1.00 0.00 H new ATOM 0 HD22 ASN A 5 17.792 -4.534 3.926 1.00 0.00 H new ATOM 15 N GLU A 6 16.641 -1.612 0.851 1.00 0.00 N ATOM 16 CA GLU A 6 15.451 -0.898 0.435 1.00 0.00 C ATOM 17 C GLU A 6 14.632 -1.722 -0.550 1.00 0.00 C ATOM 18 O GLU A 6 13.406 -1.709 -0.507 1.00 0.00 O ATOM 19 CB GLU A 6 15.894 0.423 -0.179 1.00 0.00 C ATOM 20 CG GLU A 6 17.401 0.468 -0.394 1.00 0.00 C ATOM 21 CD GLU A 6 17.850 -0.268 -1.638 1.00 0.00 C ATOM 22 OE1 GLU A 6 17.933 -1.515 -1.591 1.00 0.00 O ATOM 23 OE2 GLU A 6 18.144 0.396 -2.647 1.00 0.00 O ATOM 0 H GLU A 6 17.506 -1.163 0.550 1.00 0.00 H new ATOM 0 HA GLU A 6 14.805 -0.711 1.293 1.00 0.00 H new ATOM 0 HB2 GLU A 6 15.386 0.570 -1.132 1.00 0.00 H new ATOM 0 HB3 GLU A 6 15.595 1.245 0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 6 17.721 1.508 -0.460 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.898 0.036 0.475 1.00 0.00 H new ATOM 30 N ARG A 7 15.315 -2.438 -1.433 1.00 0.00 N ATOM 31 CA ARG A 7 14.645 -3.352 -2.351 1.00 0.00 C ATOM 32 C ARG A 7 13.875 -4.411 -1.568 1.00 0.00 C ATOM 33 O ARG A 7 12.742 -4.760 -1.910 1.00 0.00 O ATOM 34 CB ARG A 7 15.659 -4.013 -3.279 1.00 0.00 C ATOM 35 CG ARG A 7 16.404 -3.022 -4.155 1.00 0.00 C ATOM 36 CD ARG A 7 15.459 -1.990 -4.749 1.00 0.00 C ATOM 37 NE ARG A 7 16.114 -1.173 -5.770 1.00 0.00 N ATOM 38 CZ ARG A 7 15.491 -0.246 -6.498 1.00 0.00 C ATOM 39 NH1 ARG A 7 14.180 -0.078 -6.383 1.00 0.00 N ATOM 40 NH2 ARG A 7 16.177 0.497 -7.359 1.00 0.00 N ATOM 0 H ARG A 7 16.329 -2.405 -1.534 1.00 0.00 H new ATOM 0 HA ARG A 7 13.941 -2.783 -2.958 1.00 0.00 H new ATOM 0 HB2 ARG A 7 16.379 -4.572 -2.681 1.00 0.00 H new ATOM 0 HB3 ARG A 7 15.144 -4.734 -3.914 1.00 0.00 H new ATOM 0 HG2 ARG A 7 17.172 -2.519 -3.567 1.00 0.00 H new ATOM 0 HG3 ARG A 7 16.915 -3.555 -4.957 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.598 -2.496 -5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 7 15.081 -1.345 -3.956 1.00 0.00 H new ATOM 0 HE ARG A 7 17.109 -1.322 -5.935 1.00 0.00 H new ATOM 0 HH11 ARG A 7 13.646 -0.659 -5.736 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.706 0.632 -6.941 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.182 0.359 -7.464 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.699 1.206 -7.915 1.00 0.00 H new ATOM 54 N ARG A 8 14.494 -4.895 -0.496 1.00 0.00 N ATOM 55 CA ARG A 8 13.872 -5.885 0.370 1.00 0.00 C ATOM 56 C ARG A 8 12.725 -5.247 1.149 1.00 0.00 C ATOM 57 O ARG A 8 11.664 -5.851 1.308 1.00 0.00 O ATOM 58 CB ARG A 8 14.902 -6.470 1.338 1.00 0.00 C ATOM 59 CG ARG A 8 14.392 -7.653 2.149 1.00 0.00 C ATOM 60 CD ARG A 8 15.250 -7.888 3.382 1.00 0.00 C ATOM 61 NE ARG A 8 16.678 -7.888 3.072 1.00 0.00 N ATOM 62 CZ ARG A 8 17.634 -7.696 3.978 1.00 0.00 C ATOM 63 NH1 ARG A 8 17.322 -7.559 5.262 1.00 0.00 N ATOM 64 NH2 ARG A 8 18.904 -7.655 3.601 1.00 0.00 N ATOM 0 H ARG A 8 15.431 -4.614 -0.207 1.00 0.00 H new ATOM 0 HA ARG A 8 13.478 -6.692 -0.248 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.780 -6.783 0.772 1.00 0.00 H new ATOM 0 HB3 ARG A 8 15.227 -5.687 2.023 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.360 -7.472 2.450 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.391 -8.549 1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.041 -7.114 4.120 1.00 0.00 H new ATOM 0 HD3 ARG A 8 14.979 -8.842 3.834 1.00 0.00 H new ATOM 0 HE ARG A 8 16.959 -8.044 2.104 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.347 -7.601 5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.058 -7.412 5.953 1.00 0.00 H new ATOM 0 HH21 ARG A 8 19.148 -7.771 2.617 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.637 -7.508 4.295 1.00 0.00 H new ATOM 78 N ILE A 9 12.950 -4.022 1.631 1.00 0.00 N ATOM 79 CA ILE A 9 11.917 -3.256 2.309 1.00 0.00 C ATOM 80 C ILE A 9 10.685 -3.127 1.425 1.00 0.00 C ATOM 81 O ILE A 9 9.566 -3.443 1.834 1.00 0.00 O ATOM 82 CB ILE A 9 12.404 -1.823 2.605 1.00 0.00 C ATOM 83 CG1 ILE A 9 13.475 -1.776 3.688 1.00 0.00 C ATOM 84 CG2 ILE A 9 11.236 -0.920 2.985 1.00 0.00 C ATOM 85 CD1 ILE A 9 14.008 -0.374 3.880 1.00 0.00 C ATOM 0 H ILE A 9 13.847 -3.542 1.560 1.00 0.00 H new ATOM 0 HA ILE A 9 11.683 -3.783 3.234 1.00 0.00 H new ATOM 0 HB ILE A 9 12.858 -1.456 1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.060 -2.140 4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 9 14.294 -2.444 3.421 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.605 0.085 3.189 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.521 -0.884 2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.746 -1.314 3.875 1.00 0.00 H new ATOM 0 HD11 ILE A 9 14.770 -0.378 4.660 1.00 0.00 H new ATOM 0 HD12 ILE A 9 14.446 -0.020 2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.193 0.288 4.172 1.00 0.00 H new ATOM 97 N LEU A 10 10.925 -2.686 0.195 1.00 0.00 N ATOM 98 CA LEU A 10 9.889 -2.266 -0.703 1.00 0.00 C ATOM 99 C LEU A 10 8.997 -3.442 -1.071 1.00 0.00 C ATOM 100 O LEU A 10 7.780 -3.343 -0.987 1.00 0.00 O ATOM 101 CB LEU A 10 10.570 -1.665 -1.928 1.00 0.00 C ATOM 102 CG LEU A 10 9.748 -0.675 -2.759 1.00 0.00 C ATOM 103 CD1 LEU A 10 8.398 -1.248 -3.101 1.00 0.00 C ATOM 104 CD2 LEU A 10 9.605 0.652 -2.025 1.00 0.00 C ATOM 0 H LEU A 10 11.863 -2.614 -0.199 1.00 0.00 H new ATOM 0 HA LEU A 10 9.243 -1.521 -0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.478 -1.160 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.878 -2.482 -2.580 1.00 0.00 H new ATOM 0 HG LEU A 10 10.280 -0.493 -3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.835 -0.525 -3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.527 -2.165 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.854 -1.470 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.018 1.342 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.102 0.488 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.593 1.077 -1.846 1.00 0.00 H new ATOM 116 N GLU A 11 9.600 -4.551 -1.457 1.00 0.00 N ATOM 117 CA GLU A 11 8.833 -5.721 -1.862 1.00 0.00 C ATOM 118 C GLU A 11 8.049 -6.301 -0.683 1.00 0.00 C ATOM 119 O GLU A 11 6.899 -6.736 -0.830 1.00 0.00 O ATOM 120 CB GLU A 11 9.765 -6.781 -2.449 1.00 0.00 C ATOM 121 CG GLU A 11 10.517 -6.319 -3.684 1.00 0.00 C ATOM 122 CD GLU A 11 9.588 -5.798 -4.753 1.00 0.00 C ATOM 123 OE1 GLU A 11 8.826 -6.601 -5.328 1.00 0.00 O ATOM 124 OE2 GLU A 11 9.599 -4.581 -5.020 1.00 0.00 O ATOM 0 H GLU A 11 10.612 -4.669 -1.500 1.00 0.00 H new ATOM 0 HA GLU A 11 8.118 -5.412 -2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.485 -7.080 -1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.181 -7.666 -2.701 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.224 -5.537 -3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.100 -7.148 -4.084 1.00 0.00 H new ATOM 131 N GLN A 12 8.670 -6.300 0.489 1.00 0.00 N ATOM 132 CA GLN A 12 8.003 -6.764 1.693 1.00 0.00 C ATOM 133 C GLN A 12 6.810 -5.865 1.995 1.00 0.00 C ATOM 134 O GLN A 12 5.708 -6.341 2.275 1.00 0.00 O ATOM 135 CB GLN A 12 8.974 -6.765 2.873 1.00 0.00 C ATOM 136 CG GLN A 12 8.414 -7.426 4.122 1.00 0.00 C ATOM 137 CD GLN A 12 8.166 -8.908 3.930 1.00 0.00 C ATOM 138 OE1 GLN A 12 7.099 -9.322 3.479 1.00 0.00 O ATOM 139 NE2 GLN A 12 9.144 -9.721 4.295 1.00 0.00 N ATOM 0 H GLN A 12 9.630 -5.984 0.629 1.00 0.00 H new ATOM 0 HA GLN A 12 7.653 -7.784 1.534 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.889 -7.279 2.579 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.248 -5.737 3.108 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.109 -7.281 4.949 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.480 -6.937 4.401 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.014 -9.338 4.665 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.028 -10.730 4.207 1.00 0.00 H new ATOM 148 N LYS A 13 7.043 -4.561 1.908 1.00 0.00 N ATOM 149 CA LYS A 13 6.002 -3.573 2.152 1.00 0.00 C ATOM 150 C LYS A 13 4.944 -3.619 1.062 1.00 0.00 C ATOM 151 O LYS A 13 3.767 -3.455 1.340 1.00 0.00 O ATOM 152 CB LYS A 13 6.609 -2.175 2.253 1.00 0.00 C ATOM 153 CG LYS A 13 6.575 -1.620 3.663 1.00 0.00 C ATOM 154 CD LYS A 13 7.745 -0.690 3.927 1.00 0.00 C ATOM 155 CE LYS A 13 7.635 -0.024 5.289 1.00 0.00 C ATOM 156 NZ LYS A 13 7.229 -0.979 6.352 1.00 0.00 N ATOM 0 H LYS A 13 7.951 -4.162 1.668 1.00 0.00 H new ATOM 0 HA LYS A 13 5.520 -3.812 3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.641 -2.206 1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.069 -1.500 1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.640 -1.083 3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.595 -2.442 4.379 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.677 -1.252 3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.786 0.074 3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.594 0.422 5.551 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.910 0.788 5.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.662 -0.698 7.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.193 -0.973 6.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.547 -1.936 6.099 1.00 0.00 H new ATOM 170 N LYS A 14 5.377 -3.846 -0.176 1.00 0.00 N ATOM 171 CA LYS A 14 4.468 -4.035 -1.300 1.00 0.00 C ATOM 172 C LYS A 14 3.365 -5.045 -0.939 1.00 0.00 C ATOM 173 O LYS A 14 2.169 -4.756 -1.067 1.00 0.00 O ATOM 174 CB LYS A 14 5.264 -4.531 -2.517 1.00 0.00 C ATOM 175 CG LYS A 14 4.540 -4.368 -3.844 1.00 0.00 C ATOM 176 CD LYS A 14 5.405 -4.830 -5.007 1.00 0.00 C ATOM 177 CE LYS A 14 6.340 -3.734 -5.515 1.00 0.00 C ATOM 178 NZ LYS A 14 7.348 -4.276 -6.468 1.00 0.00 N ATOM 0 H LYS A 14 6.364 -3.904 -0.426 1.00 0.00 H new ATOM 0 HA LYS A 14 3.993 -3.084 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.210 -3.991 -2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.505 -5.584 -2.375 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.613 -4.941 -3.828 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.266 -3.322 -3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.996 -5.691 -4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.763 -5.162 -5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.756 -2.955 -6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.849 -3.268 -4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.303 -4.137 -6.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.178 -5.292 -6.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.268 -3.779 -7.378 1.00 0.00 H new ATOM 192 N HIS A 15 3.764 -6.213 -0.432 1.00 0.00 N ATOM 193 CA HIS A 15 2.784 -7.227 -0.043 1.00 0.00 C ATOM 194 C HIS A 15 2.084 -6.850 1.261 1.00 0.00 C ATOM 195 O HIS A 15 0.898 -7.103 1.420 1.00 0.00 O ATOM 196 CB HIS A 15 3.416 -8.621 0.098 1.00 0.00 C ATOM 197 CG HIS A 15 2.413 -9.702 0.428 1.00 0.00 C ATOM 198 ND1 HIS A 15 2.730 -10.844 1.132 1.00 0.00 N ATOM 199 CD2 HIS A 15 1.090 -9.811 0.134 1.00 0.00 C ATOM 200 CE1 HIS A 15 1.654 -11.600 1.252 1.00 0.00 C ATOM 201 NE2 HIS A 15 0.644 -10.999 0.653 1.00 0.00 N ATOM 0 H HIS A 15 4.738 -6.477 -0.284 1.00 0.00 H new ATOM 0 HA HIS A 15 2.048 -7.266 -0.846 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.924 -8.878 -0.832 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.176 -8.590 0.878 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.497 -9.091 -0.411 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.608 -12.553 1.757 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.309 -11.358 0.587 1.00 0.00 H new ATOM 210 N TYR A 16 2.809 -6.254 2.193 1.00 0.00 N ATOM 211 CA TYR A 16 2.241 -5.940 3.503 1.00 0.00 C ATOM 212 C TYR A 16 1.256 -4.777 3.419 1.00 0.00 C ATOM 213 O TYR A 16 0.321 -4.692 4.206 1.00 0.00 O ATOM 214 CB TYR A 16 3.348 -5.620 4.507 1.00 0.00 C ATOM 215 CG TYR A 16 3.203 -6.357 5.822 1.00 0.00 C ATOM 216 CD1 TYR A 16 2.083 -7.139 6.084 1.00 0.00 C ATOM 217 CD2 TYR A 16 4.187 -6.275 6.799 1.00 0.00 C ATOM 218 CE1 TYR A 16 1.947 -7.816 7.278 1.00 0.00 C ATOM 219 CE2 TYR A 16 4.059 -6.950 7.999 1.00 0.00 C ATOM 220 CZ TYR A 16 2.940 -7.720 8.233 1.00 0.00 C ATOM 221 OH TYR A 16 2.814 -8.397 9.424 1.00 0.00 O ATOM 0 H TYR A 16 3.784 -5.978 2.074 1.00 0.00 H new ATOM 0 HA TYR A 16 1.697 -6.820 3.845 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.312 -5.870 4.064 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.354 -4.547 4.700 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.305 -7.218 5.339 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.066 -5.674 6.618 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.070 -8.417 7.465 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.832 -6.874 8.749 1.00 0.00 H new ATOM 0 HH TYR A 16 3.600 -8.223 9.984 1.00 0.00 H new ATOM 231 N PHE A 17 1.460 -3.897 2.456 1.00 0.00 N ATOM 232 CA PHE A 17 0.548 -2.799 2.211 1.00 0.00 C ATOM 233 C PHE A 17 -0.680 -3.311 1.479 1.00 0.00 C ATOM 234 O PHE A 17 -1.767 -2.788 1.651 1.00 0.00 O ATOM 235 CB PHE A 17 1.225 -1.714 1.392 1.00 0.00 C ATOM 236 CG PHE A 17 0.404 -0.467 1.292 1.00 0.00 C ATOM 237 CD1 PHE A 17 0.127 0.262 2.433 1.00 0.00 C ATOM 238 CD2 PHE A 17 -0.087 -0.028 0.072 1.00 0.00 C ATOM 239 CE1 PHE A 17 -0.637 1.411 2.370 1.00 0.00 C ATOM 240 CE2 PHE A 17 -0.850 1.118 -0.002 1.00 0.00 C ATOM 241 CZ PHE A 17 -1.124 1.841 1.146 1.00 0.00 C ATOM 0 H PHE A 17 2.260 -3.924 1.824 1.00 0.00 H new ATOM 0 HA PHE A 17 0.248 -2.371 3.168 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.189 -1.474 1.841 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.426 -2.093 0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.513 -0.071 3.385 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.130 -0.587 -0.826 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.853 1.970 3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.234 1.451 -0.955 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.718 2.741 1.088 1.00 0.00 H new ATOM 251 N TRP A 18 -0.497 -4.349 0.668 1.00 0.00 N ATOM 252 CA TRP A 18 -1.629 -5.025 0.010 1.00 0.00 C ATOM 253 C TRP A 18 -2.361 -5.830 1.067 1.00 0.00 C ATOM 254 O TRP A 18 -3.571 -6.004 1.025 1.00 0.00 O ATOM 255 CB TRP A 18 -1.118 -5.947 -1.111 1.00 0.00 C ATOM 256 CG TRP A 18 -2.139 -6.489 -2.109 1.00 0.00 C ATOM 257 CD1 TRP A 18 -1.846 -7.399 -3.088 1.00 0.00 C ATOM 258 CD2 TRP A 18 -3.557 -6.183 -2.281 1.00 0.00 C ATOM 259 NE1 TRP A 18 -2.957 -7.672 -3.843 1.00 0.00 N ATOM 260 CE2 TRP A 18 -4.009 -6.957 -3.375 1.00 0.00 C ATOM 261 CE3 TRP A 18 -4.495 -5.345 -1.646 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -5.318 -6.930 -3.834 1.00 0.00 C ATOM 263 CZ3 TRP A 18 -5.808 -5.327 -2.120 1.00 0.00 C ATOM 264 CH2 TRP A 18 -6.199 -6.113 -3.203 1.00 0.00 C ATOM 0 H TRP A 18 0.417 -4.745 0.446 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.301 -4.295 -0.441 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.358 -5.403 -1.672 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.622 -6.798 -0.644 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.873 -7.841 -3.244 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.987 -8.314 -4.635 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.204 -4.728 -0.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.627 -7.541 -4.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.536 -4.691 -1.638 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -7.222 -6.071 -3.546 1.00 0.00 H new ATOM 275 N LEU A 19 -1.601 -6.268 2.053 1.00 0.00 N ATOM 276 CA LEU A 19 -2.142 -7.015 3.167 1.00 0.00 C ATOM 277 C LEU A 19 -2.908 -6.043 4.050 1.00 0.00 C ATOM 278 O LEU A 19 -3.960 -6.352 4.598 1.00 0.00 O ATOM 279 CB LEU A 19 -0.995 -7.693 3.931 1.00 0.00 C ATOM 280 CG LEU A 19 -1.388 -8.923 4.743 1.00 0.00 C ATOM 281 CD1 LEU A 19 -0.213 -9.882 4.841 1.00 0.00 C ATOM 282 CD2 LEU A 19 -1.853 -8.510 6.125 1.00 0.00 C ATOM 0 H LEU A 19 -0.594 -6.115 2.102 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.819 -7.799 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.225 -7.982 3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.547 -6.962 4.604 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.210 -9.431 4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.505 -10.756 5.423 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.086 -10.195 3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.624 -9.383 5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.131 -9.396 6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.047 -7.986 6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.716 -7.850 6.036 1.00 0.00 H new ATOM 294 N LEU A 20 -2.359 -4.845 4.137 1.00 0.00 N ATOM 295 CA LEU A 20 -2.982 -3.729 4.828 1.00 0.00 C ATOM 296 C LEU A 20 -4.241 -3.284 4.070 1.00 0.00 C ATOM 297 O LEU A 20 -5.321 -3.155 4.653 1.00 0.00 O ATOM 298 CB LEU A 20 -1.957 -2.577 4.897 1.00 0.00 C ATOM 299 CG LEU A 20 -2.128 -1.533 6.006 1.00 0.00 C ATOM 300 CD1 LEU A 20 -3.476 -0.839 5.905 1.00 0.00 C ATOM 301 CD2 LEU A 20 -1.937 -2.174 7.375 1.00 0.00 C ATOM 0 H LEU A 20 -1.455 -4.616 3.724 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.279 -4.021 5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.965 -3.017 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.975 -2.055 3.940 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.360 -0.771 5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.568 -0.104 6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.556 -0.337 4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.273 -1.577 5.997 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.062 -1.419 8.151 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.677 -2.963 7.514 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.936 -2.600 7.441 1.00 0.00 H new ATOM 313 N LEU A 21 -4.087 -3.079 2.764 1.00 0.00 N ATOM 314 CA LEU A 21 -5.114 -2.518 1.925 1.00 0.00 C ATOM 315 C LEU A 21 -6.244 -3.541 1.709 1.00 0.00 C ATOM 316 O LEU A 21 -7.405 -3.167 1.594 1.00 0.00 O ATOM 317 CB LEU A 21 -4.435 -2.091 0.605 1.00 0.00 C ATOM 318 CG LEU A 21 -5.095 -1.003 -0.260 1.00 0.00 C ATOM 319 CD1 LEU A 21 -6.607 -0.978 -0.129 1.00 0.00 C ATOM 320 CD2 LEU A 21 -4.481 0.332 0.085 1.00 0.00 C ATOM 0 H LEU A 21 -3.228 -3.305 2.262 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.582 -1.648 2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.428 -1.751 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.329 -2.983 -0.013 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.903 -1.235 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.014 -0.190 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.015 -1.940 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.879 -0.786 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.941 1.112 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.648 0.548 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.410 0.302 -0.114 1.00 0.00 H new ATOM 332 N GLN A 22 -5.916 -4.835 1.676 1.00 0.00 N ATOM 333 CA GLN A 22 -6.951 -5.866 1.537 1.00 0.00 C ATOM 334 C GLN A 22 -7.666 -6.096 2.866 1.00 0.00 C ATOM 335 O GLN A 22 -8.871 -6.343 2.898 1.00 0.00 O ATOM 336 CB GLN A 22 -6.374 -7.192 1.027 1.00 0.00 C ATOM 337 CG GLN A 22 -7.440 -8.255 0.802 1.00 0.00 C ATOM 338 CD GLN A 22 -6.889 -9.558 0.256 1.00 0.00 C ATOM 339 OE1 GLN A 22 -5.889 -9.579 -0.457 1.00 0.00 O ATOM 340 NE2 GLN A 22 -7.543 -10.660 0.591 1.00 0.00 N ATOM 0 H GLN A 22 -4.962 -5.191 1.742 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.666 -5.501 0.799 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.842 -7.015 0.092 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.643 -7.564 1.745 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.950 -8.452 1.745 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.188 -7.868 0.110 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.370 -10.602 1.185 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.220 -11.567 0.255 1.00 0.00 H new ATOM 349 N ARG A 23 -6.914 -6.020 3.957 1.00 0.00 N ATOM 350 CA ARG A 23 -7.487 -6.145 5.291 1.00 0.00 C ATOM 351 C ARG A 23 -8.501 -5.039 5.529 1.00 0.00 C ATOM 352 O ARG A 23 -9.572 -5.271 6.088 1.00 0.00 O ATOM 353 CB ARG A 23 -6.378 -6.107 6.350 1.00 0.00 C ATOM 354 CG ARG A 23 -6.880 -5.986 7.780 1.00 0.00 C ATOM 355 CD ARG A 23 -6.632 -4.597 8.334 1.00 0.00 C ATOM 356 NE ARG A 23 -5.210 -4.283 8.329 1.00 0.00 N ATOM 357 CZ ARG A 23 -4.454 -4.278 9.408 1.00 0.00 C ATOM 358 NH1 ARG A 23 -4.978 -4.460 10.614 1.00 0.00 N ATOM 359 NH2 ARG A 23 -3.164 -4.072 9.272 1.00 0.00 N ATOM 0 H ARG A 23 -5.905 -5.872 3.944 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.000 -7.104 5.369 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.778 -7.013 6.264 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.718 -5.266 6.137 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.947 -6.208 7.813 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.381 -6.725 8.407 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.173 -3.862 7.739 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.020 -4.532 9.351 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.773 -4.053 7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.982 -4.607 10.717 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.377 -4.453 11.438 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.767 -3.920 8.345 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.559 -4.064 10.093 1.00 0.00 H new ATOM 373 N THR A 24 -8.155 -3.841 5.092 1.00 0.00 N ATOM 374 CA THR A 24 -9.048 -2.711 5.210 1.00 0.00 C ATOM 375 C THR A 24 -10.143 -2.782 4.150 1.00 0.00 C ATOM 376 O THR A 24 -11.331 -2.830 4.469 1.00 0.00 O ATOM 377 CB THR A 24 -8.283 -1.389 5.063 1.00 0.00 C ATOM 378 OG1 THR A 24 -7.147 -1.385 5.938 1.00 0.00 O ATOM 379 CG2 THR A 24 -9.189 -0.214 5.382 1.00 0.00 C ATOM 0 H THR A 24 -7.259 -3.629 4.652 1.00 0.00 H new ATOM 0 HA THR A 24 -9.501 -2.749 6.201 1.00 0.00 H new ATOM 0 HB THR A 24 -7.942 -1.294 4.032 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.454 -1.976 5.577 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.631 0.716 5.273 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.036 -0.211 4.696 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.551 -0.302 6.406 1.00 0.00 H new ATOM 387 N TYR A 25 -9.734 -2.800 2.889 1.00 0.00 N ATOM 388 CA TYR A 25 -10.671 -2.859 1.783 1.00 0.00 C ATOM 389 C TYR A 25 -10.619 -4.242 1.149 1.00 0.00 C ATOM 390 O TYR A 25 -9.807 -4.504 0.255 1.00 0.00 O ATOM 391 CB TYR A 25 -10.350 -1.779 0.742 1.00 0.00 C ATOM 392 CG TYR A 25 -10.214 -0.381 1.318 1.00 0.00 C ATOM 393 CD1 TYR A 25 -10.928 0.015 2.446 1.00 0.00 C ATOM 394 CD2 TYR A 25 -9.366 0.547 0.730 1.00 0.00 C ATOM 395 CE1 TYR A 25 -10.794 1.288 2.963 1.00 0.00 C ATOM 396 CE2 TYR A 25 -9.230 1.821 1.244 1.00 0.00 C ATOM 397 CZ TYR A 25 -9.945 2.185 2.355 1.00 0.00 C ATOM 398 OH TYR A 25 -9.804 3.451 2.856 1.00 0.00 O ATOM 0 H TYR A 25 -8.754 -2.774 2.609 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.677 -2.674 2.159 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.422 -2.043 0.235 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -11.135 -1.774 -0.014 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.597 -0.685 2.924 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.801 0.267 -0.147 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.353 1.579 3.840 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.563 2.528 0.773 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.069 3.906 2.394 1.00 0.00 H new ATOM 408 N THR A 26 -11.473 -5.121 1.644 1.00 0.00 N ATOM 409 CA THR A 26 -11.464 -6.523 1.264 1.00 0.00 C ATOM 410 C THR A 26 -12.091 -6.765 -0.110 1.00 0.00 C ATOM 411 O THR A 26 -12.283 -5.834 -0.899 1.00 0.00 O ATOM 412 CB THR A 26 -12.234 -7.336 2.311 1.00 0.00 C ATOM 413 OG1 THR A 26 -12.508 -6.505 3.447 1.00 0.00 O ATOM 414 CG2 THR A 26 -11.439 -8.555 2.752 1.00 0.00 C ATOM 0 H THR A 26 -12.195 -4.881 2.323 1.00 0.00 H new ATOM 0 HA THR A 26 -10.422 -6.837 1.211 1.00 0.00 H new ATOM 0 HB THR A 26 -13.167 -7.681 1.864 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.002 -7.021 4.118 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.010 -9.112 3.495 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.244 -9.193 1.890 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.493 -8.234 3.188 1.00 0.00 H new ATOM 422 N LYS A 27 -12.376 -8.036 -0.387 1.00 0.00 N ATOM 423 CA LYS A 27 -13.063 -8.450 -1.599 1.00 0.00 C ATOM 424 C LYS A 27 -14.398 -7.718 -1.724 1.00 0.00 C ATOM 425 O LYS A 27 -14.690 -7.106 -2.748 1.00 0.00 O ATOM 426 CB LYS A 27 -13.308 -9.959 -1.543 1.00 0.00 C ATOM 427 CG LYS A 27 -12.365 -10.692 -0.600 1.00 0.00 C ATOM 428 CD LYS A 27 -12.763 -12.154 -0.420 1.00 0.00 C ATOM 429 CE LYS A 27 -12.624 -12.975 -1.697 1.00 0.00 C ATOM 430 NZ LYS A 27 -11.210 -13.301 -2.018 1.00 0.00 N ATOM 0 H LYS A 27 -12.133 -8.810 0.231 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.447 -8.206 -2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -14.336 -10.141 -1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.202 -10.374 -2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.348 -10.638 -0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.362 -10.194 0.370 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.145 -12.599 0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.796 -12.203 -0.075 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.191 -13.900 -1.593 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.063 -12.424 -2.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.180 -13.970 -2.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.703 -12.431 -2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.756 -13.731 -1.187 1.00 0.00 H new ATOM 444 N THR A 28 -15.193 -7.791 -0.665 1.00 0.00 N ATOM 445 CA THR A 28 -16.484 -7.124 -0.627 1.00 0.00 C ATOM 446 C THR A 28 -16.657 -6.356 0.686 1.00 0.00 C ATOM 447 O THR A 28 -17.426 -5.393 0.748 1.00 0.00 O ATOM 448 CB THR A 28 -17.632 -8.143 -0.794 1.00 0.00 C ATOM 449 OG1 THR A 28 -18.900 -7.477 -0.870 1.00 0.00 O ATOM 450 CG2 THR A 28 -17.643 -9.131 0.362 1.00 0.00 C ATOM 0 H THR A 28 -14.963 -8.309 0.183 1.00 0.00 H new ATOM 0 HA THR A 28 -16.520 -6.417 -1.456 1.00 0.00 H new ATOM 0 HB THR A 28 -17.463 -8.685 -1.725 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.613 -8.141 -0.977 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.459 -9.841 0.226 1.00 0.00 H new ATOM 0 HG22 THR A 28 -16.695 -9.669 0.390 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.783 -8.593 1.299 1.00 0.00 H new ATOM 458 N GLY A 29 -15.945 -6.809 1.732 1.00 0.00 N ATOM 459 CA GLY A 29 -15.981 -6.176 3.031 1.00 0.00 C ATOM 460 C GLY A 29 -15.979 -4.661 2.963 1.00 0.00 C ATOM 461 O GLY A 29 -16.893 -4.002 3.464 1.00 0.00 O ATOM 0 H GLY A 29 -15.334 -7.624 1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.872 -6.507 3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.121 -6.507 3.612 1.00 0.00 H new ATOM 465 N LYS A 30 -14.940 -4.115 2.355 1.00 0.00 N ATOM 466 CA LYS A 30 -14.889 -2.703 2.021 1.00 0.00 C ATOM 467 C LYS A 30 -14.443 -2.560 0.579 1.00 0.00 C ATOM 468 O LYS A 30 -13.353 -3.000 0.219 1.00 0.00 O ATOM 469 CB LYS A 30 -13.937 -1.931 2.940 1.00 0.00 C ATOM 470 CG LYS A 30 -14.437 -1.770 4.368 1.00 0.00 C ATOM 471 CD LYS A 30 -15.661 -0.865 4.445 1.00 0.00 C ATOM 472 CE LYS A 30 -15.371 0.531 3.906 1.00 0.00 C ATOM 473 NZ LYS A 30 -16.467 1.487 4.221 1.00 0.00 N ATOM 0 H LYS A 30 -14.109 -4.638 2.079 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.884 -2.280 2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.975 -2.443 2.960 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.763 -0.942 2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.684 -2.749 4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.641 -1.356 4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.478 -1.311 3.878 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.994 -0.792 5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.437 0.897 4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.232 0.481 2.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.231 2.424 3.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.354 1.151 3.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.583 1.554 5.252 1.00 0.00 H new ATOM 487 N PRO A 31 -15.289 -1.972 -0.269 1.00 0.00 N ATOM 488 CA PRO A 31 -14.985 -1.792 -1.686 1.00 0.00 C ATOM 489 C PRO A 31 -13.687 -1.028 -1.900 1.00 0.00 C ATOM 490 O PRO A 31 -13.515 0.072 -1.376 1.00 0.00 O ATOM 491 CB PRO A 31 -16.169 -0.982 -2.225 1.00 0.00 C ATOM 492 CG PRO A 31 -16.868 -0.447 -1.020 1.00 0.00 C ATOM 493 CD PRO A 31 -16.610 -1.432 0.081 1.00 0.00 C ATOM 0 HA PRO A 31 -14.850 -2.749 -2.190 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.829 -0.174 -2.873 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.835 -1.608 -2.819 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -16.490 0.541 -0.756 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.937 -0.340 -1.205 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.605 -0.952 1.060 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -17.371 -2.212 0.112 1.00 0.00 H new ATOM 501 N LYS A 32 -12.770 -1.639 -2.644 1.00 0.00 N ATOM 502 CA LYS A 32 -11.538 -0.977 -3.030 1.00 0.00 C ATOM 503 C LYS A 32 -11.863 0.293 -3.808 1.00 0.00 C ATOM 504 O LYS A 32 -12.402 0.228 -4.911 1.00 0.00 O ATOM 505 CB LYS A 32 -10.660 -1.937 -3.847 1.00 0.00 C ATOM 506 CG LYS A 32 -9.348 -1.338 -4.333 1.00 0.00 C ATOM 507 CD LYS A 32 -8.217 -2.348 -4.256 1.00 0.00 C ATOM 508 CE LYS A 32 -7.815 -2.623 -2.813 1.00 0.00 C ATOM 509 NZ LYS A 32 -8.780 -3.507 -2.093 1.00 0.00 N ATOM 0 H LYS A 32 -12.862 -2.594 -2.990 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.976 -0.693 -2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.440 -2.814 -3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.228 -2.282 -4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.462 -0.994 -5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.100 -0.464 -3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.525 -3.278 -4.733 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.356 -1.975 -4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.828 -3.086 -2.799 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.731 -1.676 -2.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.287 -4.008 -1.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.547 -2.930 -1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.180 -4.199 -2.758 1.00 0.00 H new ATOM 523 N PRO A 33 -11.572 1.455 -3.199 1.00 0.00 N ATOM 524 CA PRO A 33 -11.924 2.776 -3.732 1.00 0.00 C ATOM 525 C PRO A 33 -11.558 2.966 -5.199 1.00 0.00 C ATOM 526 O PRO A 33 -10.599 2.376 -5.699 1.00 0.00 O ATOM 527 CB PRO A 33 -11.126 3.738 -2.836 1.00 0.00 C ATOM 528 CG PRO A 33 -10.246 2.902 -2.026 1.00 0.00 C ATOM 529 CD PRO A 33 -10.885 1.585 -1.911 1.00 0.00 C ATOM 0 HA PRO A 33 -13.002 2.938 -3.714 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.550 4.442 -3.436 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.793 4.327 -2.206 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.264 2.814 -2.490 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.095 3.344 -1.041 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.154 0.791 -1.758 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.581 1.543 -1.073 1.00 0.00 H new ATOM 537 N SER A 34 -12.319 3.825 -5.866 1.00 0.00 N ATOM 538 CA SER A 34 -12.152 4.062 -7.291 1.00 0.00 C ATOM 539 C SER A 34 -10.911 4.890 -7.529 1.00 0.00 C ATOM 540 O SER A 34 -10.226 4.754 -8.543 1.00 0.00 O ATOM 541 CB SER A 34 -13.379 4.789 -7.823 1.00 0.00 C ATOM 542 OG SER A 34 -14.048 5.461 -6.766 1.00 0.00 O ATOM 0 H SER A 34 -13.064 4.373 -5.436 1.00 0.00 H new ATOM 0 HA SER A 34 -12.042 3.111 -7.812 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.082 5.506 -8.589 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.055 4.077 -8.297 1.00 0.00 H new ATOM 0 HG SER A 34 -14.694 4.853 -6.349 1.00 0.00 H new ATOM 548 N THR A 35 -10.631 5.744 -6.566 1.00 0.00 N ATOM 549 CA THR A 35 -9.477 6.600 -6.634 1.00 0.00 C ATOM 550 C THR A 35 -8.660 6.473 -5.357 1.00 0.00 C ATOM 551 O THR A 35 -9.209 6.268 -4.272 1.00 0.00 O ATOM 552 CB THR A 35 -9.892 8.068 -6.827 1.00 0.00 C ATOM 553 OG1 THR A 35 -11.132 8.141 -7.545 1.00 0.00 O ATOM 554 CG2 THR A 35 -8.821 8.821 -7.594 1.00 0.00 C ATOM 0 H THR A 35 -11.195 5.860 -5.724 1.00 0.00 H new ATOM 0 HA THR A 35 -8.876 6.290 -7.489 1.00 0.00 H new ATOM 0 HB THR A 35 -10.016 8.523 -5.844 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.388 9.080 -7.661 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.128 9.859 -7.723 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.884 8.786 -7.039 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.681 8.359 -8.571 1.00 0.00 H new ATOM 562 N TRP A 36 -7.350 6.599 -5.493 1.00 0.00 N ATOM 563 CA TRP A 36 -6.444 6.532 -4.355 1.00 0.00 C ATOM 564 C TRP A 36 -6.632 7.748 -3.440 1.00 0.00 C ATOM 565 O TRP A 36 -6.213 7.745 -2.287 1.00 0.00 O ATOM 566 CB TRP A 36 -5.004 6.399 -4.867 1.00 0.00 C ATOM 567 CG TRP A 36 -3.925 6.698 -3.867 1.00 0.00 C ATOM 568 CD1 TRP A 36 -3.008 7.711 -3.939 1.00 0.00 C ATOM 569 CD2 TRP A 36 -3.641 5.982 -2.657 1.00 0.00 C ATOM 570 NE1 TRP A 36 -2.163 7.661 -2.857 1.00 0.00 N ATOM 571 CE2 TRP A 36 -2.535 6.613 -2.054 1.00 0.00 C ATOM 572 CE3 TRP A 36 -4.210 4.869 -2.023 1.00 0.00 C ATOM 573 CZ2 TRP A 36 -1.996 6.172 -0.853 1.00 0.00 C ATOM 574 CZ3 TRP A 36 -3.668 4.434 -0.833 1.00 0.00 C ATOM 575 CH2 TRP A 36 -2.572 5.083 -0.259 1.00 0.00 C ATOM 0 H TRP A 36 -6.886 6.750 -6.389 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.670 5.654 -3.750 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.861 5.383 -5.234 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.878 7.067 -5.719 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.956 8.443 -4.731 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.387 8.298 -2.680 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.058 4.362 -2.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.151 6.672 -0.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.098 3.577 -0.336 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.171 4.717 0.674 1.00 0.00 H new ATOM 586 N ASP A 37 -7.318 8.762 -3.951 1.00 0.00 N ATOM 587 CA ASP A 37 -7.547 9.997 -3.205 1.00 0.00 C ATOM 588 C ASP A 37 -8.412 9.735 -1.965 1.00 0.00 C ATOM 589 O ASP A 37 -8.013 10.037 -0.836 1.00 0.00 O ATOM 590 CB ASP A 37 -8.234 11.011 -4.124 1.00 0.00 C ATOM 591 CG ASP A 37 -7.986 12.449 -3.721 1.00 0.00 C ATOM 592 OD1 ASP A 37 -8.696 12.953 -2.831 1.00 0.00 O ATOM 593 OD2 ASP A 37 -7.100 13.091 -4.325 1.00 0.00 O ATOM 0 H ASP A 37 -7.729 8.755 -4.885 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.590 10.393 -2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.883 10.861 -5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.307 10.821 -4.125 1.00 0.00 H new ATOM 598 N LEU A 38 -9.568 9.101 -2.168 1.00 0.00 N ATOM 599 CA LEU A 38 -10.462 8.780 -1.058 1.00 0.00 C ATOM 600 C LEU A 38 -9.881 7.635 -0.239 1.00 0.00 C ATOM 601 O LEU A 38 -10.084 7.539 0.981 1.00 0.00 O ATOM 602 CB LEU A 38 -11.872 8.418 -1.562 1.00 0.00 C ATOM 603 CG LEU A 38 -11.933 7.425 -2.733 1.00 0.00 C ATOM 604 CD1 LEU A 38 -13.037 6.396 -2.512 1.00 0.00 C ATOM 605 CD2 LEU A 38 -12.186 8.160 -4.039 1.00 0.00 C ATOM 0 H LEU A 38 -9.904 8.802 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.552 9.663 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.439 8.002 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.376 9.336 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.973 6.911 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -13.062 5.703 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.841 5.844 -1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.998 6.905 -2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.226 7.442 -4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.134 8.695 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.379 8.871 -4.219 1.00 0.00 H new ATOM 617 N ALA A 39 -9.116 6.798 -0.923 1.00 0.00 N ATOM 618 CA ALA A 39 -8.488 5.646 -0.310 1.00 0.00 C ATOM 619 C ALA A 39 -7.487 6.091 0.727 1.00 0.00 C ATOM 620 O ALA A 39 -7.511 5.636 1.864 1.00 0.00 O ATOM 621 CB ALA A 39 -7.798 4.814 -1.368 1.00 0.00 C ATOM 0 H ALA A 39 -8.915 6.901 -1.918 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.254 5.042 0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.327 3.949 -0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.531 4.477 -2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.038 5.416 -1.866 1.00 0.00 H new ATOM 627 N SER A 40 -6.624 7.004 0.322 1.00 0.00 N ATOM 628 CA SER A 40 -5.586 7.507 1.193 1.00 0.00 C ATOM 629 C SER A 40 -6.171 8.291 2.363 1.00 0.00 C ATOM 630 O SER A 40 -5.608 8.273 3.457 1.00 0.00 O ATOM 631 CB SER A 40 -4.613 8.376 0.405 1.00 0.00 C ATOM 632 OG SER A 40 -5.264 9.491 -0.173 1.00 0.00 O ATOM 0 H SER A 40 -6.625 7.413 -0.612 1.00 0.00 H new ATOM 0 HA SER A 40 -5.048 6.652 1.602 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.816 8.720 1.064 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.144 7.781 -0.379 1.00 0.00 H new ATOM 0 HG SER A 40 -5.727 9.212 -0.991 1.00 0.00 H new ATOM 638 N LYS A 41 -7.291 8.987 2.137 1.00 0.00 N ATOM 639 CA LYS A 41 -7.965 9.696 3.229 1.00 0.00 C ATOM 640 C LYS A 41 -8.296 8.743 4.370 1.00 0.00 C ATOM 641 O LYS A 41 -7.955 8.996 5.527 1.00 0.00 O ATOM 642 CB LYS A 41 -9.271 10.337 2.765 1.00 0.00 C ATOM 643 CG LYS A 41 -9.128 11.443 1.738 1.00 0.00 C ATOM 644 CD LYS A 41 -10.435 12.217 1.569 1.00 0.00 C ATOM 645 CE LYS A 41 -11.656 11.297 1.533 1.00 0.00 C ATOM 646 NZ LYS A 41 -12.135 10.920 2.898 1.00 0.00 N ATOM 0 H LYS A 41 -7.742 9.074 1.226 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.276 10.471 3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.909 9.558 2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.787 10.739 3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.336 12.126 2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.829 11.017 0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.542 12.927 2.389 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.394 12.798 0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.463 11.792 0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.408 10.393 0.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.892 9.927 3.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.680 11.531 3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.167 11.039 2.949 1.00 0.00 H new ATOM 660 N GLU A 42 -8.943 7.638 4.031 1.00 0.00 N ATOM 661 CA GLU A 42 -9.382 6.678 5.035 1.00 0.00 C ATOM 662 C GLU A 42 -8.233 5.769 5.467 1.00 0.00 C ATOM 663 O GLU A 42 -8.302 5.110 6.504 1.00 0.00 O ATOM 664 CB GLU A 42 -10.547 5.846 4.491 1.00 0.00 C ATOM 665 CG GLU A 42 -11.931 6.363 4.870 1.00 0.00 C ATOM 666 CD GLU A 42 -12.096 7.860 4.690 1.00 0.00 C ATOM 667 OE1 GLU A 42 -12.374 8.312 3.558 1.00 0.00 O ATOM 668 OE2 GLU A 42 -11.964 8.590 5.693 1.00 0.00 O ATOM 0 H GLU A 42 -9.176 7.383 3.071 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.719 7.230 5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.473 5.809 3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.445 4.823 4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.679 5.849 4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.132 6.107 5.910 1.00 0.00 H new ATOM 675 N LEU A 43 -7.170 5.754 4.675 1.00 0.00 N ATOM 676 CA LEU A 43 -6.024 4.897 4.937 1.00 0.00 C ATOM 677 C LEU A 43 -5.055 5.553 5.920 1.00 0.00 C ATOM 678 O LEU A 43 -4.170 4.891 6.465 1.00 0.00 O ATOM 679 CB LEU A 43 -5.290 4.595 3.624 1.00 0.00 C ATOM 680 CG LEU A 43 -4.939 3.127 3.381 1.00 0.00 C ATOM 681 CD1 LEU A 43 -4.235 2.533 4.580 1.00 0.00 C ATOM 682 CD2 LEU A 43 -6.186 2.333 3.051 1.00 0.00 C ATOM 0 H LEU A 43 -7.078 6.331 3.839 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.390 3.971 5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.907 4.943 2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.369 5.178 3.602 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.259 3.077 2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.996 1.488 4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.315 3.085 4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.885 2.597 5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.919 1.290 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.888 2.397 3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.649 2.740 2.152 1.00 0.00 H new ATOM 694 N GLY A 44 -5.228 6.848 6.159 1.00 0.00 N ATOM 695 CA GLY A 44 -4.267 7.583 6.968 1.00 0.00 C ATOM 696 C GLY A 44 -4.421 7.355 8.458 1.00 0.00 C ATOM 697 O GLY A 44 -4.390 8.301 9.248 1.00 0.00 O ATOM 0 H GLY A 44 -6.011 7.401 5.811 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.259 7.296 6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.370 8.648 6.760 1.00 0.00 H new ATOM 701 N GLU A 45 -4.570 6.099 8.840 1.00 0.00 N ATOM 702 CA GLU A 45 -4.574 5.722 10.227 1.00 0.00 C ATOM 703 C GLU A 45 -3.910 4.360 10.415 1.00 0.00 C ATOM 704 O GLU A 45 -3.370 4.074 11.484 1.00 0.00 O ATOM 705 CB GLU A 45 -5.987 5.780 10.833 1.00 0.00 C ATOM 706 CG GLU A 45 -7.049 4.969 10.102 1.00 0.00 C ATOM 707 CD GLU A 45 -6.943 3.482 10.363 1.00 0.00 C ATOM 708 OE1 GLU A 45 -7.012 3.071 11.540 1.00 0.00 O ATOM 709 OE2 GLU A 45 -6.795 2.715 9.390 1.00 0.00 O ATOM 0 H GLU A 45 -4.691 5.320 8.193 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.982 6.452 10.779 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.935 5.432 11.865 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.308 6.821 10.864 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.036 5.316 10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.963 5.151 9.031 1.00 0.00 H new ATOM 716 N SER A 46 -3.925 3.530 9.373 1.00 0.00 N ATOM 717 CA SER A 46 -3.152 2.304 9.385 1.00 0.00 C ATOM 718 C SER A 46 -1.735 2.607 8.925 1.00 0.00 C ATOM 719 O SER A 46 -1.518 3.080 7.810 1.00 0.00 O ATOM 720 CB SER A 46 -3.813 1.247 8.503 1.00 0.00 C ATOM 721 OG SER A 46 -5.029 0.787 9.071 1.00 0.00 O ATOM 0 H SER A 46 -4.461 3.688 8.520 1.00 0.00 H new ATOM 0 HA SER A 46 -3.113 1.902 10.397 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.006 1.664 7.515 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.132 0.407 8.367 1.00 0.00 H new ATOM 0 HG SER A 46 -5.715 1.481 8.981 1.00 0.00 H new ATOM 727 N LEU A 47 -0.769 2.317 9.786 1.00 0.00 N ATOM 728 CA LEU A 47 0.562 2.883 9.654 1.00 0.00 C ATOM 729 C LEU A 47 1.399 2.288 8.528 1.00 0.00 C ATOM 730 O LEU A 47 2.490 2.787 8.274 1.00 0.00 O ATOM 731 CB LEU A 47 1.361 2.855 10.981 1.00 0.00 C ATOM 732 CG LEU A 47 1.150 1.676 11.954 1.00 0.00 C ATOM 733 CD1 LEU A 47 -0.240 1.702 12.575 1.00 0.00 C ATOM 734 CD2 LEU A 47 1.421 0.345 11.272 1.00 0.00 C ATOM 0 H LEU A 47 -0.885 1.692 10.584 1.00 0.00 H new ATOM 0 HA LEU A 47 0.369 3.921 9.383 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.421 2.888 10.728 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.134 3.774 11.522 1.00 0.00 H new ATOM 0 HG LEU A 47 1.871 1.790 12.764 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.351 0.857 13.254 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.374 2.632 13.128 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.991 1.636 11.788 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.264 -0.467 11.983 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.743 0.224 10.427 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.451 0.322 10.916 1.00 0.00 H new ATOM 746 N GLU A 48 0.921 1.271 7.811 1.00 0.00 N ATOM 747 CA GLU A 48 1.745 0.736 6.740 1.00 0.00 C ATOM 748 C GLU A 48 1.677 1.689 5.556 1.00 0.00 C ATOM 749 O GLU A 48 2.566 1.722 4.713 1.00 0.00 O ATOM 750 CB GLU A 48 1.230 -0.639 6.303 1.00 0.00 C ATOM 751 CG GLU A 48 2.293 -1.562 5.743 1.00 0.00 C ATOM 752 CD GLU A 48 3.504 -1.695 6.643 1.00 0.00 C ATOM 753 OE1 GLU A 48 3.347 -2.129 7.800 1.00 0.00 O ATOM 754 OE2 GLU A 48 4.623 -1.366 6.200 1.00 0.00 O ATOM 0 H GLU A 48 0.014 0.823 7.944 1.00 0.00 H new ATOM 0 HA GLU A 48 2.771 0.631 7.093 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.760 -1.125 7.158 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.455 -0.499 5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.859 -2.549 5.581 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.611 -1.190 4.769 1.00 0.00 H new ATOM 761 N TYR A 49 0.669 2.557 5.564 1.00 0.00 N ATOM 762 CA TYR A 49 0.575 3.599 4.548 1.00 0.00 C ATOM 763 C TYR A 49 1.388 4.805 4.976 1.00 0.00 C ATOM 764 O TYR A 49 1.744 5.659 4.162 1.00 0.00 O ATOM 765 CB TYR A 49 -0.914 3.928 4.304 1.00 0.00 C ATOM 766 CG TYR A 49 -1.271 5.383 4.022 1.00 0.00 C ATOM 767 CD1 TYR A 49 -1.216 5.890 2.730 1.00 0.00 C ATOM 768 CD2 TYR A 49 -1.703 6.235 5.040 1.00 0.00 C ATOM 769 CE1 TYR A 49 -1.576 7.199 2.459 1.00 0.00 C ATOM 770 CE2 TYR A 49 -2.059 7.548 4.773 1.00 0.00 C ATOM 771 CZ TYR A 49 -1.997 8.022 3.485 1.00 0.00 C ATOM 772 OH TYR A 49 -2.361 9.323 3.220 1.00 0.00 O ATOM 0 H TYR A 49 -0.084 2.560 6.252 1.00 0.00 H new ATOM 0 HA TYR A 49 0.994 3.260 3.601 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.259 3.327 3.463 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.479 3.606 5.179 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.887 5.252 1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.761 5.865 6.053 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.528 7.576 1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.384 8.195 5.574 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.633 9.763 4.053 1.00 0.00 H new ATOM 782 N LYS A 50 1.741 4.828 6.254 1.00 0.00 N ATOM 783 CA LYS A 50 2.665 5.823 6.764 1.00 0.00 C ATOM 784 C LYS A 50 4.087 5.320 6.614 1.00 0.00 C ATOM 785 O LYS A 50 5.054 6.072 6.756 1.00 0.00 O ATOM 786 CB LYS A 50 2.359 6.103 8.229 1.00 0.00 C ATOM 787 CG LYS A 50 2.145 7.570 8.539 1.00 0.00 C ATOM 788 CD LYS A 50 1.848 7.787 10.012 1.00 0.00 C ATOM 789 CE LYS A 50 0.645 6.979 10.470 1.00 0.00 C ATOM 790 NZ LYS A 50 0.055 7.539 11.715 1.00 0.00 N ATOM 0 H LYS A 50 1.400 4.168 6.953 1.00 0.00 H new ATOM 0 HA LYS A 50 2.554 6.747 6.197 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.467 5.546 8.517 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.180 5.728 8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.033 8.136 8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.319 7.954 7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.720 7.508 10.604 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.665 8.846 10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.108 6.967 9.682 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.944 5.945 10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.764 6.964 12.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.767 7.527 12.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.252 8.518 11.544 1.00 0.00 H new ATOM 804 N ALA A 51 4.198 4.035 6.306 1.00 0.00 N ATOM 805 CA ALA A 51 5.486 3.388 6.170 1.00 0.00 C ATOM 806 C ALA A 51 5.971 3.556 4.755 1.00 0.00 C ATOM 807 O ALA A 51 7.062 3.130 4.384 1.00 0.00 O ATOM 808 CB ALA A 51 5.368 1.923 6.536 1.00 0.00 C ATOM 0 H ALA A 51 3.401 3.419 6.145 1.00 0.00 H new ATOM 0 HA ALA A 51 6.208 3.845 6.846 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.341 1.442 6.431 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.027 1.832 7.567 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.651 1.439 5.873 1.00 0.00 H new ATOM 814 N LEU A 52 5.126 4.202 3.982 1.00 0.00 N ATOM 815 CA LEU A 52 5.215 4.185 2.546 1.00 0.00 C ATOM 816 C LEU A 52 4.978 5.598 2.025 1.00 0.00 C ATOM 817 O LEU A 52 4.500 5.802 0.910 1.00 0.00 O ATOM 818 CB LEU A 52 4.154 3.202 2.037 1.00 0.00 C ATOM 819 CG LEU A 52 4.406 2.606 0.670 1.00 0.00 C ATOM 820 CD1 LEU A 52 5.762 1.933 0.636 1.00 0.00 C ATOM 821 CD2 LEU A 52 3.315 1.609 0.325 1.00 0.00 C ATOM 0 H LEU A 52 4.351 4.759 4.341 1.00 0.00 H new ATOM 0 HA LEU A 52 6.196 3.864 2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.066 2.388 2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.192 3.714 2.017 1.00 0.00 H new ATOM 0 HG LEU A 52 4.395 3.406 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.932 1.508 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.538 2.667 0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.793 1.139 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.507 1.186 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.305 0.810 1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.349 2.114 0.322 1.00 0.00 H new ATOM 833 N GLY A 53 5.336 6.569 2.865 1.00 0.00 N ATOM 834 CA GLY A 53 5.068 7.968 2.579 1.00 0.00 C ATOM 835 C GLY A 53 5.874 8.525 1.423 1.00 0.00 C ATOM 836 O GLY A 53 5.320 9.179 0.541 1.00 0.00 O ATOM 0 H GLY A 53 5.814 6.406 3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.007 8.087 2.360 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.277 8.557 3.472 1.00 0.00 H new ATOM 840 N ASP A 54 7.177 8.280 1.414 1.00 0.00 N ATOM 841 CA ASP A 54 8.026 8.792 0.344 1.00 0.00 C ATOM 842 C ASP A 54 7.935 7.871 -0.862 1.00 0.00 C ATOM 843 O ASP A 54 8.110 8.288 -2.010 1.00 0.00 O ATOM 844 CB ASP A 54 9.473 8.918 0.815 1.00 0.00 C ATOM 845 CG ASP A 54 10.330 9.684 -0.172 1.00 0.00 C ATOM 846 OD1 ASP A 54 10.347 10.932 -0.104 1.00 0.00 O ATOM 847 OD2 ASP A 54 10.992 9.047 -1.018 1.00 0.00 O ATOM 0 H ASP A 54 7.666 7.737 2.126 1.00 0.00 H new ATOM 0 HA ASP A 54 7.678 9.786 0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.496 9.421 1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.893 7.923 0.963 1.00 0.00 H new ATOM 852 N GLU A 55 7.613 6.618 -0.573 1.00 0.00 N ATOM 853 CA GLU A 55 7.351 5.603 -1.586 1.00 0.00 C ATOM 854 C GLU A 55 5.951 5.816 -2.174 1.00 0.00 C ATOM 855 O GLU A 55 5.379 4.908 -2.776 1.00 0.00 O ATOM 856 CB GLU A 55 7.408 4.199 -0.957 1.00 0.00 C ATOM 857 CG GLU A 55 8.761 3.745 -0.384 1.00 0.00 C ATOM 858 CD GLU A 55 9.433 4.763 0.518 1.00 0.00 C ATOM 859 OE1 GLU A 55 8.828 5.159 1.540 1.00 0.00 O ATOM 860 OE2 GLU A 55 10.578 5.157 0.225 1.00 0.00 O ATOM 0 H GLU A 55 7.525 6.273 0.383 1.00 0.00 H new ATOM 0 HA GLU A 55 8.107 5.686 -2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.670 4.156 -0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.101 3.476 -1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.613 2.822 0.177 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.432 3.511 -1.211 1.00 0.00 H new ATOM 867 N ASP A 56 5.421 7.031 -1.999 1.00 0.00 N ATOM 868 CA ASP A 56 4.043 7.371 -2.373 1.00 0.00 C ATOM 869 C ASP A 56 3.674 6.896 -3.766 1.00 0.00 C ATOM 870 O ASP A 56 2.625 6.291 -3.936 1.00 0.00 O ATOM 871 CB ASP A 56 3.798 8.879 -2.284 1.00 0.00 C ATOM 872 CG ASP A 56 2.522 9.299 -2.994 1.00 0.00 C ATOM 873 OD1 ASP A 56 1.432 8.820 -2.612 1.00 0.00 O ATOM 874 OD2 ASP A 56 2.617 10.099 -3.945 1.00 0.00 O ATOM 0 H ASP A 56 5.938 7.810 -1.592 1.00 0.00 H new ATOM 0 HA ASP A 56 3.409 6.849 -1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.742 9.175 -1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.645 9.409 -2.720 1.00 0.00 H new ATOM 879 N ASN A 57 4.535 7.125 -4.754 1.00 0.00 N ATOM 880 CA ASN A 57 4.180 6.813 -6.137 1.00 0.00 C ATOM 881 C ASN A 57 4.071 5.307 -6.322 1.00 0.00 C ATOM 882 O ASN A 57 3.236 4.819 -7.092 1.00 0.00 O ATOM 883 CB ASN A 57 5.180 7.436 -7.126 1.00 0.00 C ATOM 884 CG ASN A 57 6.578 7.588 -6.553 1.00 0.00 C ATOM 885 OD1 ASN A 57 7.299 8.528 -6.888 1.00 0.00 O ATOM 886 ND2 ASN A 57 6.975 6.662 -5.699 1.00 0.00 N ATOM 0 H ASN A 57 5.468 7.518 -4.628 1.00 0.00 H new ATOM 0 HA ASN A 57 3.206 7.253 -6.352 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.228 6.817 -8.022 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.813 8.415 -7.434 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.909 6.710 -5.292 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.348 5.898 -5.447 1.00 0.00 H new ATOM 893 N ILE A 58 4.877 4.570 -5.567 1.00 0.00 N ATOM 894 CA ILE A 58 4.762 3.130 -5.525 1.00 0.00 C ATOM 895 C ILE A 58 3.413 2.799 -4.905 1.00 0.00 C ATOM 896 O ILE A 58 2.586 2.132 -5.510 1.00 0.00 O ATOM 897 CB ILE A 58 5.911 2.500 -4.681 1.00 0.00 C ATOM 898 CG1 ILE A 58 7.195 2.320 -5.507 1.00 0.00 C ATOM 899 CG2 ILE A 58 5.493 1.166 -4.078 1.00 0.00 C ATOM 900 CD1 ILE A 58 7.739 3.586 -6.121 1.00 0.00 C ATOM 0 H ILE A 58 5.616 4.953 -4.977 1.00 0.00 H new ATOM 0 HA ILE A 58 4.839 2.720 -6.532 1.00 0.00 H new ATOM 0 HB ILE A 58 6.120 3.199 -3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.963 1.885 -4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.999 1.602 -6.304 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.318 0.755 -3.496 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.630 1.315 -3.429 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.231 0.472 -4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.644 3.358 -6.683 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.994 4.015 -6.791 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.972 4.302 -5.333 1.00 0.00 H new ATOM 912 N ARG A 59 3.188 3.399 -3.742 1.00 0.00 N ATOM 913 CA ARG A 59 2.005 3.177 -2.914 1.00 0.00 C ATOM 914 C ARG A 59 0.687 3.445 -3.659 1.00 0.00 C ATOM 915 O ARG A 59 -0.194 2.584 -3.686 1.00 0.00 O ATOM 916 CB ARG A 59 2.137 4.084 -1.702 1.00 0.00 C ATOM 917 CG ARG A 59 0.900 4.203 -0.845 1.00 0.00 C ATOM 918 CD ARG A 59 1.163 5.135 0.289 1.00 0.00 C ATOM 919 NE ARG A 59 1.283 6.480 -0.211 1.00 0.00 N ATOM 920 CZ ARG A 59 1.494 7.530 0.532 1.00 0.00 C ATOM 921 NH1 ARG A 59 1.733 7.419 1.833 1.00 0.00 N ATOM 922 NH2 ARG A 59 1.485 8.701 -0.046 1.00 0.00 N ATOM 0 H ARG A 59 3.839 4.071 -3.337 1.00 0.00 H new ATOM 0 HA ARG A 59 1.960 2.127 -2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.954 3.716 -1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.419 5.080 -2.044 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.065 4.569 -1.443 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.614 3.223 -0.464 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.353 5.077 1.016 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.077 4.845 0.807 1.00 0.00 H new ATOM 0 HE ARG A 59 1.197 6.621 -1.218 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.754 6.498 2.271 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.895 8.255 2.395 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.316 8.773 -1.049 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.647 9.543 0.506 1.00 0.00 H new ATOM 936 N ARG A 60 0.556 4.631 -4.268 1.00 0.00 N ATOM 937 CA ARG A 60 -0.617 4.950 -5.078 1.00 0.00 C ATOM 938 C ARG A 60 -0.790 3.941 -6.204 1.00 0.00 C ATOM 939 O ARG A 60 -1.909 3.530 -6.510 1.00 0.00 O ATOM 940 CB ARG A 60 -0.518 6.364 -5.672 1.00 0.00 C ATOM 941 CG ARG A 60 0.877 6.719 -6.153 1.00 0.00 C ATOM 942 CD ARG A 60 0.891 7.732 -7.284 1.00 0.00 C ATOM 943 NE ARG A 60 -0.449 8.135 -7.693 1.00 0.00 N ATOM 944 CZ ARG A 60 -0.966 9.324 -7.433 1.00 0.00 C ATOM 945 NH1 ARG A 60 -0.252 10.242 -6.787 1.00 0.00 N ATOM 946 NH2 ARG A 60 -2.191 9.603 -7.831 1.00 0.00 N ATOM 0 H ARG A 60 1.247 5.379 -4.213 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.485 4.906 -4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.215 6.449 -6.506 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.831 7.089 -4.920 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.451 7.114 -5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.380 5.811 -6.484 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.451 8.613 -6.971 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.416 7.308 -8.140 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.019 7.463 -8.208 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.700 10.031 -6.489 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.657 11.157 -6.590 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.735 8.904 -8.337 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.595 10.518 -7.633 1.00 0.00 H new ATOM 960 N GLN A 61 0.318 3.523 -6.807 1.00 0.00 N ATOM 961 CA GLN A 61 0.241 2.642 -7.957 1.00 0.00 C ATOM 962 C GLN A 61 -0.138 1.219 -7.557 1.00 0.00 C ATOM 963 O GLN A 61 -0.956 0.594 -8.230 1.00 0.00 O ATOM 964 CB GLN A 61 1.552 2.652 -8.750 1.00 0.00 C ATOM 965 CG GLN A 61 1.453 1.927 -10.087 1.00 0.00 C ATOM 966 CD GLN A 61 0.129 2.181 -10.796 1.00 0.00 C ATOM 967 OE1 GLN A 61 -0.361 1.336 -11.543 1.00 0.00 O ATOM 968 NE2 GLN A 61 -0.458 3.350 -10.561 1.00 0.00 N ATOM 0 H GLN A 61 1.264 3.777 -6.521 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.551 3.024 -8.601 1.00 0.00 H new ATOM 0 HB2 GLN A 61 1.854 3.684 -8.926 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.335 2.188 -8.150 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.272 2.247 -10.731 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.574 0.856 -9.925 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.019 4.024 -9.934 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.348 3.573 -11.007 1.00 0.00 H new ATOM 977 N ILE A 62 0.435 0.693 -6.468 1.00 0.00 N ATOM 978 CA ILE A 62 0.079 -0.662 -6.056 1.00 0.00 C ATOM 979 C ILE A 62 -1.395 -0.724 -5.713 1.00 0.00 C ATOM 980 O ILE A 62 -2.106 -1.574 -6.231 1.00 0.00 O ATOM 981 CB ILE A 62 0.888 -1.239 -4.866 1.00 0.00 C ATOM 982 CG1 ILE A 62 1.931 -0.274 -4.336 1.00 0.00 C ATOM 983 CG2 ILE A 62 1.569 -2.523 -5.296 1.00 0.00 C ATOM 984 CD1 ILE A 62 2.428 -0.634 -2.956 1.00 0.00 C ATOM 0 H ILE A 62 1.120 1.166 -5.879 1.00 0.00 H new ATOM 0 HA ILE A 62 0.330 -1.284 -6.916 1.00 0.00 H new ATOM 0 HB ILE A 62 0.180 -1.425 -4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.776 -0.248 -5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.509 0.731 -4.312 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.138 -2.930 -4.461 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.817 -3.247 -5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.243 -2.317 -6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.172 0.096 -2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.592 -0.632 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.879 -1.626 -2.979 1.00 0.00 H new ATOM 996 N PHE A 63 -1.858 0.202 -4.874 1.00 0.00 N ATOM 997 CA PHE A 63 -3.259 0.220 -4.463 1.00 0.00 C ATOM 998 C PHE A 63 -4.184 0.202 -5.671 1.00 0.00 C ATOM 999 O PHE A 63 -5.122 -0.595 -5.751 1.00 0.00 O ATOM 1000 CB PHE A 63 -3.569 1.441 -3.606 1.00 0.00 C ATOM 1001 CG PHE A 63 -5.028 1.811 -3.635 1.00 0.00 C ATOM 1002 CD1 PHE A 63 -5.968 1.015 -3.002 1.00 0.00 C ATOM 1003 CD2 PHE A 63 -5.469 2.931 -4.330 1.00 0.00 C ATOM 1004 CE1 PHE A 63 -7.310 1.322 -3.055 1.00 0.00 C ATOM 1005 CE2 PHE A 63 -6.815 3.235 -4.390 1.00 0.00 C ATOM 1006 CZ PHE A 63 -7.733 2.433 -3.750 1.00 0.00 C ATOM 0 H PHE A 63 -1.287 0.944 -4.469 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.430 -0.678 -3.870 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.268 1.244 -2.577 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.976 2.286 -3.956 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.644 0.140 -2.458 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.753 3.569 -4.827 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.029 0.692 -2.552 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.148 4.103 -4.940 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.785 2.675 -3.793 1.00 0.00 H new ATOM 1016 N GLU A 64 -3.897 1.099 -6.591 1.00 0.00 N ATOM 1017 CA GLU A 64 -4.671 1.267 -7.808 1.00 0.00 C ATOM 1018 C GLU A 64 -4.785 -0.061 -8.570 1.00 0.00 C ATOM 1019 O GLU A 64 -5.871 -0.459 -8.996 1.00 0.00 O ATOM 1020 CB GLU A 64 -3.973 2.334 -8.659 1.00 0.00 C ATOM 1021 CG GLU A 64 -4.814 2.948 -9.764 1.00 0.00 C ATOM 1022 CD GLU A 64 -4.104 4.121 -10.416 1.00 0.00 C ATOM 1023 OE1 GLU A 64 -3.130 3.892 -11.167 1.00 0.00 O ATOM 1024 OE2 GLU A 64 -4.490 5.281 -10.156 1.00 0.00 O ATOM 0 H GLU A 64 -3.109 1.742 -6.516 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.687 1.583 -7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.633 3.133 -8.000 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.084 1.890 -9.108 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.036 2.192 -10.517 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.768 3.280 -9.355 1.00 0.00 H new ATOM 1031 N ASP A 65 -3.653 -0.734 -8.740 1.00 0.00 N ATOM 1032 CA ASP A 65 -3.591 -1.986 -9.494 1.00 0.00 C ATOM 1033 C ASP A 65 -3.931 -3.230 -8.647 1.00 0.00 C ATOM 1034 O ASP A 65 -4.015 -4.328 -9.187 1.00 0.00 O ATOM 1035 CB ASP A 65 -2.216 -2.146 -10.146 1.00 0.00 C ATOM 1036 CG ASP A 65 -2.236 -3.132 -11.299 1.00 0.00 C ATOM 1037 OD1 ASP A 65 -2.917 -2.847 -12.311 1.00 0.00 O ATOM 1038 OD2 ASP A 65 -1.576 -4.185 -11.205 1.00 0.00 O ATOM 0 H ASP A 65 -2.755 -0.431 -8.362 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.359 -1.920 -10.265 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.872 -1.176 -10.506 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.498 -2.481 -9.397 1.00 0.00 H new ATOM 1043 N PHE A 66 -4.102 -3.063 -7.328 1.00 0.00 N ATOM 1044 CA PHE A 66 -4.222 -4.200 -6.402 1.00 0.00 C ATOM 1045 C PHE A 66 -5.292 -5.207 -6.829 1.00 0.00 C ATOM 1046 O PHE A 66 -5.019 -6.394 -6.971 1.00 0.00 O ATOM 1047 CB PHE A 66 -4.588 -3.674 -5.016 1.00 0.00 C ATOM 1048 CG PHE A 66 -3.434 -3.333 -4.121 1.00 0.00 C ATOM 1049 CD1 PHE A 66 -2.157 -3.810 -4.367 1.00 0.00 C ATOM 1050 CD2 PHE A 66 -3.645 -2.544 -3.005 1.00 0.00 C ATOM 1051 CE1 PHE A 66 -1.113 -3.498 -3.514 1.00 0.00 C ATOM 1052 CE2 PHE A 66 -2.610 -2.229 -2.150 1.00 0.00 C ATOM 1053 CZ PHE A 66 -1.341 -2.706 -2.404 1.00 0.00 C ATOM 0 H PHE A 66 -4.161 -2.150 -6.877 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.261 -4.715 -6.401 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.205 -2.783 -5.137 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.203 -4.422 -4.515 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.975 -4.431 -5.232 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.637 -2.168 -2.800 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.120 -3.873 -3.715 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.793 -1.610 -1.284 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.527 -2.461 -1.737 1.00 0.00 H new ATOM 1063 N LYS A 67 -6.495 -4.694 -7.034 1.00 0.00 N ATOM 1064 CA LYS A 67 -7.659 -5.470 -7.482 1.00 0.00 C ATOM 1065 C LYS A 67 -8.134 -6.492 -6.440 1.00 0.00 C ATOM 1066 O LYS A 67 -7.451 -7.469 -6.144 1.00 0.00 O ATOM 1067 CB LYS A 67 -7.392 -6.159 -8.832 1.00 0.00 C ATOM 1068 CG LYS A 67 -6.797 -5.234 -9.888 1.00 0.00 C ATOM 1069 CD LYS A 67 -7.640 -3.983 -10.099 1.00 0.00 C ATOM 1070 CE LYS A 67 -8.593 -4.137 -11.271 1.00 0.00 C ATOM 1071 NZ LYS A 67 -7.915 -3.897 -12.575 1.00 0.00 N ATOM 0 H LYS A 67 -6.702 -3.705 -6.893 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.467 -4.750 -7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.714 -6.998 -8.673 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.327 -6.572 -9.210 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.790 -4.945 -9.589 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.707 -5.773 -10.831 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.209 -3.771 -9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.986 -3.129 -10.272 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.019 -5.140 -11.263 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.422 -3.438 -11.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.600 -4.012 -13.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.530 -2.931 -12.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.140 -4.580 -12.694 1.00 0.00 H new ATOM 1085 N PRO A 68 -9.326 -6.232 -5.861 1.00 0.00 N ATOM 1086 CA PRO A 68 -9.999 -7.113 -4.881 1.00 0.00 C ATOM 1087 C PRO A 68 -10.296 -8.533 -5.362 1.00 0.00 C ATOM 1088 O PRO A 68 -9.491 -9.189 -6.020 1.00 0.00 O ATOM 1089 CB PRO A 68 -11.353 -6.426 -4.648 1.00 0.00 C ATOM 1090 CG PRO A 68 -11.482 -5.418 -5.738 1.00 0.00 C ATOM 1091 CD PRO A 68 -10.103 -5.002 -6.070 1.00 0.00 C ATOM 0 HA PRO A 68 -9.348 -7.232 -4.015 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.170 -7.147 -4.682 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.388 -5.951 -3.668 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.981 -5.845 -6.608 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.080 -4.566 -5.414 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.025 -4.646 -7.097 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.759 -4.193 -5.425 1.00 0.00 H new ATOM 1099 N GLU A 69 -11.496 -8.972 -4.987 1.00 0.00 N ATOM 1100 CA GLU A 69 -11.982 -10.331 -5.228 1.00 0.00 C ATOM 1101 C GLU A 69 -11.056 -11.347 -4.579 1.00 0.00 C ATOM 1102 O GLU A 69 -10.668 -12.325 -5.249 1.00 0.00 O ATOM 1103 CB GLU A 69 -12.114 -10.622 -6.727 1.00 0.00 C ATOM 1104 CG GLU A 69 -13.541 -10.891 -7.190 1.00 0.00 C ATOM 1105 CD GLU A 69 -14.140 -12.164 -6.609 1.00 0.00 C ATOM 1106 OE1 GLU A 69 -13.700 -13.268 -6.990 1.00 0.00 O ATOM 1107 OE2 GLU A 69 -15.085 -12.070 -5.796 1.00 0.00 O ATOM 1108 OXT GLU A 69 -10.704 -11.150 -3.398 1.00 0.00 O ATOM 0 H GLU A 69 -12.171 -8.383 -4.498 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.973 -10.413 -4.780 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.717 -9.775 -7.286 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.496 -11.485 -6.974 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.170 -10.044 -6.913 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.555 -10.956 -8.278 1.00 0.00 H new TER 1115 GLU A 69