USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 584 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 37 CYS SG : rot 130:sc= -1.35! USER MOD Set 1.2: A 41 GLN : amide:sc= -4.66! C(o=-6!,f=-4.6!) USER MOD Single : A 3 SER OG : rot -71:sc= 0.623 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -121:sc= -1.05 (180deg=-4.31!) USER MOD Single : A 8 ASN : amide:sc= -1.69 K(o=-1.7,f=-12!) USER MOD Single : A 10 LYS NZ :NH3+ -122:sc= -1.78 (180deg=-2.09!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00944) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -3.57 K(o=-3.6,f=-4.4!) USER MOD Single : A 23 THR OG1 : rot 79:sc= 1.15 USER MOD Single : A 27 THR OG1 : rot -160:sc= -3.12! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 57:sc= -2.24! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -3.58! C(o=-3.6!,f=-5.3!) USER MOD Single : A 34 SER OG : rot 160:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 169:sc= -3.05! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -53:sc= 0.131 USER MOD Single : A 49 LYS NZ :NH3+ 158:sc= -2.07! (180deg=-2.77!) USER MOD Single : A 52 GLN : amide:sc= -4.42! C(o=-4.4!,f=-6.2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot -19:sc= -4.07! USER MOD Single : A 63 LYS NZ :NH3+ -129:sc= -5.96! (180deg=-6.93!) USER MOD Single : A 67 GLN : amide:sc= -1.18! K(o=-1.2!,f=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -0.781 -18.152 1.639 1.00 0.00 N ATOM 21 CA VAL A 2 -0.117 -17.669 0.430 1.00 0.00 C ATOM 22 C VAL A 2 0.968 -16.663 0.787 1.00 0.00 C ATOM 23 O VAL A 2 0.735 -15.703 1.520 1.00 0.00 O ATOM 24 CB VAL A 2 -1.149 -17.049 -0.538 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.540 -17.061 0.100 1.00 0.00 C ATOM 26 CG2 VAL A 2 -0.777 -15.601 -0.892 1.00 0.00 C ATOM 0 HA VAL A 2 0.355 -18.513 -0.072 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.150 -17.647 -1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.261 -16.622 -0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.830 -18.088 0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.522 -16.482 1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.521 -15.191 -1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.748 -15.000 0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.202 -15.583 -1.370 1.00 0.00 H new ATOM 36 N SER A 3 2.152 -16.900 0.246 1.00 0.00 N ATOM 37 CA SER A 3 3.295 -16.027 0.475 1.00 0.00 C ATOM 38 C SER A 3 3.475 -15.109 -0.723 1.00 0.00 C ATOM 39 O SER A 3 3.335 -15.541 -1.866 1.00 0.00 O ATOM 40 CB SER A 3 4.560 -16.862 0.680 1.00 0.00 C ATOM 41 OG SER A 3 4.298 -17.889 1.627 1.00 0.00 O ATOM 0 H SER A 3 2.349 -17.696 -0.360 1.00 0.00 H new ATOM 0 HA SER A 3 3.118 -15.430 1.370 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.879 -17.298 -0.267 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.375 -16.228 1.030 1.00 0.00 H new ATOM 0 HG SER A 3 4.200 -17.494 2.519 1.00 0.00 H new ATOM 47 N LEU A 4 3.767 -13.842 -0.468 1.00 0.00 N ATOM 48 CA LEU A 4 3.940 -12.885 -1.553 1.00 0.00 C ATOM 49 C LEU A 4 5.196 -12.057 -1.363 1.00 0.00 C ATOM 50 O LEU A 4 5.870 -12.143 -0.339 1.00 0.00 O ATOM 51 CB LEU A 4 2.732 -11.952 -1.626 1.00 0.00 C ATOM 52 CG LEU A 4 1.467 -12.786 -1.815 1.00 0.00 C ATOM 53 CD1 LEU A 4 0.237 -11.892 -1.635 1.00 0.00 C ATOM 54 CD2 LEU A 4 1.457 -13.416 -3.217 1.00 0.00 C ATOM 0 H LEU A 4 3.888 -13.455 0.468 1.00 0.00 H new ATOM 0 HA LEU A 4 4.031 -13.449 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.659 -11.359 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.847 -11.251 -2.453 1.00 0.00 H new ATOM 0 HG LEU A 4 1.446 -13.583 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.667 -12.486 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.243 -11.462 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.258 -11.091 -2.374 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.551 -14.009 -3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.483 -12.628 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.330 -14.058 -3.334 1.00 0.00 H new ATOM 66 N THR A 5 5.490 -11.250 -2.370 1.00 0.00 N ATOM 67 CA THR A 5 6.664 -10.384 -2.333 1.00 0.00 C ATOM 68 C THR A 5 6.322 -8.995 -2.848 1.00 0.00 C ATOM 69 O THR A 5 5.941 -8.829 -4.007 1.00 0.00 O ATOM 70 CB THR A 5 7.792 -10.968 -3.191 1.00 0.00 C ATOM 71 OG1 THR A 5 8.432 -12.017 -2.477 1.00 0.00 O ATOM 72 CG2 THR A 5 8.815 -9.869 -3.519 1.00 0.00 C ATOM 0 H THR A 5 4.935 -11.175 -3.222 1.00 0.00 H new ATOM 0 HA THR A 5 6.993 -10.316 -1.296 1.00 0.00 H new ATOM 0 HB THR A 5 7.376 -11.360 -4.119 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.153 -12.393 -3.024 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.616 -10.287 -4.129 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.323 -9.066 -4.067 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.233 -9.473 -2.593 1.00 0.00 H new ATOM 80 N PHE A 6 6.481 -7.998 -1.989 1.00 0.00 N ATOM 81 CA PHE A 6 6.206 -6.625 -2.383 1.00 0.00 C ATOM 82 C PHE A 6 7.513 -5.921 -2.734 1.00 0.00 C ATOM 83 O PHE A 6 8.400 -5.782 -1.892 1.00 0.00 O ATOM 84 CB PHE A 6 5.477 -5.900 -1.254 1.00 0.00 C ATOM 85 CG PHE A 6 4.106 -6.513 -1.099 1.00 0.00 C ATOM 86 CD1 PHE A 6 3.957 -7.730 -0.421 1.00 0.00 C ATOM 87 CD2 PHE A 6 2.987 -5.876 -1.644 1.00 0.00 C ATOM 88 CE1 PHE A 6 2.689 -8.305 -0.287 1.00 0.00 C ATOM 89 CE2 PHE A 6 1.718 -6.452 -1.508 1.00 0.00 C ATOM 90 CZ PHE A 6 1.570 -7.667 -0.830 1.00 0.00 C ATOM 0 H PHE A 6 6.795 -8.112 -1.025 1.00 0.00 H new ATOM 0 HA PHE A 6 5.564 -6.616 -3.264 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.038 -5.986 -0.324 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.394 -4.837 -1.478 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.821 -8.224 -0.002 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.101 -4.940 -2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.574 -9.243 0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.853 -5.958 -1.926 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.591 -8.112 -0.726 1.00 0.00 H new ATOM 100 N LYS A 7 7.639 -5.515 -3.998 1.00 0.00 N ATOM 101 CA LYS A 7 8.857 -4.862 -4.475 1.00 0.00 C ATOM 102 C LYS A 7 8.693 -3.348 -4.577 1.00 0.00 C ATOM 103 O LYS A 7 7.636 -2.844 -4.956 1.00 0.00 O ATOM 104 CB LYS A 7 9.228 -5.420 -5.854 1.00 0.00 C ATOM 105 CG LYS A 7 9.962 -6.760 -5.699 1.00 0.00 C ATOM 106 CD LYS A 7 11.478 -6.525 -5.661 1.00 0.00 C ATOM 107 CE LYS A 7 12.026 -6.433 -7.088 1.00 0.00 C ATOM 108 NZ LYS A 7 13.510 -6.290 -7.043 1.00 0.00 N ATOM 0 H LYS A 7 6.915 -5.627 -4.707 1.00 0.00 H new ATOM 0 HA LYS A 7 9.646 -5.067 -3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.328 -5.556 -6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.861 -4.709 -6.385 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.639 -7.257 -4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.709 -7.421 -6.528 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.699 -5.607 -5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.968 -7.338 -5.126 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.753 -7.325 -7.652 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.583 -5.581 -7.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.788 -5.406 -7.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.827 -6.269 -6.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.951 -7.096 -7.531 1.00 0.00 H new ATOM 122 N ASN A 8 9.768 -2.636 -4.255 1.00 0.00 N ATOM 123 CA ASN A 8 9.775 -1.177 -4.324 1.00 0.00 C ATOM 124 C ASN A 8 10.669 -0.715 -5.471 1.00 0.00 C ATOM 125 O ASN A 8 11.029 -1.505 -6.345 1.00 0.00 O ATOM 126 CB ASN A 8 10.296 -0.594 -3.010 1.00 0.00 C ATOM 127 CG ASN A 8 11.657 -1.194 -2.674 1.00 0.00 C ATOM 128 OD1 ASN A 8 12.245 -1.898 -3.495 1.00 0.00 O ATOM 129 ND2 ASN A 8 12.196 -0.957 -1.510 1.00 0.00 N ATOM 0 H ASN A 8 10.648 -3.046 -3.943 1.00 0.00 H new ATOM 0 HA ASN A 8 8.756 -0.829 -4.495 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.378 0.490 -3.091 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.590 -0.801 -2.206 1.00 0.00 H new ATOM 0 HD21 ASN A 8 13.106 -1.355 -1.279 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.707 -0.373 -0.831 1.00 0.00 H new ATOM 136 N PHE A 9 11.031 0.564 -5.462 1.00 0.00 N ATOM 137 CA PHE A 9 11.890 1.111 -6.506 1.00 0.00 C ATOM 138 C PHE A 9 13.357 0.822 -6.200 1.00 0.00 C ATOM 139 O PHE A 9 14.229 1.026 -7.043 1.00 0.00 O ATOM 140 CB PHE A 9 11.678 2.621 -6.625 1.00 0.00 C ATOM 141 CG PHE A 9 12.204 3.306 -5.384 1.00 0.00 C ATOM 142 CD1 PHE A 9 11.443 3.308 -4.209 1.00 0.00 C ATOM 143 CD2 PHE A 9 13.452 3.942 -5.412 1.00 0.00 C ATOM 144 CE1 PHE A 9 11.931 3.943 -3.061 1.00 0.00 C ATOM 145 CE2 PHE A 9 13.939 4.577 -4.264 1.00 0.00 C ATOM 146 CZ PHE A 9 13.179 4.579 -3.088 1.00 0.00 C ATOM 0 H PHE A 9 10.746 1.236 -4.750 1.00 0.00 H new ATOM 0 HA PHE A 9 11.627 0.635 -7.450 1.00 0.00 H new ATOM 0 HB2 PHE A 9 12.191 3.002 -7.508 1.00 0.00 H new ATOM 0 HB3 PHE A 9 10.618 2.841 -6.752 1.00 0.00 H new ATOM 0 HD1 PHE A 9 10.480 2.820 -4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 9 14.038 3.942 -6.319 1.00 0.00 H new ATOM 0 HE1 PHE A 9 11.345 3.943 -2.154 1.00 0.00 H new ATOM 0 HE2 PHE A 9 14.902 5.066 -4.285 1.00 0.00 H new ATOM 0 HZ PHE A 9 13.555 5.070 -2.203 1.00 0.00 H new ATOM 156 N LYS A 10 13.618 0.343 -4.987 1.00 0.00 N ATOM 157 CA LYS A 10 14.973 0.026 -4.571 1.00 0.00 C ATOM 158 C LYS A 10 15.299 -1.413 -4.929 1.00 0.00 C ATOM 159 O LYS A 10 16.275 -1.989 -4.450 1.00 0.00 O ATOM 160 CB LYS A 10 15.096 0.225 -3.059 1.00 0.00 C ATOM 161 CG LYS A 10 15.356 1.705 -2.750 1.00 0.00 C ATOM 162 CD LYS A 10 16.847 1.920 -2.493 1.00 0.00 C ATOM 163 CE LYS A 10 17.653 1.574 -3.750 1.00 0.00 C ATOM 164 NZ LYS A 10 17.242 2.469 -4.868 1.00 0.00 N ATOM 0 H LYS A 10 12.906 0.167 -4.278 1.00 0.00 H new ATOM 0 HA LYS A 10 15.674 0.685 -5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.182 -0.104 -2.564 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.909 -0.386 -2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.027 2.324 -3.584 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.778 2.012 -1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.029 2.956 -2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 10 17.174 1.298 -1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 10 18.719 1.687 -3.553 1.00 0.00 H new ATOM 0 HE3 LYS A 10 17.488 0.532 -4.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.903 1.895 -5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 16.480 3.099 -4.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 18.056 3.039 -5.173 1.00 0.00 H new ATOM 178 N LYS A 11 14.460 -1.979 -5.774 1.00 0.00 N ATOM 179 CA LYS A 11 14.628 -3.354 -6.214 1.00 0.00 C ATOM 180 C LYS A 11 14.746 -4.297 -5.019 1.00 0.00 C ATOM 181 O LYS A 11 15.440 -5.312 -5.083 1.00 0.00 O ATOM 182 CB LYS A 11 15.874 -3.479 -7.094 1.00 0.00 C ATOM 183 CG LYS A 11 15.881 -2.361 -8.139 1.00 0.00 C ATOM 184 CD LYS A 11 14.666 -2.507 -9.060 1.00 0.00 C ATOM 185 CE LYS A 11 14.903 -1.720 -10.351 1.00 0.00 C ATOM 186 NZ LYS A 11 13.666 -1.747 -11.183 1.00 0.00 N ATOM 0 H LYS A 11 13.649 -1.506 -6.173 1.00 0.00 H new ATOM 0 HA LYS A 11 13.748 -3.634 -6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.772 -3.421 -6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 11 15.887 -4.451 -7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.861 -1.389 -7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.800 -2.403 -8.724 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.495 -3.559 -9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.770 -2.141 -8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.175 -0.691 -10.117 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.736 -2.152 -10.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.826 -1.212 -12.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.426 -2.732 -11.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.882 -1.316 -10.653 1.00 0.00 H new ATOM 200 N GLU A 12 14.058 -3.958 -3.931 1.00 0.00 N ATOM 201 CA GLU A 12 14.084 -4.783 -2.725 1.00 0.00 C ATOM 202 C GLU A 12 12.754 -5.511 -2.560 1.00 0.00 C ATOM 203 O GLU A 12 11.698 -4.958 -2.856 1.00 0.00 O ATOM 204 CB GLU A 12 14.345 -3.908 -1.497 1.00 0.00 C ATOM 205 CG GLU A 12 15.821 -3.505 -1.459 1.00 0.00 C ATOM 206 CD GLU A 12 16.677 -4.692 -1.031 1.00 0.00 C ATOM 207 OE1 GLU A 12 16.112 -5.669 -0.566 1.00 0.00 O ATOM 208 OE2 GLU A 12 17.886 -4.609 -1.176 1.00 0.00 O ATOM 0 H GLU A 12 13.478 -3.122 -3.859 1.00 0.00 H new ATOM 0 HA GLU A 12 14.885 -5.517 -2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.715 -3.019 -1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.082 -4.450 -0.589 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.136 -3.155 -2.442 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.962 -2.676 -0.765 1.00 0.00 H new ATOM 215 N LYS A 13 12.812 -6.754 -2.090 1.00 0.00 N ATOM 216 CA LYS A 13 11.602 -7.548 -1.898 1.00 0.00 C ATOM 217 C LYS A 13 11.237 -7.637 -0.420 1.00 0.00 C ATOM 218 O LYS A 13 12.101 -7.832 0.436 1.00 0.00 O ATOM 219 CB LYS A 13 11.818 -8.961 -2.455 1.00 0.00 C ATOM 220 CG LYS A 13 13.275 -9.394 -2.230 1.00 0.00 C ATOM 221 CD LYS A 13 14.122 -9.038 -3.459 1.00 0.00 C ATOM 222 CE LYS A 13 14.001 -10.145 -4.511 1.00 0.00 C ATOM 223 NZ LYS A 13 14.916 -11.268 -4.159 1.00 0.00 N ATOM 0 H LYS A 13 13.677 -7.231 -1.837 1.00 0.00 H new ATOM 0 HA LYS A 13 10.785 -7.060 -2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.141 -9.662 -1.966 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.583 -8.982 -3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.677 -8.901 -1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.320 -10.467 -2.045 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.790 -8.088 -3.878 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.165 -8.912 -3.169 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.972 -10.502 -4.562 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.251 -9.753 -5.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.910 -11.973 -4.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.881 -10.903 -4.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.595 -11.713 -3.275 1.00 0.00 H new ATOM 237 N VAL A 14 9.945 -7.500 -0.133 1.00 0.00 N ATOM 238 CA VAL A 14 9.451 -7.575 1.240 1.00 0.00 C ATOM 239 C VAL A 14 8.479 -8.747 1.376 1.00 0.00 C ATOM 240 O VAL A 14 7.270 -8.582 1.212 1.00 0.00 O ATOM 241 CB VAL A 14 8.736 -6.272 1.609 1.00 0.00 C ATOM 242 CG1 VAL A 14 8.387 -6.283 3.097 1.00 0.00 C ATOM 243 CG2 VAL A 14 9.654 -5.085 1.311 1.00 0.00 C ATOM 0 H VAL A 14 9.221 -7.336 -0.833 1.00 0.00 H new ATOM 0 HA VAL A 14 10.295 -7.725 1.913 1.00 0.00 H new ATOM 0 HB VAL A 14 7.822 -6.182 1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.878 -5.355 3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.733 -7.128 3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.301 -6.374 3.684 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.146 -4.157 1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.568 -5.176 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.903 -5.075 0.250 1.00 0.00 H new ATOM 253 N PRO A 15 8.989 -9.922 1.650 1.00 0.00 N ATOM 254 CA PRO A 15 8.153 -11.152 1.794 1.00 0.00 C ATOM 255 C PRO A 15 7.020 -10.984 2.801 1.00 0.00 C ATOM 256 O PRO A 15 7.187 -10.353 3.846 1.00 0.00 O ATOM 257 CB PRO A 15 9.141 -12.224 2.262 1.00 0.00 C ATOM 258 CG PRO A 15 10.488 -11.737 1.837 1.00 0.00 C ATOM 259 CD PRO A 15 10.418 -10.210 1.851 1.00 0.00 C ATOM 0 HA PRO A 15 7.655 -11.403 0.857 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.094 -12.356 3.343 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.913 -13.191 1.813 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.263 -12.097 2.514 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.738 -12.105 0.842 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.779 -9.802 2.795 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.029 -9.774 1.060 1.00 0.00 H new ATOM 267 N LEU A 16 5.873 -11.567 2.473 1.00 0.00 N ATOM 268 CA LEU A 16 4.700 -11.501 3.338 1.00 0.00 C ATOM 269 C LEU A 16 3.835 -12.745 3.158 1.00 0.00 C ATOM 270 O LEU A 16 4.021 -13.511 2.216 1.00 0.00 O ATOM 271 CB LEU A 16 3.863 -10.262 2.994 1.00 0.00 C ATOM 272 CG LEU A 16 4.477 -9.011 3.627 1.00 0.00 C ATOM 273 CD1 LEU A 16 3.713 -7.775 3.143 1.00 0.00 C ATOM 274 CD2 LEU A 16 4.395 -9.097 5.160 1.00 0.00 C ATOM 0 H LEU A 16 5.730 -12.093 1.611 1.00 0.00 H new ATOM 0 HA LEU A 16 5.041 -11.442 4.372 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.809 -10.141 1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.842 -10.394 3.351 1.00 0.00 H new ATOM 0 HG LEU A 16 5.524 -8.938 3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.146 -6.881 3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.782 -7.707 2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.666 -7.857 3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.835 -8.201 5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.351 -9.175 5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.940 -9.975 5.505 1.00 0.00 H new ATOM 286 N ASP A 17 2.879 -12.922 4.063 1.00 0.00 N ATOM 287 CA ASP A 17 1.962 -14.060 3.999 1.00 0.00 C ATOM 288 C ASP A 17 0.553 -13.601 4.349 1.00 0.00 C ATOM 289 O ASP A 17 0.353 -12.888 5.332 1.00 0.00 O ATOM 290 CB ASP A 17 2.396 -15.153 4.972 1.00 0.00 C ATOM 291 CG ASP A 17 3.816 -15.607 4.652 1.00 0.00 C ATOM 292 OD1 ASP A 17 4.712 -14.782 4.728 1.00 0.00 O ATOM 293 OD2 ASP A 17 3.987 -16.773 4.335 1.00 0.00 O ATOM 0 H ASP A 17 2.717 -12.294 4.850 1.00 0.00 H new ATOM 0 HA ASP A 17 1.978 -14.464 2.987 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.347 -14.780 5.995 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.712 -16.000 4.908 1.00 0.00 H new ATOM 298 N LEU A 18 -0.420 -14.000 3.537 1.00 0.00 N ATOM 299 CA LEU A 18 -1.807 -13.602 3.772 1.00 0.00 C ATOM 300 C LEU A 18 -2.774 -14.754 3.533 1.00 0.00 C ATOM 301 O LEU A 18 -2.368 -15.874 3.228 1.00 0.00 O ATOM 302 CB LEU A 18 -2.175 -12.449 2.839 1.00 0.00 C ATOM 303 CG LEU A 18 -1.419 -11.177 3.254 1.00 0.00 C ATOM 304 CD1 LEU A 18 -0.521 -10.709 2.108 1.00 0.00 C ATOM 305 CD2 LEU A 18 -2.429 -10.080 3.596 1.00 0.00 C ATOM 0 H LEU A 18 -0.279 -14.592 2.719 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.889 -13.294 4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.928 -12.710 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.250 -12.271 2.873 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.800 -11.391 4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.012 -9.807 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.198 -11.492 1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.132 -10.494 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.898 -9.175 3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.047 -9.869 2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.063 -10.413 4.418 1.00 0.00 H new ATOM 317 N GLU A 19 -4.064 -14.452 3.674 1.00 0.00 N ATOM 318 CA GLU A 19 -5.113 -15.444 3.471 1.00 0.00 C ATOM 319 C GLU A 19 -6.105 -14.937 2.422 1.00 0.00 C ATOM 320 O GLU A 19 -6.232 -13.731 2.214 1.00 0.00 O ATOM 321 CB GLU A 19 -5.847 -15.717 4.799 1.00 0.00 C ATOM 322 CG GLU A 19 -5.068 -15.098 5.965 1.00 0.00 C ATOM 323 CD GLU A 19 -3.682 -15.725 6.059 1.00 0.00 C ATOM 324 OE1 GLU A 19 -3.538 -16.862 5.641 1.00 0.00 O ATOM 325 OE2 GLU A 19 -2.785 -15.060 6.549 1.00 0.00 O ATOM 0 H GLU A 19 -4.406 -13.525 3.929 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.663 -16.373 3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.853 -15.299 4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.953 -16.791 4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.980 -14.021 5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.610 -15.253 6.898 1.00 0.00 H new ATOM 332 N PRO A 20 -6.808 -15.824 1.767 1.00 0.00 N ATOM 333 CA PRO A 20 -7.809 -15.445 0.727 1.00 0.00 C ATOM 334 C PRO A 20 -8.793 -14.402 1.243 1.00 0.00 C ATOM 335 O PRO A 20 -9.334 -13.607 0.475 1.00 0.00 O ATOM 336 CB PRO A 20 -8.537 -16.758 0.394 1.00 0.00 C ATOM 337 CG PRO A 20 -8.058 -17.779 1.382 1.00 0.00 C ATOM 338 CD PRO A 20 -6.730 -17.276 1.941 1.00 0.00 C ATOM 0 HA PRO A 20 -7.332 -14.995 -0.144 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.617 -16.630 0.463 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.318 -17.074 -0.626 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.787 -17.912 2.182 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.931 -18.749 0.902 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.608 -17.548 2.990 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.883 -17.699 1.402 1.00 0.00 H new ATOM 346 N SER A 21 -9.027 -14.421 2.549 1.00 0.00 N ATOM 347 CA SER A 21 -9.958 -13.477 3.159 1.00 0.00 C ATOM 348 C SER A 21 -9.276 -12.144 3.431 1.00 0.00 C ATOM 349 O SER A 21 -9.918 -11.094 3.400 1.00 0.00 O ATOM 350 CB SER A 21 -10.509 -14.051 4.465 1.00 0.00 C ATOM 351 OG SER A 21 -9.431 -14.307 5.356 1.00 0.00 O ATOM 0 H SER A 21 -8.591 -15.072 3.202 1.00 0.00 H new ATOM 0 HA SER A 21 -10.780 -13.311 2.463 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.211 -13.350 4.917 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.060 -14.971 4.268 1.00 0.00 H new ATOM 0 HG SER A 21 -9.780 -14.673 6.195 1.00 0.00 H new ATOM 357 N ASN A 22 -7.971 -12.182 3.674 1.00 0.00 N ATOM 358 CA ASN A 22 -7.233 -10.959 3.918 1.00 0.00 C ATOM 359 C ASN A 22 -7.403 -10.048 2.716 1.00 0.00 C ATOM 360 O ASN A 22 -7.609 -10.523 1.598 1.00 0.00 O ATOM 361 CB ASN A 22 -5.746 -11.271 4.144 1.00 0.00 C ATOM 362 CG ASN A 22 -5.340 -10.922 5.573 1.00 0.00 C ATOM 363 OD1 ASN A 22 -4.689 -11.720 6.246 1.00 0.00 O ATOM 364 ND2 ASN A 22 -5.689 -9.771 6.079 1.00 0.00 N ATOM 0 H ASN A 22 -7.413 -13.035 3.706 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.615 -10.467 4.813 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.556 -12.327 3.953 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.138 -10.705 3.438 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.422 -9.532 7.034 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.229 -9.111 5.520 1.00 0.00 H new ATOM 371 N THR A 23 -7.337 -8.747 2.940 1.00 0.00 N ATOM 372 CA THR A 23 -7.511 -7.804 1.844 1.00 0.00 C ATOM 373 C THR A 23 -6.476 -6.695 1.885 1.00 0.00 C ATOM 374 O THR A 23 -5.899 -6.387 2.928 1.00 0.00 O ATOM 375 CB THR A 23 -8.922 -7.207 1.883 1.00 0.00 C ATOM 376 OG1 THR A 23 -8.868 -5.827 1.548 1.00 0.00 O ATOM 377 CG2 THR A 23 -9.505 -7.371 3.284 1.00 0.00 C ATOM 0 H THR A 23 -7.168 -8.323 3.852 1.00 0.00 H new ATOM 0 HA THR A 23 -7.373 -8.352 0.912 1.00 0.00 H new ATOM 0 HB THR A 23 -9.554 -7.727 1.163 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.797 -5.729 0.576 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.509 -6.947 3.312 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.552 -8.430 3.537 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.872 -6.853 4.005 1.00 0.00 H new ATOM 385 N ILE A 24 -6.259 -6.104 0.719 1.00 0.00 N ATOM 386 CA ILE A 24 -5.309 -5.025 0.555 1.00 0.00 C ATOM 387 C ILE A 24 -5.270 -4.130 1.779 1.00 0.00 C ATOM 388 O ILE A 24 -4.208 -3.685 2.199 1.00 0.00 O ATOM 389 CB ILE A 24 -5.722 -4.201 -0.663 1.00 0.00 C ATOM 390 CG1 ILE A 24 -6.021 -5.121 -1.857 1.00 0.00 C ATOM 391 CG2 ILE A 24 -4.616 -3.224 -1.025 1.00 0.00 C ATOM 392 CD1 ILE A 24 -5.000 -6.255 -1.931 1.00 0.00 C ATOM 0 H ILE A 24 -6.742 -6.364 -0.141 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.314 -5.449 0.419 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.626 -3.644 -0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.025 -5.534 -1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.000 -4.544 -2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.917 -2.640 -1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.432 -2.555 -0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.705 -3.775 -1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.229 -6.895 -2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.000 -5.837 -2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.042 -6.843 -1.014 1.00 0.00 H new ATOM 404 N LEU A 25 -6.431 -3.867 2.344 1.00 0.00 N ATOM 405 CA LEU A 25 -6.507 -3.024 3.519 1.00 0.00 C ATOM 406 C LEU A 25 -5.517 -3.515 4.567 1.00 0.00 C ATOM 407 O LEU A 25 -4.774 -2.728 5.153 1.00 0.00 O ATOM 408 CB LEU A 25 -7.934 -3.066 4.074 1.00 0.00 C ATOM 409 CG LEU A 25 -8.061 -2.231 5.357 1.00 0.00 C ATOM 410 CD1 LEU A 25 -7.411 -2.952 6.549 1.00 0.00 C ATOM 411 CD2 LEU A 25 -7.404 -0.857 5.163 1.00 0.00 C ATOM 0 H LEU A 25 -7.328 -4.222 2.012 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.254 -1.997 3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.629 -2.690 3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.215 -4.099 4.281 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.122 -2.097 5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.515 -2.340 7.445 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.903 -3.912 6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.354 -3.116 6.342 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.501 -0.275 6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.348 -0.989 4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.896 -0.331 4.345 1.00 0.00 H new ATOM 423 N GLU A 26 -5.526 -4.822 4.801 1.00 0.00 N ATOM 424 CA GLU A 26 -4.638 -5.423 5.793 1.00 0.00 C ATOM 425 C GLU A 26 -3.228 -5.649 5.250 1.00 0.00 C ATOM 426 O GLU A 26 -2.254 -5.465 5.980 1.00 0.00 O ATOM 427 CB GLU A 26 -5.214 -6.759 6.272 1.00 0.00 C ATOM 428 CG GLU A 26 -6.540 -6.520 6.998 1.00 0.00 C ATOM 429 CD GLU A 26 -6.928 -7.762 7.793 1.00 0.00 C ATOM 430 OE1 GLU A 26 -6.074 -8.287 8.489 1.00 0.00 O ATOM 431 OE2 GLU A 26 -8.073 -8.171 7.695 1.00 0.00 O ATOM 0 H GLU A 26 -6.135 -5.485 4.321 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.568 -4.722 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.368 -7.425 5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.507 -7.252 6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.449 -5.664 7.666 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.321 -6.280 6.277 1.00 0.00 H new ATOM 438 N THR A 27 -3.097 -6.041 3.982 1.00 0.00 N ATOM 439 CA THR A 27 -1.769 -6.260 3.435 1.00 0.00 C ATOM 440 C THR A 27 -1.017 -4.940 3.459 1.00 0.00 C ATOM 441 O THR A 27 0.154 -4.879 3.830 1.00 0.00 O ATOM 442 CB THR A 27 -1.875 -6.845 2.016 1.00 0.00 C ATOM 443 OG1 THR A 27 -1.140 -8.057 1.955 1.00 0.00 O ATOM 444 CG2 THR A 27 -1.320 -5.868 0.984 1.00 0.00 C ATOM 0 H THR A 27 -3.870 -6.207 3.337 1.00 0.00 H new ATOM 0 HA THR A 27 -1.217 -6.983 4.035 1.00 0.00 H new ATOM 0 HB THR A 27 -2.926 -7.029 1.792 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.934 -8.268 1.020 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.405 -6.303 -0.012 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.886 -4.937 1.023 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.272 -5.665 1.202 1.00 0.00 H new ATOM 452 N LYS A 28 -1.720 -3.879 3.093 1.00 0.00 N ATOM 453 CA LYS A 28 -1.136 -2.549 3.108 1.00 0.00 C ATOM 454 C LYS A 28 -0.705 -2.191 4.527 1.00 0.00 C ATOM 455 O LYS A 28 0.390 -1.673 4.735 1.00 0.00 O ATOM 456 CB LYS A 28 -2.151 -1.525 2.606 1.00 0.00 C ATOM 457 CG LYS A 28 -2.152 -1.510 1.075 1.00 0.00 C ATOM 458 CD LYS A 28 -2.708 -0.178 0.589 1.00 0.00 C ATOM 459 CE LYS A 28 -2.616 -0.105 -0.936 1.00 0.00 C ATOM 460 NZ LYS A 28 -3.301 1.130 -1.416 1.00 0.00 N ATOM 0 H LYS A 28 -2.691 -3.914 2.783 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.265 -2.538 2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.146 -1.771 2.978 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.904 -0.535 2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.140 -1.655 0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.756 -2.332 0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.745 -0.069 0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.150 0.645 1.036 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.572 -0.099 -1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.077 -0.986 -1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.239 1.181 -2.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.301 1.106 -1.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.842 1.965 -1.001 1.00 0.00 H new ATOM 474 N THR A 29 -1.567 -2.481 5.506 1.00 0.00 N ATOM 475 CA THR A 29 -1.244 -2.187 6.893 1.00 0.00 C ATOM 476 C THR A 29 0.070 -2.856 7.275 1.00 0.00 C ATOM 477 O THR A 29 1.026 -2.191 7.674 1.00 0.00 O ATOM 478 CB THR A 29 -2.367 -2.692 7.805 1.00 0.00 C ATOM 479 OG1 THR A 29 -3.612 -2.557 7.138 1.00 0.00 O ATOM 480 CG2 THR A 29 -2.387 -1.873 9.091 1.00 0.00 C ATOM 0 H THR A 29 -2.480 -2.913 5.361 1.00 0.00 H new ATOM 0 HA THR A 29 -1.141 -1.108 7.013 1.00 0.00 H new ATOM 0 HB THR A 29 -2.195 -3.741 8.047 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.583 -3.046 6.289 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.186 -2.233 9.739 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.430 -1.976 9.603 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.559 -0.824 8.851 1.00 0.00 H new ATOM 488 N LYS A 30 0.109 -4.176 7.140 1.00 0.00 N ATOM 489 CA LYS A 30 1.312 -4.928 7.464 1.00 0.00 C ATOM 490 C LYS A 30 2.487 -4.406 6.651 1.00 0.00 C ATOM 491 O LYS A 30 3.487 -3.952 7.205 1.00 0.00 O ATOM 492 CB LYS A 30 1.092 -6.414 7.163 1.00 0.00 C ATOM 493 CG LYS A 30 2.354 -7.215 7.509 1.00 0.00 C ATOM 494 CD LYS A 30 2.350 -7.573 8.998 1.00 0.00 C ATOM 495 CE LYS A 30 3.577 -8.428 9.321 1.00 0.00 C ATOM 496 NZ LYS A 30 3.741 -8.522 10.799 1.00 0.00 N ATOM 0 H LYS A 30 -0.672 -4.743 6.811 1.00 0.00 H new ATOM 0 HA LYS A 30 1.532 -4.806 8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.245 -6.788 7.739 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.845 -6.547 6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.396 -8.123 6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.243 -6.632 7.268 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.357 -6.665 9.601 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.439 -8.116 9.250 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.463 -9.424 8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.468 -7.989 8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.575 -9.103 11.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.868 -7.569 11.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.894 -8.960 11.215 1.00 0.00 H new ATOM 510 N LEU A 31 2.366 -4.475 5.332 1.00 0.00 N ATOM 511 CA LEU A 31 3.434 -4.008 4.463 1.00 0.00 C ATOM 512 C LEU A 31 3.993 -2.681 4.965 1.00 0.00 C ATOM 513 O LEU A 31 5.155 -2.359 4.725 1.00 0.00 O ATOM 514 CB LEU A 31 2.903 -3.838 3.037 1.00 0.00 C ATOM 515 CG LEU A 31 4.023 -3.350 2.116 1.00 0.00 C ATOM 516 CD1 LEU A 31 5.184 -4.349 2.139 1.00 0.00 C ATOM 517 CD2 LEU A 31 3.480 -3.228 0.691 1.00 0.00 C ATOM 0 H LEU A 31 1.549 -4.845 4.846 1.00 0.00 H new ATOM 0 HA LEU A 31 4.235 -4.747 4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.508 -4.786 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.078 -3.125 3.030 1.00 0.00 H new ATOM 0 HG LEU A 31 4.381 -2.379 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.979 -3.998 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.567 -4.439 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.833 -5.322 1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.272 -2.881 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.124 -4.201 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.656 -2.515 0.676 1.00 0.00 H new ATOM 529 N ALA A 32 3.162 -1.918 5.668 1.00 0.00 N ATOM 530 CA ALA A 32 3.596 -0.630 6.203 1.00 0.00 C ATOM 531 C ALA A 32 4.371 -0.824 7.504 1.00 0.00 C ATOM 532 O ALA A 32 5.372 -0.153 7.749 1.00 0.00 O ATOM 533 CB ALA A 32 2.386 0.283 6.448 1.00 0.00 C ATOM 0 H ALA A 32 2.195 -2.164 5.879 1.00 0.00 H new ATOM 0 HA ALA A 32 4.252 -0.160 5.470 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.726 1.239 6.847 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.859 0.449 5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.713 -0.189 7.163 1.00 0.00 H new ATOM 539 N GLN A 33 3.895 -1.744 8.334 1.00 0.00 N ATOM 540 CA GLN A 33 4.546 -2.017 9.612 1.00 0.00 C ATOM 541 C GLN A 33 5.803 -2.853 9.402 1.00 0.00 C ATOM 542 O GLN A 33 6.644 -2.967 10.295 1.00 0.00 O ATOM 543 CB GLN A 33 3.571 -2.724 10.568 1.00 0.00 C ATOM 544 CG GLN A 33 3.655 -4.247 10.402 1.00 0.00 C ATOM 545 CD GLN A 33 4.809 -4.803 11.229 1.00 0.00 C ATOM 546 OE1 GLN A 33 5.756 -5.364 10.678 1.00 0.00 O ATOM 547 NE2 GLN A 33 4.788 -4.680 12.529 1.00 0.00 N ATOM 0 H GLN A 33 3.067 -2.310 8.149 1.00 0.00 H new ATOM 0 HA GLN A 33 4.840 -1.070 10.063 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.803 -2.452 11.598 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.553 -2.388 10.371 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.718 -4.707 10.716 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.797 -4.498 9.351 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.003 -4.215 12.985 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.557 -5.049 13.089 1.00 0.00 H new ATOM 556 N SER A 34 5.926 -3.426 8.213 1.00 0.00 N ATOM 557 CA SER A 34 7.086 -4.241 7.882 1.00 0.00 C ATOM 558 C SER A 34 8.266 -3.330 7.603 1.00 0.00 C ATOM 559 O SER A 34 9.348 -3.495 8.168 1.00 0.00 O ATOM 560 CB SER A 34 6.795 -5.105 6.656 1.00 0.00 C ATOM 561 OG SER A 34 7.953 -5.859 6.325 1.00 0.00 O ATOM 0 H SER A 34 5.239 -3.342 7.464 1.00 0.00 H new ATOM 0 HA SER A 34 7.317 -4.898 8.720 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.958 -5.773 6.859 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.504 -4.476 5.815 1.00 0.00 H new ATOM 0 HG SER A 34 7.697 -6.626 5.771 1.00 0.00 H new ATOM 567 N ILE A 35 8.036 -2.346 6.742 1.00 0.00 N ATOM 568 CA ILE A 35 9.064 -1.383 6.407 1.00 0.00 C ATOM 569 C ILE A 35 9.038 -0.256 7.428 1.00 0.00 C ATOM 570 O ILE A 35 9.980 0.530 7.528 1.00 0.00 O ATOM 571 CB ILE A 35 8.829 -0.835 5.001 1.00 0.00 C ATOM 572 CG1 ILE A 35 7.454 -0.162 4.935 1.00 0.00 C ATOM 573 CG2 ILE A 35 8.888 -1.985 3.993 1.00 0.00 C ATOM 574 CD1 ILE A 35 7.074 0.087 3.472 1.00 0.00 C ATOM 0 H ILE A 35 7.146 -2.199 6.266 1.00 0.00 H new ATOM 0 HA ILE A 35 10.041 -1.865 6.427 1.00 0.00 H new ATOM 0 HB ILE A 35 9.599 -0.102 4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.705 -0.794 5.413 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.473 0.781 5.482 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.721 -1.597 2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.868 -2.460 4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.118 -2.718 4.232 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.096 0.566 3.427 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.817 0.736 3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.038 -0.863 2.939 1.00 0.00 H new ATOM 586 N SER A 36 7.946 -0.200 8.198 1.00 0.00 N ATOM 587 CA SER A 36 7.792 0.821 9.237 1.00 0.00 C ATOM 588 C SER A 36 7.177 2.098 8.676 1.00 0.00 C ATOM 589 O SER A 36 7.342 3.178 9.245 1.00 0.00 O ATOM 590 CB SER A 36 9.146 1.139 9.881 1.00 0.00 C ATOM 591 OG SER A 36 8.941 1.535 11.230 1.00 0.00 O ATOM 0 H SER A 36 7.161 -0.846 8.121 1.00 0.00 H new ATOM 0 HA SER A 36 7.118 0.420 9.994 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.795 0.264 9.841 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.647 1.934 9.328 1.00 0.00 H new ATOM 0 HG SER A 36 9.805 1.738 11.646 1.00 0.00 H new ATOM 597 N CYS A 37 6.453 1.969 7.570 1.00 0.00 N ATOM 598 CA CYS A 37 5.799 3.119 6.953 1.00 0.00 C ATOM 599 C CYS A 37 4.292 2.994 7.124 1.00 0.00 C ATOM 600 O CYS A 37 3.814 2.054 7.757 1.00 0.00 O ATOM 601 CB CYS A 37 6.147 3.192 5.465 1.00 0.00 C ATOM 602 SG CYS A 37 5.677 4.813 4.811 1.00 0.00 S ATOM 0 H CYS A 37 6.304 1.085 7.084 1.00 0.00 H new ATOM 0 HA CYS A 37 6.148 4.031 7.438 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.215 3.027 5.322 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.627 2.404 4.920 1.00 0.00 H new ATOM 0 HG CYS A 37 6.678 5.325 4.159 1.00 0.00 H new ATOM 608 N GLU A 38 3.544 3.938 6.564 1.00 0.00 N ATOM 609 CA GLU A 38 2.090 3.904 6.670 1.00 0.00 C ATOM 610 C GLU A 38 1.465 3.549 5.320 1.00 0.00 C ATOM 611 O GLU A 38 2.083 3.722 4.270 1.00 0.00 O ATOM 612 CB GLU A 38 1.564 5.255 7.165 1.00 0.00 C ATOM 613 CG GLU A 38 1.406 6.214 5.989 1.00 0.00 C ATOM 614 CD GLU A 38 1.295 7.649 6.495 1.00 0.00 C ATOM 615 OE1 GLU A 38 0.620 7.855 7.489 1.00 0.00 O ATOM 616 OE2 GLU A 38 1.889 8.520 5.880 1.00 0.00 O ATOM 0 H GLU A 38 3.915 4.729 6.037 1.00 0.00 H new ATOM 0 HA GLU A 38 1.810 3.136 7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.606 5.120 7.667 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.251 5.676 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.259 6.122 5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.518 5.953 5.414 1.00 0.00 H new ATOM 623 N GLU A 39 0.243 3.040 5.367 1.00 0.00 N ATOM 624 CA GLU A 39 -0.474 2.641 4.157 1.00 0.00 C ATOM 625 C GLU A 39 -1.048 3.849 3.422 1.00 0.00 C ATOM 626 O GLU A 39 -1.399 3.769 2.245 1.00 0.00 O ATOM 627 CB GLU A 39 -1.613 1.671 4.506 1.00 0.00 C ATOM 628 CG GLU A 39 -2.439 2.202 5.686 1.00 0.00 C ATOM 629 CD GLU A 39 -3.094 3.530 5.317 1.00 0.00 C ATOM 630 OE1 GLU A 39 -3.849 3.549 4.360 1.00 0.00 O ATOM 631 OE2 GLU A 39 -2.832 4.507 6.000 1.00 0.00 O ATOM 0 H GLU A 39 -0.278 2.892 6.232 1.00 0.00 H new ATOM 0 HA GLU A 39 0.243 2.146 3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.258 1.533 3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.201 0.693 4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.204 1.475 5.960 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.798 2.334 6.558 1.00 0.00 H new ATOM 638 N SER A 40 -1.185 4.946 4.146 1.00 0.00 N ATOM 639 CA SER A 40 -1.774 6.169 3.597 1.00 0.00 C ATOM 640 C SER A 40 -1.014 6.736 2.394 1.00 0.00 C ATOM 641 O SER A 40 -1.545 7.596 1.690 1.00 0.00 O ATOM 642 CB SER A 40 -1.857 7.236 4.688 1.00 0.00 C ATOM 643 OG SER A 40 -0.621 7.934 4.756 1.00 0.00 O ATOM 0 H SER A 40 -0.897 5.021 5.121 1.00 0.00 H new ATOM 0 HA SER A 40 -2.767 5.895 3.240 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.669 7.931 4.473 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.080 6.773 5.649 1.00 0.00 H new ATOM 0 HG SER A 40 -0.724 8.727 5.323 1.00 0.00 H new ATOM 649 N GLN A 41 0.210 6.277 2.148 1.00 0.00 N ATOM 650 CA GLN A 41 0.981 6.789 1.015 1.00 0.00 C ATOM 651 C GLN A 41 1.356 5.653 0.081 1.00 0.00 C ATOM 652 O GLN A 41 1.602 5.855 -1.108 1.00 0.00 O ATOM 653 CB GLN A 41 2.251 7.491 1.509 1.00 0.00 C ATOM 654 CG GLN A 41 2.500 7.136 2.969 1.00 0.00 C ATOM 655 CD GLN A 41 3.734 7.870 3.483 1.00 0.00 C ATOM 656 OE1 GLN A 41 3.631 9.000 3.960 1.00 0.00 O ATOM 657 NE2 GLN A 41 4.901 7.293 3.415 1.00 0.00 N ATOM 0 H GLN A 41 0.684 5.565 2.705 1.00 0.00 H new ATOM 0 HA GLN A 41 0.365 7.508 0.475 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.104 7.190 0.901 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.147 8.571 1.400 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.631 7.404 3.570 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.638 6.060 3.071 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.985 6.357 3.019 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.730 7.778 3.757 1.00 0.00 H new ATOM 666 N ILE A 42 1.405 4.460 0.642 1.00 0.00 N ATOM 667 CA ILE A 42 1.760 3.278 -0.109 1.00 0.00 C ATOM 668 C ILE A 42 0.817 3.064 -1.287 1.00 0.00 C ATOM 669 O ILE A 42 -0.355 3.440 -1.250 1.00 0.00 O ATOM 670 CB ILE A 42 1.723 2.084 0.850 1.00 0.00 C ATOM 671 CG1 ILE A 42 3.145 1.625 1.159 1.00 0.00 C ATOM 672 CG2 ILE A 42 0.926 0.925 0.256 1.00 0.00 C ATOM 673 CD1 ILE A 42 3.119 0.720 2.386 1.00 0.00 C ATOM 0 H ILE A 42 1.201 4.286 1.626 1.00 0.00 H new ATOM 0 HA ILE A 42 2.760 3.392 -0.528 1.00 0.00 H new ATOM 0 HB ILE A 42 1.232 2.401 1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.562 1.090 0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.788 2.487 1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.917 0.092 0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.097 1.248 0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.388 0.607 -0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.132 0.387 2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.718 1.271 3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.489 -0.146 2.186 1.00 0.00 H new ATOM 685 N LYS A 43 1.354 2.439 -2.323 1.00 0.00 N ATOM 686 CA LYS A 43 0.592 2.136 -3.528 1.00 0.00 C ATOM 687 C LYS A 43 0.901 0.712 -3.972 1.00 0.00 C ATOM 688 O LYS A 43 2.031 0.406 -4.345 1.00 0.00 O ATOM 689 CB LYS A 43 0.961 3.115 -4.644 1.00 0.00 C ATOM 690 CG LYS A 43 0.772 4.556 -4.147 1.00 0.00 C ATOM 691 CD LYS A 43 0.289 5.439 -5.299 1.00 0.00 C ATOM 692 CE LYS A 43 1.337 5.444 -6.414 1.00 0.00 C ATOM 693 NZ LYS A 43 1.041 6.547 -7.371 1.00 0.00 N ATOM 0 H LYS A 43 2.325 2.128 -2.354 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.473 2.232 -3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.995 2.958 -4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.337 2.937 -5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.049 4.578 -3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.712 4.940 -3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.662 5.068 -5.681 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.115 6.455 -4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.333 5.573 -5.991 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.334 4.486 -6.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.754 6.550 -8.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.097 6.404 -7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.065 7.458 -6.869 1.00 0.00 H new ATOM 707 N LEU A 44 -0.099 -0.159 -3.907 1.00 0.00 N ATOM 708 CA LEU A 44 0.086 -1.558 -4.284 1.00 0.00 C ATOM 709 C LEU A 44 -0.340 -1.792 -5.728 1.00 0.00 C ATOM 710 O LEU A 44 -1.517 -1.693 -6.067 1.00 0.00 O ATOM 711 CB LEU A 44 -0.725 -2.449 -3.337 1.00 0.00 C ATOM 712 CG LEU A 44 0.212 -3.163 -2.353 1.00 0.00 C ATOM 713 CD1 LEU A 44 1.100 -2.149 -1.606 1.00 0.00 C ATOM 714 CD2 LEU A 44 -0.629 -3.939 -1.341 1.00 0.00 C ATOM 0 H LEU A 44 -1.043 0.076 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 44 1.143 -1.810 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.449 -1.846 -2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.290 -3.183 -3.911 1.00 0.00 H new ATOM 0 HG LEU A 44 0.857 -3.842 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.755 -2.679 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.703 -1.595 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.470 -1.455 -1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.028 -4.450 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.275 -3.248 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.242 -4.673 -1.864 1.00 0.00 H new ATOM 726 N ILE A 45 0.644 -2.079 -6.576 1.00 0.00 N ATOM 727 CA ILE A 45 0.400 -2.301 -7.993 1.00 0.00 C ATOM 728 C ILE A 45 0.338 -3.789 -8.315 1.00 0.00 C ATOM 729 O ILE A 45 1.264 -4.545 -8.017 1.00 0.00 O ATOM 730 CB ILE A 45 1.538 -1.681 -8.810 1.00 0.00 C ATOM 731 CG1 ILE A 45 1.665 -0.156 -8.581 1.00 0.00 C ATOM 732 CG2 ILE A 45 1.290 -1.944 -10.297 1.00 0.00 C ATOM 733 CD1 ILE A 45 0.861 0.321 -7.379 1.00 0.00 C ATOM 0 H ILE A 45 1.623 -2.163 -6.301 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.555 -1.841 -8.245 1.00 0.00 H new ATOM 0 HB ILE A 45 2.469 -2.144 -8.482 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.715 0.101 -8.437 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.327 0.372 -9.473 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.097 -1.505 -10.884 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.255 -3.019 -10.475 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.341 -1.496 -10.592 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.985 1.398 -7.263 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.193 0.091 -7.532 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.216 -0.184 -6.480 1.00 0.00 H new ATOM 745 N TYR A 46 -0.753 -4.188 -8.959 1.00 0.00 N ATOM 746 CA TYR A 46 -0.939 -5.574 -9.365 1.00 0.00 C ATOM 747 C TYR A 46 -1.112 -5.624 -10.875 1.00 0.00 C ATOM 748 O TYR A 46 -2.140 -5.203 -11.406 1.00 0.00 O ATOM 749 CB TYR A 46 -2.174 -6.164 -8.679 1.00 0.00 C ATOM 750 CG TYR A 46 -2.234 -7.659 -8.913 1.00 0.00 C ATOM 751 CD1 TYR A 46 -1.224 -8.491 -8.410 1.00 0.00 C ATOM 752 CD2 TYR A 46 -3.305 -8.215 -9.626 1.00 0.00 C ATOM 753 CE1 TYR A 46 -1.285 -9.875 -8.623 1.00 0.00 C ATOM 754 CE2 TYR A 46 -3.364 -9.598 -9.838 1.00 0.00 C ATOM 755 CZ TYR A 46 -2.354 -10.427 -9.335 1.00 0.00 C ATOM 756 OH TYR A 46 -2.414 -11.789 -9.545 1.00 0.00 O ATOM 0 H TYR A 46 -1.523 -3.569 -9.211 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.068 -6.160 -9.073 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.140 -5.956 -7.609 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.076 -5.691 -9.067 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.399 -8.065 -7.858 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.085 -7.576 -10.012 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.506 -10.515 -8.237 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.189 -10.025 -10.389 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.222 -12.006 -10.056 1.00 0.00 H new ATOM 766 N SER A 47 -0.096 -6.122 -11.560 1.00 0.00 N ATOM 767 CA SER A 47 -0.138 -6.205 -13.011 1.00 0.00 C ATOM 768 C SER A 47 -0.197 -4.812 -13.628 1.00 0.00 C ATOM 769 O SER A 47 -0.772 -4.625 -14.701 1.00 0.00 O ATOM 770 CB SER A 47 -1.351 -7.023 -13.458 1.00 0.00 C ATOM 771 OG SER A 47 -1.143 -7.484 -14.786 1.00 0.00 O ATOM 0 H SER A 47 0.764 -6.473 -11.138 1.00 0.00 H new ATOM 0 HA SER A 47 0.772 -6.699 -13.352 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.501 -7.868 -12.787 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.253 -6.413 -13.410 1.00 0.00 H new ATOM 0 HG SER A 47 -0.923 -6.725 -15.365 1.00 0.00 H new ATOM 777 N GLY A 48 0.401 -3.836 -12.949 1.00 0.00 N ATOM 778 CA GLY A 48 0.406 -2.469 -13.453 1.00 0.00 C ATOM 779 C GLY A 48 -0.909 -1.772 -13.137 1.00 0.00 C ATOM 780 O GLY A 48 -1.343 -0.884 -13.870 1.00 0.00 O ATOM 0 H GLY A 48 0.882 -3.965 -12.059 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.232 -1.915 -13.007 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.570 -2.474 -14.531 1.00 0.00 H new ATOM 784 N LYS A 49 -1.542 -2.182 -12.040 1.00 0.00 N ATOM 785 CA LYS A 49 -2.815 -1.587 -11.640 1.00 0.00 C ATOM 786 C LYS A 49 -2.804 -1.261 -10.152 1.00 0.00 C ATOM 787 O LYS A 49 -2.525 -2.123 -9.321 1.00 0.00 O ATOM 788 CB LYS A 49 -3.965 -2.552 -11.947 1.00 0.00 C ATOM 789 CG LYS A 49 -5.304 -1.949 -11.491 1.00 0.00 C ATOM 790 CD LYS A 49 -5.588 -0.625 -12.218 1.00 0.00 C ATOM 791 CE LYS A 49 -5.442 -0.806 -13.732 1.00 0.00 C ATOM 792 NZ LYS A 49 -6.015 -2.122 -14.136 1.00 0.00 N ATOM 0 H LYS A 49 -1.200 -2.915 -11.419 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.958 -0.665 -12.203 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.998 -2.761 -13.016 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.796 -3.503 -11.442 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.111 -2.656 -11.687 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.283 -1.780 -10.414 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.595 -0.282 -11.982 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.899 0.144 -11.869 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.954 0.001 -14.256 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.391 -0.753 -14.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.260 -2.099 -15.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.315 -2.872 -13.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.871 -2.314 -13.577 1.00 0.00 H new ATOM 806 N VAL A 50 -3.107 -0.012 -9.825 1.00 0.00 N ATOM 807 CA VAL A 50 -3.123 0.416 -8.434 1.00 0.00 C ATOM 808 C VAL A 50 -4.282 -0.240 -7.678 1.00 0.00 C ATOM 809 O VAL A 50 -5.426 0.204 -7.768 1.00 0.00 O ATOM 810 CB VAL A 50 -3.248 1.942 -8.355 1.00 0.00 C ATOM 811 CG1 VAL A 50 -4.491 2.409 -9.124 1.00 0.00 C ATOM 812 CG2 VAL A 50 -3.364 2.366 -6.888 1.00 0.00 C ATOM 0 H VAL A 50 -3.343 0.717 -10.498 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.187 0.107 -7.969 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.364 2.397 -8.801 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.571 3.494 -9.062 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.406 2.111 -10.169 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.381 1.954 -8.688 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.453 3.451 -6.829 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.246 1.905 -6.445 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.475 2.045 -6.345 1.00 0.00 H new ATOM 822 N LEU A 51 -3.977 -1.303 -6.938 1.00 0.00 N ATOM 823 CA LEU A 51 -4.991 -2.017 -6.173 1.00 0.00 C ATOM 824 C LEU A 51 -5.818 -1.059 -5.327 1.00 0.00 C ATOM 825 O LEU A 51 -5.493 0.120 -5.195 1.00 0.00 O ATOM 826 CB LEU A 51 -4.321 -3.039 -5.250 1.00 0.00 C ATOM 827 CG LEU A 51 -3.944 -4.298 -6.039 1.00 0.00 C ATOM 828 CD1 LEU A 51 -2.795 -5.019 -5.323 1.00 0.00 C ATOM 829 CD2 LEU A 51 -5.159 -5.233 -6.137 1.00 0.00 C ATOM 0 H LEU A 51 -3.036 -1.687 -6.853 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.650 -2.521 -6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.430 -2.603 -4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.995 -3.300 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.629 -4.016 -7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.524 -5.915 -5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.932 -4.356 -5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.111 -5.299 -4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.886 -6.126 -6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.480 -5.518 -5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.974 -4.719 -6.647 1.00 0.00 H new ATOM 841 N GLN A 52 -6.885 -1.594 -4.743 1.00 0.00 N ATOM 842 CA GLN A 52 -7.770 -0.808 -3.887 1.00 0.00 C ATOM 843 C GLN A 52 -7.820 -1.427 -2.489 1.00 0.00 C ATOM 844 O GLN A 52 -7.394 -2.564 -2.290 1.00 0.00 O ATOM 845 CB GLN A 52 -9.186 -0.747 -4.484 1.00 0.00 C ATOM 846 CG GLN A 52 -9.163 -1.245 -5.933 1.00 0.00 C ATOM 847 CD GLN A 52 -8.210 -0.392 -6.763 1.00 0.00 C ATOM 848 OE1 GLN A 52 -7.989 0.778 -6.452 1.00 0.00 O ATOM 849 NE2 GLN A 52 -7.628 -0.913 -7.809 1.00 0.00 N ATOM 0 H GLN A 52 -7.159 -2.571 -4.846 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.379 0.207 -3.819 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.867 -1.358 -3.891 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.562 0.276 -4.448 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.849 -2.289 -5.963 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.166 -1.201 -6.357 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.813 -1.883 -8.065 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.989 -0.350 -8.370 1.00 0.00 H new ATOM 858 N ASP A 53 -8.327 -0.667 -1.527 1.00 0.00 N ATOM 859 CA ASP A 53 -8.414 -1.137 -0.146 1.00 0.00 C ATOM 860 C ASP A 53 -9.624 -2.044 0.070 1.00 0.00 C ATOM 861 O ASP A 53 -9.744 -2.695 1.108 1.00 0.00 O ATOM 862 CB ASP A 53 -8.532 0.064 0.786 1.00 0.00 C ATOM 863 CG ASP A 53 -7.268 0.914 0.708 1.00 0.00 C ATOM 864 OD1 ASP A 53 -7.163 1.701 -0.219 1.00 0.00 O ATOM 865 OD2 ASP A 53 -6.424 0.765 1.575 1.00 0.00 O ATOM 0 H ASP A 53 -8.684 0.277 -1.675 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.512 -1.711 0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.400 0.663 0.511 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.689 -0.275 1.810 1.00 0.00 H new ATOM 870 N SER A 54 -10.532 -2.056 -0.897 1.00 0.00 N ATOM 871 CA SER A 54 -11.753 -2.858 -0.783 1.00 0.00 C ATOM 872 C SER A 54 -11.647 -4.198 -1.512 1.00 0.00 C ATOM 873 O SER A 54 -12.659 -4.866 -1.719 1.00 0.00 O ATOM 874 CB SER A 54 -12.933 -2.072 -1.352 1.00 0.00 C ATOM 875 OG SER A 54 -13.132 -0.897 -0.576 1.00 0.00 O ATOM 0 H SER A 54 -10.452 -1.525 -1.764 1.00 0.00 H new ATOM 0 HA SER A 54 -11.902 -3.070 0.276 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.741 -1.807 -2.392 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.833 -2.686 -1.341 1.00 0.00 H new ATOM 0 HG SER A 54 -13.887 -0.389 -0.939 1.00 0.00 H new ATOM 881 N LYS A 55 -10.438 -4.595 -1.909 1.00 0.00 N ATOM 882 CA LYS A 55 -10.270 -5.862 -2.619 1.00 0.00 C ATOM 883 C LYS A 55 -9.609 -6.911 -1.732 1.00 0.00 C ATOM 884 O LYS A 55 -8.760 -6.595 -0.901 1.00 0.00 O ATOM 885 CB LYS A 55 -9.411 -5.652 -3.865 1.00 0.00 C ATOM 886 CG LYS A 55 -10.007 -4.540 -4.735 1.00 0.00 C ATOM 887 CD LYS A 55 -11.493 -4.807 -5.000 1.00 0.00 C ATOM 888 CE LYS A 55 -11.944 -4.015 -6.229 1.00 0.00 C ATOM 889 NZ LYS A 55 -13.419 -4.152 -6.394 1.00 0.00 N ATOM 0 H LYS A 55 -9.577 -4.070 -1.755 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.261 -6.217 -2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.393 -5.391 -3.575 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.352 -6.579 -4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.887 -3.577 -4.238 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.467 -4.480 -5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.659 -5.872 -5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.085 -4.519 -4.131 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.676 -2.965 -6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.432 -4.381 -7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -13.726 -3.614 -7.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.663 -5.155 -6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.899 -3.783 -5.548 1.00 0.00 H new ATOM 903 N THR A 56 -9.996 -8.169 -1.932 1.00 0.00 N ATOM 904 CA THR A 56 -9.421 -9.268 -1.166 1.00 0.00 C ATOM 905 C THR A 56 -8.444 -10.049 -2.031 1.00 0.00 C ATOM 906 O THR A 56 -8.632 -10.175 -3.240 1.00 0.00 O ATOM 907 CB THR A 56 -10.511 -10.206 -0.646 1.00 0.00 C ATOM 908 OG1 THR A 56 -11.375 -10.575 -1.712 1.00 0.00 O ATOM 909 CG2 THR A 56 -11.309 -9.507 0.448 1.00 0.00 C ATOM 0 H THR A 56 -10.701 -8.450 -2.614 1.00 0.00 H new ATOM 0 HA THR A 56 -8.894 -8.845 -0.311 1.00 0.00 H new ATOM 0 HB THR A 56 -10.048 -11.103 -0.235 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.071 -11.177 -1.375 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.085 -10.177 0.817 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.643 -9.237 1.268 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.770 -8.606 0.043 1.00 0.00 H new ATOM 917 N VAL A 57 -7.400 -10.571 -1.407 1.00 0.00 N ATOM 918 CA VAL A 57 -6.399 -11.337 -2.146 1.00 0.00 C ATOM 919 C VAL A 57 -7.086 -12.298 -3.106 1.00 0.00 C ATOM 920 O VAL A 57 -6.554 -12.628 -4.166 1.00 0.00 O ATOM 921 CB VAL A 57 -5.505 -12.122 -1.172 1.00 0.00 C ATOM 922 CG1 VAL A 57 -5.084 -13.461 -1.793 1.00 0.00 C ATOM 923 CG2 VAL A 57 -4.252 -11.299 -0.861 1.00 0.00 C ATOM 0 H VAL A 57 -7.221 -10.483 -0.407 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.778 -10.646 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.065 -12.315 -0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.452 -14.005 -1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.971 -14.054 -2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.530 -13.277 -2.713 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.615 -11.852 -0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.705 -11.106 -1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.542 -10.352 -0.407 1.00 0.00 H new ATOM 933 N SER A 58 -8.271 -12.742 -2.720 1.00 0.00 N ATOM 934 CA SER A 58 -9.028 -13.669 -3.540 1.00 0.00 C ATOM 935 C SER A 58 -9.512 -12.987 -4.813 1.00 0.00 C ATOM 936 O SER A 58 -9.523 -13.591 -5.885 1.00 0.00 O ATOM 937 CB SER A 58 -10.225 -14.188 -2.750 1.00 0.00 C ATOM 938 OG SER A 58 -10.838 -15.252 -3.467 1.00 0.00 O ATOM 0 H SER A 58 -8.727 -12.476 -1.847 1.00 0.00 H new ATOM 0 HA SER A 58 -8.380 -14.501 -3.816 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.904 -14.534 -1.768 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.943 -13.384 -2.586 1.00 0.00 H new ATOM 0 HG SER A 58 -11.607 -15.588 -2.960 1.00 0.00 H new ATOM 944 N GLU A 59 -9.912 -11.725 -4.691 1.00 0.00 N ATOM 945 CA GLU A 59 -10.393 -10.980 -5.843 1.00 0.00 C ATOM 946 C GLU A 59 -9.225 -10.345 -6.595 1.00 0.00 C ATOM 947 O GLU A 59 -9.276 -10.184 -7.814 1.00 0.00 O ATOM 948 CB GLU A 59 -11.406 -9.922 -5.386 1.00 0.00 C ATOM 949 CG GLU A 59 -10.705 -8.594 -5.095 1.00 0.00 C ATOM 950 CD GLU A 59 -10.484 -7.822 -6.394 1.00 0.00 C ATOM 951 OE1 GLU A 59 -11.444 -7.643 -7.123 1.00 0.00 O ATOM 952 OE2 GLU A 59 -9.358 -7.420 -6.637 1.00 0.00 O ATOM 0 H GLU A 59 -9.912 -11.204 -3.814 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.894 -11.662 -6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.163 -9.778 -6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.924 -10.269 -4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.306 -7.999 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.749 -8.778 -4.605 1.00 0.00 H new ATOM 959 N CYS A 60 -8.167 -9.992 -5.863 1.00 0.00 N ATOM 960 CA CYS A 60 -6.996 -9.385 -6.488 1.00 0.00 C ATOM 961 C CYS A 60 -6.355 -10.370 -7.457 1.00 0.00 C ATOM 962 O CYS A 60 -5.722 -9.973 -8.435 1.00 0.00 O ATOM 963 CB CYS A 60 -5.975 -8.987 -5.422 1.00 0.00 C ATOM 964 SG CYS A 60 -4.505 -8.303 -6.224 1.00 0.00 S ATOM 0 H CYS A 60 -8.098 -10.114 -4.853 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.314 -8.495 -7.031 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.408 -8.252 -4.744 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.704 -9.855 -4.820 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.480 -8.670 -7.471 1.00 0.00 H new ATOM 970 N GLY A 61 -6.528 -11.657 -7.175 1.00 0.00 N ATOM 971 CA GLY A 61 -5.968 -12.701 -8.026 1.00 0.00 C ATOM 972 C GLY A 61 -4.630 -13.195 -7.485 1.00 0.00 C ATOM 973 O GLY A 61 -3.962 -14.011 -8.119 1.00 0.00 O ATOM 0 H GLY A 61 -7.049 -12.001 -6.368 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.667 -13.535 -8.091 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.835 -12.317 -9.037 1.00 0.00 H new ATOM 977 N LEU A 62 -4.241 -12.701 -6.312 1.00 0.00 N ATOM 978 CA LEU A 62 -2.980 -13.110 -5.716 1.00 0.00 C ATOM 979 C LEU A 62 -3.039 -14.566 -5.288 1.00 0.00 C ATOM 980 O LEU A 62 -4.055 -15.040 -4.780 1.00 0.00 O ATOM 981 CB LEU A 62 -2.654 -12.235 -4.505 1.00 0.00 C ATOM 982 CG LEU A 62 -2.258 -10.840 -4.979 1.00 0.00 C ATOM 983 CD1 LEU A 62 -2.500 -9.828 -3.859 1.00 0.00 C ATOM 984 CD2 LEU A 62 -0.776 -10.830 -5.367 1.00 0.00 C ATOM 0 H LEU A 62 -4.775 -12.026 -5.765 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.197 -12.991 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.518 -12.174 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.842 -12.680 -3.929 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.861 -10.570 -5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.216 -8.833 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.556 -9.831 -3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.901 -10.098 -2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.495 -9.833 -5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.172 -11.103 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.605 -11.547 -6.170 1.00 0.00 H new ATOM 996 N LYS A 63 -1.933 -15.264 -5.497 1.00 0.00 N ATOM 997 CA LYS A 63 -1.843 -16.672 -5.132 1.00 0.00 C ATOM 998 C LYS A 63 -0.656 -16.909 -4.204 1.00 0.00 C ATOM 999 O LYS A 63 -0.134 -15.971 -3.601 1.00 0.00 O ATOM 1000 CB LYS A 63 -1.725 -17.534 -6.394 1.00 0.00 C ATOM 1001 CG LYS A 63 -0.537 -17.071 -7.244 1.00 0.00 C ATOM 1002 CD LYS A 63 0.769 -17.622 -6.663 1.00 0.00 C ATOM 1003 CE LYS A 63 1.830 -17.703 -7.764 1.00 0.00 C ATOM 1004 NZ LYS A 63 1.784 -16.465 -8.592 1.00 0.00 N ATOM 0 H LYS A 63 -1.086 -14.881 -5.917 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.751 -16.956 -4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.597 -18.581 -6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.645 -17.468 -6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.660 -17.412 -8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.501 -15.982 -7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.118 -16.980 -5.855 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.599 -18.610 -6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.819 -17.821 -7.322 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.654 -18.578 -8.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.727 -16.722 -9.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.949 -15.903 -8.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.644 -15.904 -8.426 1.00 0.00 H new ATOM 1018 N ASP A 64 -0.242 -18.163 -4.087 1.00 0.00 N ATOM 1019 CA ASP A 64 0.875 -18.516 -3.218 1.00 0.00 C ATOM 1020 C ASP A 64 2.214 -18.243 -3.895 1.00 0.00 C ATOM 1021 O ASP A 64 2.509 -18.782 -4.960 1.00 0.00 O ATOM 1022 CB ASP A 64 0.788 -19.996 -2.837 1.00 0.00 C ATOM 1023 CG ASP A 64 0.482 -20.835 -4.073 1.00 0.00 C ATOM 1024 OD1 ASP A 64 1.281 -20.808 -4.997 1.00 0.00 O ATOM 1025 OD2 ASP A 64 -0.544 -21.494 -4.078 1.00 0.00 O ATOM 0 H ASP A 64 -0.660 -18.952 -4.581 1.00 0.00 H new ATOM 0 HA ASP A 64 0.812 -17.898 -2.322 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.728 -20.321 -2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.011 -20.142 -2.087 1.00 0.00 H new ATOM 1030 N GLY A 65 3.026 -17.419 -3.246 1.00 0.00 N ATOM 1031 CA GLY A 65 4.352 -17.093 -3.770 1.00 0.00 C ATOM 1032 C GLY A 65 4.309 -16.020 -4.861 1.00 0.00 C ATOM 1033 O GLY A 65 5.335 -15.717 -5.470 1.00 0.00 O ATOM 0 H GLY A 65 2.795 -16.965 -2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.987 -16.749 -2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.811 -17.996 -4.172 1.00 0.00 H new ATOM 1037 N ASP A 66 3.135 -15.447 -5.115 1.00 0.00 N ATOM 1038 CA ASP A 66 3.023 -14.418 -6.148 1.00 0.00 C ATOM 1039 C ASP A 66 3.868 -13.198 -5.787 1.00 0.00 C ATOM 1040 O ASP A 66 4.549 -13.177 -4.761 1.00 0.00 O ATOM 1041 CB ASP A 66 1.555 -13.996 -6.332 1.00 0.00 C ATOM 1042 CG ASP A 66 1.218 -13.860 -7.816 1.00 0.00 C ATOM 1043 OD1 ASP A 66 2.138 -13.684 -8.600 1.00 0.00 O ATOM 1044 OD2 ASP A 66 0.047 -13.928 -8.147 1.00 0.00 O ATOM 0 H ASP A 66 2.265 -15.670 -4.632 1.00 0.00 H new ATOM 0 HA ASP A 66 3.392 -14.838 -7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.898 -14.733 -5.870 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.377 -13.048 -5.824 1.00 0.00 H new ATOM 1049 N GLN A 67 3.807 -12.182 -6.639 1.00 0.00 N ATOM 1050 CA GLN A 67 4.561 -10.949 -6.415 1.00 0.00 C ATOM 1051 C GLN A 67 3.662 -9.742 -6.646 1.00 0.00 C ATOM 1052 O GLN A 67 2.824 -9.746 -7.548 1.00 0.00 O ATOM 1053 CB GLN A 67 5.759 -10.889 -7.363 1.00 0.00 C ATOM 1054 CG GLN A 67 6.553 -12.192 -7.267 1.00 0.00 C ATOM 1055 CD GLN A 67 7.769 -12.132 -8.184 1.00 0.00 C ATOM 1056 OE1 GLN A 67 8.508 -13.109 -8.304 1.00 0.00 O ATOM 1057 NE2 GLN A 67 8.021 -11.035 -8.845 1.00 0.00 N ATOM 0 H GLN A 67 3.245 -12.185 -7.490 1.00 0.00 H new ATOM 0 HA GLN A 67 4.920 -10.937 -5.386 1.00 0.00 H new ATOM 0 HB2 GLN A 67 5.418 -10.733 -8.387 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.397 -10.043 -7.107 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.872 -12.358 -6.238 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.920 -13.034 -7.545 1.00 0.00 H new ATOM 0 HE21 GLN A 67 7.407 -10.226 -8.744 1.00 0.00 H new ATOM 0 HE22 GLN A 67 8.832 -10.986 -9.462 1.00 0.00 H new ATOM 1066 N VAL A 68 3.829 -8.711 -5.820 1.00 0.00 N ATOM 1067 CA VAL A 68 3.012 -7.507 -5.944 1.00 0.00 C ATOM 1068 C VAL A 68 3.882 -6.259 -5.975 1.00 0.00 C ATOM 1069 O VAL A 68 4.491 -5.892 -4.974 1.00 0.00 O ATOM 1070 CB VAL A 68 2.043 -7.417 -4.759 1.00 0.00 C ATOM 1071 CG1 VAL A 68 0.785 -6.648 -5.172 1.00 0.00 C ATOM 1072 CG2 VAL A 68 1.659 -8.828 -4.304 1.00 0.00 C ATOM 0 H VAL A 68 4.515 -8.685 -5.066 1.00 0.00 H new ATOM 0 HA VAL A 68 2.455 -7.568 -6.879 1.00 0.00 H new ATOM 0 HB VAL A 68 2.528 -6.890 -3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.101 -6.588 -4.325 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.061 -5.642 -5.488 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.296 -7.166 -5.997 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.970 -8.764 -3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.178 -9.357 -5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.555 -9.369 -3.999 1.00 0.00 H new ATOM 1082 N VAL A 69 3.920 -5.589 -7.118 1.00 0.00 N ATOM 1083 CA VAL A 69 4.698 -4.373 -7.231 1.00 0.00 C ATOM 1084 C VAL A 69 4.033 -3.293 -6.398 1.00 0.00 C ATOM 1085 O VAL A 69 2.812 -3.260 -6.288 1.00 0.00 O ATOM 1086 CB VAL A 69 4.780 -3.929 -8.693 1.00 0.00 C ATOM 1087 CG1 VAL A 69 5.636 -2.665 -8.796 1.00 0.00 C ATOM 1088 CG2 VAL A 69 5.414 -5.043 -9.528 1.00 0.00 C ATOM 0 H VAL A 69 3.427 -5.865 -7.967 1.00 0.00 H new ATOM 0 HA VAL A 69 5.711 -4.551 -6.870 1.00 0.00 H new ATOM 0 HB VAL A 69 3.777 -3.720 -9.066 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.694 -2.349 -9.838 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.185 -1.871 -8.200 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.639 -2.873 -8.423 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.473 -4.728 -10.570 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.417 -5.252 -9.155 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.805 -5.944 -9.455 1.00 0.00 H new ATOM 1098 N PHE A 70 4.832 -2.426 -5.803 1.00 0.00 N ATOM 1099 CA PHE A 70 4.284 -1.358 -4.972 1.00 0.00 C ATOM 1100 C PHE A 70 5.255 -0.184 -4.877 1.00 0.00 C ATOM 1101 O PHE A 70 6.397 -0.270 -5.327 1.00 0.00 O ATOM 1102 CB PHE A 70 3.968 -1.894 -3.572 1.00 0.00 C ATOM 1103 CG PHE A 70 5.197 -1.825 -2.698 1.00 0.00 C ATOM 1104 CD1 PHE A 70 6.183 -2.815 -2.790 1.00 0.00 C ATOM 1105 CD2 PHE A 70 5.349 -0.767 -1.794 1.00 0.00 C ATOM 1106 CE1 PHE A 70 7.319 -2.747 -1.977 1.00 0.00 C ATOM 1107 CE2 PHE A 70 6.485 -0.700 -0.982 1.00 0.00 C ATOM 1108 CZ PHE A 70 7.471 -1.690 -1.073 1.00 0.00 C ATOM 0 H PHE A 70 5.849 -2.435 -5.875 1.00 0.00 H new ATOM 0 HA PHE A 70 3.365 -1.001 -5.437 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.162 -1.312 -3.125 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.618 -2.924 -3.639 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.066 -3.631 -3.488 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.589 -0.003 -1.724 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.079 -3.511 -2.047 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.602 0.116 -0.284 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.349 -1.638 -0.446 1.00 0.00 H new ATOM 1118 N MET A 71 4.788 0.913 -4.283 1.00 0.00 N ATOM 1119 CA MET A 71 5.614 2.107 -4.128 1.00 0.00 C ATOM 1120 C MET A 71 5.163 2.912 -2.909 1.00 0.00 C ATOM 1121 O MET A 71 3.992 2.877 -2.530 1.00 0.00 O ATOM 1122 CB MET A 71 5.510 2.980 -5.389 1.00 0.00 C ATOM 1123 CG MET A 71 6.720 2.737 -6.297 1.00 0.00 C ATOM 1124 SD MET A 71 8.210 3.389 -5.502 1.00 0.00 S ATOM 1125 CE MET A 71 8.104 5.069 -6.166 1.00 0.00 C ATOM 0 H MET A 71 3.845 0.999 -3.903 1.00 0.00 H new ATOM 0 HA MET A 71 6.649 1.798 -3.984 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.590 2.749 -5.926 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.460 4.032 -5.109 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.835 1.670 -6.490 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.568 3.221 -7.262 1.00 0.00 H new ATOM 0 HE1 MET A 71 8.943 5.660 -5.797 1.00 0.00 H new ATOM 0 HE2 MET A 71 8.137 5.033 -7.255 1.00 0.00 H new ATOM 0 HE3 MET A 71 7.169 5.528 -5.846 1.00 0.00 H new ATOM 1135 N VAL A 72 6.099 3.641 -2.303 1.00 0.00 N ATOM 1136 CA VAL A 72 5.788 4.458 -1.132 1.00 0.00 C ATOM 1137 C VAL A 72 5.775 5.936 -1.504 1.00 0.00 C ATOM 1138 O VAL A 72 6.578 6.385 -2.321 1.00 0.00 O ATOM 1139 CB VAL A 72 6.822 4.219 -0.031 1.00 0.00 C ATOM 1140 CG1 VAL A 72 6.328 4.844 1.275 1.00 0.00 C ATOM 1141 CG2 VAL A 72 7.016 2.715 0.167 1.00 0.00 C ATOM 0 H VAL A 72 7.073 3.683 -2.602 1.00 0.00 H new ATOM 0 HA VAL A 72 4.801 4.173 -0.767 1.00 0.00 H new ATOM 0 HB VAL A 72 7.770 4.674 -0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.064 4.674 2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.187 5.916 1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.380 4.388 1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.753 2.543 0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.068 2.261 0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.366 2.268 -0.763 1.00 0.00 H new ATOM 1151 N SER A 73 4.857 6.688 -0.901 1.00 0.00 N ATOM 1152 CA SER A 73 4.749 8.120 -1.183 1.00 0.00 C ATOM 1153 C SER A 73 5.056 8.940 0.067 1.00 0.00 C ATOM 1154 O SER A 73 4.999 8.433 1.186 1.00 0.00 O ATOM 1155 CB SER A 73 3.342 8.448 -1.686 1.00 0.00 C ATOM 1156 OG SER A 73 3.397 9.609 -2.506 1.00 0.00 O ATOM 0 H SER A 73 4.183 6.336 -0.221 1.00 0.00 H new ATOM 0 HA SER A 73 5.476 8.376 -1.953 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.940 7.607 -2.252 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.671 8.615 -0.843 1.00 0.00 H new ATOM 0 HG SER A 73 2.498 9.822 -2.832 1.00 0.00 H new