USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 609 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 13 SER OG : rot -154:sc= 0.71 USER MOD Set 1.2: A 15 GLN : amide:sc= -0.349 K(o=0.36,f=-3.7!) USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= 0.25 USER MOD Set 2.2: A 11 THR OG1 : rot 180:sc= -0.0256 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0757 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 176:sc= -0.182 (180deg=-0.225) USER MOD Single : A 5 ASN : amide:sc= -0.966 K(o=-0.97,f=-1.6) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -3.16 K(o=-3.2,f=-4!) USER MOD Single : A 22 THR OG1 : rot 81:sc= 0.64 USER MOD Single : A 25 ASN : amide:sc= -0.471 K(o=-0.47,f=-1.7!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 28 GLN : amide:sc= -0.724 K(o=-0.72,f=-2.3!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.711 K(o=-0.71,f=-1.6) USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.00357) USER MOD Single : A 55 ASN : amide:sc= -0.415 X(o=-0.41,f=-0.43) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.019) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 67 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.268) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.536 -0.812 -0.841 1.00 0.00 N ATOM 2 CA GLY A 1 2.444 -0.586 -1.951 1.00 0.00 C ATOM 3 C GLY A 1 2.812 0.876 -2.110 1.00 0.00 C ATOM 4 O GLY A 1 2.511 1.711 -1.256 1.00 0.00 O ATOM 0 H1 GLY A 1 1.911 -1.569 -0.234 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.442 0.062 -0.286 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.603 -1.091 -1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.351 -1.171 -1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.984 -0.944 -2.872 1.00 0.00 H new ATOM 8 N PRO A 2 3.480 1.204 -3.226 1.00 0.00 N ATOM 9 CA PRO A 2 3.904 2.576 -3.520 1.00 0.00 C ATOM 10 C PRO A 2 2.727 3.492 -3.838 1.00 0.00 C ATOM 11 O PRO A 2 2.393 3.707 -5.004 1.00 0.00 O ATOM 12 CB PRO A 2 4.803 2.414 -4.749 1.00 0.00 C ATOM 13 CG PRO A 2 4.329 1.161 -5.401 1.00 0.00 C ATOM 14 CD PRO A 2 3.871 0.261 -4.287 1.00 0.00 C ATOM 0 HA PRO A 2 4.402 3.039 -2.668 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.714 3.268 -5.420 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.853 2.340 -4.465 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.515 1.367 -6.096 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.129 0.694 -5.976 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.035 -0.366 -4.595 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.666 -0.407 -3.958 1.00 0.00 H new ATOM 22 N ARG A 3 2.102 4.029 -2.795 1.00 0.00 N ATOM 23 CA ARG A 3 0.962 4.921 -2.965 1.00 0.00 C ATOM 24 C ARG A 3 0.599 5.596 -1.645 1.00 0.00 C ATOM 25 O ARG A 3 0.770 5.017 -0.572 1.00 0.00 O ATOM 26 CB ARG A 3 -0.243 4.146 -3.502 1.00 0.00 C ATOM 27 CG ARG A 3 -1.534 4.948 -3.496 1.00 0.00 C ATOM 28 CD ARG A 3 -2.713 4.110 -3.965 1.00 0.00 C ATOM 29 NE ARG A 3 -2.772 2.820 -3.284 1.00 0.00 N ATOM 30 CZ ARG A 3 -3.461 1.779 -3.739 1.00 0.00 C ATOM 31 NH1 ARG A 3 -4.145 1.876 -4.870 1.00 0.00 N ATOM 32 NH2 ARG A 3 -3.466 0.638 -3.062 1.00 0.00 N ATOM 0 H ARG A 3 2.366 3.862 -1.824 1.00 0.00 H new ATOM 0 HA ARG A 3 1.239 5.692 -3.684 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.031 3.822 -4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -0.382 3.246 -2.903 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.728 5.320 -2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.425 5.819 -4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.639 4.656 -3.788 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.639 3.949 -5.040 1.00 0.00 H new ATOM 0 HE ARG A 3 -2.256 2.712 -2.411 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.143 2.751 -5.394 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.673 1.075 -5.217 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -2.941 0.559 -2.191 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.995 -0.160 -3.412 1.00 0.00 H new ATOM 46 N LYS A 4 0.098 6.823 -1.732 1.00 0.00 N ATOM 47 CA LYS A 4 -0.290 7.578 -0.547 1.00 0.00 C ATOM 48 C LYS A 4 -1.736 8.051 -0.652 1.00 0.00 C ATOM 49 O LYS A 4 -2.475 8.040 0.332 1.00 0.00 O ATOM 50 CB LYS A 4 0.638 8.780 -0.356 1.00 0.00 C ATOM 51 CG LYS A 4 0.463 9.477 0.982 1.00 0.00 C ATOM 52 CD LYS A 4 0.660 8.515 2.142 1.00 0.00 C ATOM 53 CE LYS A 4 0.588 9.233 3.481 1.00 0.00 C ATOM 54 NZ LYS A 4 0.826 8.305 4.621 1.00 0.00 N ATOM 0 H LYS A 4 -0.049 7.317 -2.612 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.204 6.919 0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.672 8.449 -0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.458 9.498 -1.156 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.177 10.297 1.062 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.533 9.916 1.037 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.102 7.737 2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.626 8.020 2.045 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.327 10.034 3.504 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.391 9.700 3.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.836 8.843 5.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.067 7.595 4.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.741 7.828 4.495 1.00 0.00 H new ATOM 68 N ASN A 5 -2.134 8.463 -1.851 1.00 0.00 N ATOM 69 CA ASN A 5 -3.493 8.938 -2.084 1.00 0.00 C ATOM 70 C ASN A 5 -3.940 8.629 -3.510 1.00 0.00 C ATOM 71 O ASN A 5 -4.383 9.517 -4.238 1.00 0.00 O ATOM 72 CB ASN A 5 -3.580 10.444 -1.825 1.00 0.00 C ATOM 73 CG ASN A 5 -2.537 10.922 -0.834 1.00 0.00 C ATOM 74 OD1 ASN A 5 -1.387 11.168 -1.197 1.00 0.00 O ATOM 75 ND2 ASN A 5 -2.935 11.054 0.426 1.00 0.00 N ATOM 0 H ASN A 5 -1.535 8.478 -2.676 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.157 8.418 -1.393 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.455 10.979 -2.766 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -4.573 10.688 -1.449 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -2.277 11.371 1.138 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.899 10.839 0.682 1.00 0.00 H new ATOM 82 N ARG A 6 -3.821 7.365 -3.900 1.00 0.00 N ATOM 83 CA ARG A 6 -4.212 6.938 -5.238 1.00 0.00 C ATOM 84 C ARG A 6 -3.328 7.591 -6.297 1.00 0.00 C ATOM 85 O ARG A 6 -3.639 7.554 -7.488 1.00 0.00 O ATOM 86 CB ARG A 6 -5.679 7.285 -5.499 1.00 0.00 C ATOM 87 CG ARG A 6 -6.565 7.147 -4.272 1.00 0.00 C ATOM 88 CD ARG A 6 -6.446 5.764 -3.652 1.00 0.00 C ATOM 89 NE ARG A 6 -6.758 4.706 -4.609 1.00 0.00 N ATOM 90 CZ ARG A 6 -7.995 4.381 -4.968 1.00 0.00 C ATOM 91 NH1 ARG A 6 -9.030 5.028 -4.452 1.00 0.00 N ATOM 92 NH2 ARG A 6 -8.198 3.407 -5.846 1.00 0.00 N ATOM 0 H ARG A 6 -3.457 6.618 -3.309 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.085 5.857 -5.299 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.741 8.309 -5.868 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.062 6.638 -6.288 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.289 7.902 -3.536 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.603 7.335 -4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.434 5.623 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.119 5.690 -2.798 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.984 4.188 -5.025 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.878 5.778 -3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.979 4.776 -4.730 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.404 2.907 -6.246 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.148 3.158 -6.121 1.00 0.00 H new ATOM 106 N ARG A 7 -2.226 8.187 -5.854 1.00 0.00 N ATOM 107 CA ARG A 7 -1.298 8.849 -6.763 1.00 0.00 C ATOM 108 C ARG A 7 0.036 8.110 -6.813 1.00 0.00 C ATOM 109 O ARG A 7 0.576 7.715 -5.780 1.00 0.00 O ATOM 110 CB ARG A 7 -1.073 10.299 -6.330 1.00 0.00 C ATOM 111 CG ARG A 7 -2.152 11.254 -6.816 1.00 0.00 C ATOM 112 CD ARG A 7 -2.008 11.546 -8.301 1.00 0.00 C ATOM 113 NE ARG A 7 -2.989 12.526 -8.763 1.00 0.00 N ATOM 114 CZ ARG A 7 -4.278 12.253 -8.927 1.00 0.00 C ATOM 115 NH1 ARG A 7 -4.741 11.038 -8.668 1.00 0.00 N ATOM 116 NH2 ARG A 7 -5.108 13.198 -9.351 1.00 0.00 N ATOM 0 H ARG A 7 -1.954 8.225 -4.872 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.737 8.838 -7.760 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.025 10.341 -5.242 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.106 10.635 -6.705 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.135 10.824 -6.622 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.095 12.186 -6.253 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.003 11.917 -8.502 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.126 10.621 -8.866 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.666 13.471 -8.971 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.106 10.309 -8.342 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.732 10.832 -8.795 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.756 14.134 -9.551 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.098 12.988 -9.477 1.00 0.00 H new ATOM 130 N GLU A 8 0.560 7.925 -8.020 1.00 0.00 N ATOM 131 CA GLU A 8 1.830 7.232 -8.204 1.00 0.00 C ATOM 132 C GLU A 8 2.353 7.422 -9.624 1.00 0.00 C ATOM 133 O GLU A 8 1.583 7.663 -10.554 1.00 0.00 O ATOM 134 CB GLU A 8 1.670 5.740 -7.902 1.00 0.00 C ATOM 135 CG GLU A 8 0.403 5.134 -8.484 1.00 0.00 C ATOM 136 CD GLU A 8 -0.807 5.346 -7.595 1.00 0.00 C ATOM 137 OE1 GLU A 8 -0.646 5.313 -6.357 1.00 0.00 O ATOM 138 OE2 GLU A 8 -1.914 5.545 -8.137 1.00 0.00 O ATOM 0 H GLU A 8 0.125 8.245 -8.885 1.00 0.00 H new ATOM 0 HA GLU A 8 2.553 7.661 -7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.533 5.204 -8.296 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.669 5.594 -6.822 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.211 5.573 -9.463 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.553 4.065 -8.638 1.00 0.00 H new ATOM 145 N ARG A 9 3.668 7.312 -9.784 1.00 0.00 N ATOM 146 CA ARG A 9 4.296 7.473 -11.090 1.00 0.00 C ATOM 147 C ARG A 9 3.677 6.523 -12.111 1.00 0.00 C ATOM 148 O ARG A 9 3.699 6.786 -13.314 1.00 0.00 O ATOM 149 CB ARG A 9 5.801 7.222 -10.990 1.00 0.00 C ATOM 150 CG ARG A 9 6.615 7.981 -12.025 1.00 0.00 C ATOM 151 CD ARG A 9 6.868 7.136 -13.264 1.00 0.00 C ATOM 152 NE ARG A 9 7.215 7.954 -14.423 1.00 0.00 N ATOM 153 CZ ARG A 9 6.350 8.741 -15.053 1.00 0.00 C ATOM 154 NH1 ARG A 9 5.093 8.816 -14.638 1.00 0.00 N ATOM 155 NH2 ARG A 9 6.742 9.455 -16.100 1.00 0.00 N ATOM 0 H ARG A 9 4.319 7.112 -9.025 1.00 0.00 H new ATOM 0 HA ARG A 9 4.127 8.497 -11.423 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.142 7.504 -9.994 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.991 6.155 -11.102 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.088 8.893 -12.306 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.567 8.284 -11.590 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.675 6.431 -13.063 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.979 6.547 -13.489 1.00 0.00 H new ATOM 0 HE ARG A 9 8.174 7.919 -14.768 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.788 8.269 -13.833 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.431 9.421 -15.124 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.708 9.400 -16.422 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.077 10.059 -16.583 1.00 0.00 H new ATOM 169 N THR A 10 3.125 5.416 -11.624 1.00 0.00 N ATOM 170 CA THR A 10 2.502 4.426 -12.493 1.00 0.00 C ATOM 171 C THR A 10 1.856 3.309 -11.680 1.00 0.00 C ATOM 172 O THR A 10 1.744 3.402 -10.457 1.00 0.00 O ATOM 173 CB THR A 10 3.524 3.811 -13.467 1.00 0.00 C ATOM 174 OG1 THR A 10 2.843 3.120 -14.520 1.00 0.00 O ATOM 175 CG2 THR A 10 4.454 2.850 -12.741 1.00 0.00 C ATOM 0 H THR A 10 3.097 5.183 -10.631 1.00 0.00 H new ATOM 0 HA THR A 10 1.734 4.947 -13.065 1.00 0.00 H new ATOM 0 HB THR A 10 4.121 4.619 -13.890 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.500 2.733 -15.136 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.167 2.428 -13.450 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.993 3.386 -11.960 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.869 2.047 -12.293 1.00 0.00 H new ATOM 183 N THR A 11 1.433 2.253 -12.367 1.00 0.00 N ATOM 184 CA THR A 11 0.798 1.118 -11.709 1.00 0.00 C ATOM 185 C THR A 11 1.587 0.683 -10.479 1.00 0.00 C ATOM 186 O THR A 11 1.080 0.724 -9.358 1.00 0.00 O ATOM 187 CB THR A 11 0.659 -0.081 -12.666 1.00 0.00 C ATOM 188 OG1 THR A 11 1.924 -0.375 -13.269 1.00 0.00 O ATOM 189 CG2 THR A 11 -0.370 0.207 -13.749 1.00 0.00 C ATOM 0 H THR A 11 1.519 2.160 -13.379 1.00 0.00 H new ATOM 0 HA THR A 11 -0.195 1.446 -11.403 1.00 0.00 H new ATOM 0 HB THR A 11 0.323 -0.942 -12.088 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.828 -1.139 -13.875 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.451 -0.654 -14.413 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.338 0.402 -13.288 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.059 1.080 -14.323 1.00 0.00 H new ATOM 197 N TYR A 12 2.830 0.268 -10.696 1.00 0.00 N ATOM 198 CA TYR A 12 3.689 -0.176 -9.605 1.00 0.00 C ATOM 199 C TYR A 12 5.161 -0.032 -9.977 1.00 0.00 C ATOM 200 O TYR A 12 5.684 -0.793 -10.792 1.00 0.00 O ATOM 201 CB TYR A 12 3.382 -1.631 -9.246 1.00 0.00 C ATOM 202 CG TYR A 12 2.126 -1.798 -8.420 1.00 0.00 C ATOM 203 CD1 TYR A 12 1.994 -1.176 -7.185 1.00 0.00 C ATOM 204 CD2 TYR A 12 1.070 -2.578 -8.877 1.00 0.00 C ATOM 205 CE1 TYR A 12 0.849 -1.328 -6.427 1.00 0.00 C ATOM 206 CE2 TYR A 12 -0.079 -2.734 -8.127 1.00 0.00 C ATOM 207 CZ TYR A 12 -0.185 -2.107 -6.903 1.00 0.00 C ATOM 208 OH TYR A 12 -1.328 -2.259 -6.152 1.00 0.00 O ATOM 0 H TYR A 12 3.265 0.230 -11.618 1.00 0.00 H new ATOM 0 HA TYR A 12 3.489 0.455 -8.739 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.283 -2.210 -10.164 1.00 0.00 H new ATOM 0 HB3 TYR A 12 4.226 -2.047 -8.696 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.801 -0.563 -6.811 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.150 -3.070 -9.835 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.764 -0.840 -5.467 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.890 -3.344 -8.497 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.959 -2.837 -6.630 1.00 0.00 H new ATOM 218 N SER A 13 5.825 0.949 -9.374 1.00 0.00 N ATOM 219 CA SER A 13 7.237 1.195 -9.643 1.00 0.00 C ATOM 220 C SER A 13 7.991 1.501 -8.353 1.00 0.00 C ATOM 221 O SER A 13 7.389 1.850 -7.337 1.00 0.00 O ATOM 222 CB SER A 13 7.394 2.356 -10.627 1.00 0.00 C ATOM 223 OG SER A 13 8.261 2.008 -11.693 1.00 0.00 O ATOM 0 H SER A 13 5.408 1.586 -8.696 1.00 0.00 H new ATOM 0 HA SER A 13 7.661 0.293 -10.085 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.418 2.635 -11.024 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.787 3.229 -10.105 1.00 0.00 H new ATOM 0 HG SER A 13 8.667 2.820 -12.063 1.00 0.00 H new ATOM 229 N ARG A 14 9.312 1.367 -8.401 1.00 0.00 N ATOM 230 CA ARG A 14 10.149 1.628 -7.236 1.00 0.00 C ATOM 231 C ARG A 14 10.401 3.124 -7.072 1.00 0.00 C ATOM 232 O ARG A 14 10.766 3.586 -5.991 1.00 0.00 O ATOM 233 CB ARG A 14 11.481 0.887 -7.363 1.00 0.00 C ATOM 234 CG ARG A 14 12.276 1.269 -8.600 1.00 0.00 C ATOM 235 CD ARG A 14 12.147 0.219 -9.692 1.00 0.00 C ATOM 236 NE ARG A 14 13.376 0.083 -10.469 1.00 0.00 N ATOM 237 CZ ARG A 14 13.430 -0.494 -11.665 1.00 0.00 C ATOM 238 NH1 ARG A 14 12.329 -0.985 -12.218 1.00 0.00 N ATOM 239 NH2 ARG A 14 14.586 -0.580 -12.310 1.00 0.00 N ATOM 0 H ARG A 14 9.826 1.079 -9.234 1.00 0.00 H new ATOM 0 HA ARG A 14 9.622 1.267 -6.353 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.084 1.088 -6.478 1.00 0.00 H new ATOM 0 HB3 ARG A 14 11.290 -0.186 -7.382 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.927 2.231 -8.976 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.326 1.393 -8.335 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.894 -0.741 -9.243 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.326 0.487 -10.357 1.00 0.00 H new ATOM 0 HE ARG A 14 14.240 0.451 -10.072 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.438 -0.920 -11.725 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.373 -1.427 -13.136 1.00 0.00 H new ATOM 0 HH21 ARG A 14 15.435 -0.203 -11.888 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.626 -1.023 -13.228 1.00 0.00 H new ATOM 253 N GLN A 15 10.205 3.874 -8.151 1.00 0.00 N ATOM 254 CA GLN A 15 10.413 5.317 -8.126 1.00 0.00 C ATOM 255 C GLN A 15 9.660 5.955 -6.963 1.00 0.00 C ATOM 256 O GLN A 15 10.234 6.717 -6.185 1.00 0.00 O ATOM 257 CB GLN A 15 9.959 5.942 -9.447 1.00 0.00 C ATOM 258 CG GLN A 15 10.710 5.416 -10.659 1.00 0.00 C ATOM 259 CD GLN A 15 9.894 5.500 -11.933 1.00 0.00 C ATOM 260 OE1 GLN A 15 8.948 4.737 -12.130 1.00 0.00 O ATOM 261 NE2 GLN A 15 10.256 6.431 -12.808 1.00 0.00 N ATOM 0 H GLN A 15 9.903 3.507 -9.053 1.00 0.00 H new ATOM 0 HA GLN A 15 11.479 5.503 -7.991 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.894 5.755 -9.581 1.00 0.00 H new ATOM 0 HB3 GLN A 15 10.088 7.023 -9.391 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.632 5.984 -10.785 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.996 4.379 -10.483 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.047 7.042 -12.604 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.743 6.535 -13.684 1.00 0.00 H new ATOM 270 N GLN A 16 8.374 5.639 -6.852 1.00 0.00 N ATOM 271 CA GLN A 16 7.544 6.183 -5.784 1.00 0.00 C ATOM 272 C GLN A 16 8.159 5.898 -4.418 1.00 0.00 C ATOM 273 O GLN A 16 8.024 6.693 -3.487 1.00 0.00 O ATOM 274 CB GLN A 16 6.134 5.594 -5.855 1.00 0.00 C ATOM 275 CG GLN A 16 5.400 5.927 -7.144 1.00 0.00 C ATOM 276 CD GLN A 16 5.066 4.694 -7.961 1.00 0.00 C ATOM 277 OE1 GLN A 16 4.242 3.873 -7.558 1.00 0.00 O ATOM 278 NE2 GLN A 16 5.706 4.559 -9.117 1.00 0.00 N ATOM 0 H GLN A 16 7.885 5.010 -7.488 1.00 0.00 H new ATOM 0 HA GLN A 16 7.486 7.263 -5.918 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.196 4.511 -5.751 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.552 5.962 -5.010 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.480 6.461 -6.906 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.013 6.600 -7.743 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.381 5.265 -9.412 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.522 3.750 -9.710 1.00 0.00 H new ATOM 287 N LEU A 17 8.833 4.759 -4.304 1.00 0.00 N ATOM 288 CA LEU A 17 9.469 4.368 -3.051 1.00 0.00 C ATOM 289 C LEU A 17 10.894 4.905 -2.973 1.00 0.00 C ATOM 290 O LEU A 17 11.523 4.870 -1.916 1.00 0.00 O ATOM 291 CB LEU A 17 9.477 2.845 -2.914 1.00 0.00 C ATOM 292 CG LEU A 17 8.113 2.157 -2.983 1.00 0.00 C ATOM 293 CD1 LEU A 17 8.127 1.048 -4.024 1.00 0.00 C ATOM 294 CD2 LEU A 17 7.724 1.605 -1.619 1.00 0.00 C ATOM 0 H LEU A 17 8.953 4.090 -5.064 1.00 0.00 H new ATOM 0 HA LEU A 17 8.894 4.797 -2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.109 2.433 -3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.943 2.588 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 17 7.369 2.897 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.148 0.570 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.360 1.470 -5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.883 0.309 -3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.751 1.119 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.470 0.880 -1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.672 2.421 -0.898 1.00 0.00 H new ATOM 306 N GLU A 18 11.396 5.403 -4.098 1.00 0.00 N ATOM 307 CA GLU A 18 12.747 5.949 -4.156 1.00 0.00 C ATOM 308 C GLU A 18 12.823 7.291 -3.434 1.00 0.00 C ATOM 309 O GLU A 18 13.779 7.564 -2.708 1.00 0.00 O ATOM 310 CB GLU A 18 13.193 6.114 -5.611 1.00 0.00 C ATOM 311 CG GLU A 18 13.537 4.801 -6.294 1.00 0.00 C ATOM 312 CD GLU A 18 15.021 4.492 -6.250 1.00 0.00 C ATOM 313 OE1 GLU A 18 15.749 4.943 -7.159 1.00 0.00 O ATOM 314 OE2 GLU A 18 15.455 3.800 -5.305 1.00 0.00 O ATOM 0 H GLU A 18 10.888 5.440 -4.982 1.00 0.00 H new ATOM 0 HA GLU A 18 13.416 5.249 -3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.400 6.609 -6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.063 6.770 -5.644 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.987 3.991 -5.815 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.208 4.839 -7.333 1.00 0.00 H new ATOM 321 N ILE A 19 11.809 8.125 -3.640 1.00 0.00 N ATOM 322 CA ILE A 19 11.761 9.438 -3.010 1.00 0.00 C ATOM 323 C ILE A 19 12.154 9.356 -1.539 1.00 0.00 C ATOM 324 O ILE A 19 12.833 10.242 -1.016 1.00 0.00 O ATOM 325 CB ILE A 19 10.358 10.065 -3.120 1.00 0.00 C ATOM 326 CG1 ILE A 19 9.876 10.037 -4.572 1.00 0.00 C ATOM 327 CG2 ILE A 19 10.371 11.490 -2.588 1.00 0.00 C ATOM 328 CD1 ILE A 19 8.688 9.128 -4.797 1.00 0.00 C ATOM 0 H ILE A 19 11.010 7.914 -4.238 1.00 0.00 H new ATOM 0 HA ILE A 19 12.474 10.069 -3.540 1.00 0.00 H new ATOM 0 HB ILE A 19 9.666 9.479 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.612 11.049 -4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.697 9.714 -5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.373 11.919 -2.673 1.00 0.00 H new ATOM 0 HG22 ILE A 19 10.676 11.485 -1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.073 12.089 -3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.401 9.158 -5.848 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.954 8.107 -4.522 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.852 9.463 -4.183 1.00 0.00 H new ATOM 340 N LEU A 20 11.726 8.288 -0.876 1.00 0.00 N ATOM 341 CA LEU A 20 12.035 8.088 0.536 1.00 0.00 C ATOM 342 C LEU A 20 13.277 7.218 0.704 1.00 0.00 C ATOM 343 O LEU A 20 14.287 7.662 1.248 1.00 0.00 O ATOM 344 CB LEU A 20 10.847 7.444 1.252 1.00 0.00 C ATOM 345 CG LEU A 20 9.479 7.647 0.599 1.00 0.00 C ATOM 346 CD1 LEU A 20 9.269 9.110 0.243 1.00 0.00 C ATOM 347 CD2 LEU A 20 9.344 6.771 -0.639 1.00 0.00 C ATOM 0 H LEU A 20 11.164 7.546 -1.293 1.00 0.00 H new ATOM 0 HA LEU A 20 12.234 9.063 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.034 6.373 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.804 7.837 2.268 1.00 0.00 H new ATOM 0 HG LEU A 20 8.710 7.354 1.314 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.290 9.235 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.322 9.716 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.044 9.430 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.365 6.928 -1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.121 7.033 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.449 5.723 -0.357 1.00 0.00 H new ATOM 359 N GLU A 21 13.193 5.979 0.230 1.00 0.00 N ATOM 360 CA GLU A 21 14.312 5.048 0.327 1.00 0.00 C ATOM 361 C GLU A 21 15.625 5.737 -0.031 1.00 0.00 C ATOM 362 O GLU A 21 16.691 5.362 0.460 1.00 0.00 O ATOM 363 CB GLU A 21 14.085 3.846 -0.593 1.00 0.00 C ATOM 364 CG GLU A 21 14.521 2.524 0.016 1.00 0.00 C ATOM 365 CD GLU A 21 14.866 1.485 -1.034 1.00 0.00 C ATOM 366 OE1 GLU A 21 14.201 1.464 -2.090 1.00 0.00 O ATOM 367 OE2 GLU A 21 15.802 0.693 -0.797 1.00 0.00 O ATOM 0 H GLU A 21 12.364 5.597 -0.224 1.00 0.00 H new ATOM 0 HA GLU A 21 14.374 4.700 1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.027 3.788 -0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.628 4.004 -1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.388 2.691 0.656 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.724 2.141 0.653 1.00 0.00 H new ATOM 374 N THR A 22 15.542 6.746 -0.892 1.00 0.00 N ATOM 375 CA THR A 22 16.723 7.487 -1.318 1.00 0.00 C ATOM 376 C THR A 22 16.961 8.701 -0.429 1.00 0.00 C ATOM 377 O THR A 22 18.062 8.899 0.087 1.00 0.00 O ATOM 378 CB THR A 22 16.596 7.953 -2.781 1.00 0.00 C ATOM 379 OG1 THR A 22 16.239 6.847 -3.618 1.00 0.00 O ATOM 380 CG2 THR A 22 17.900 8.565 -3.269 1.00 0.00 C ATOM 0 H THR A 22 14.669 7.069 -1.308 1.00 0.00 H new ATOM 0 HA THR A 22 17.570 6.807 -1.233 1.00 0.00 H new ATOM 0 HB THR A 22 15.816 8.713 -2.831 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.275 6.685 -3.552 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.786 8.887 -4.304 1.00 0.00 H new ATOM 0 HG22 THR A 22 18.154 9.424 -2.648 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.696 7.823 -3.205 1.00 0.00 H new ATOM 388 N LEU A 23 15.924 9.512 -0.253 1.00 0.00 N ATOM 389 CA LEU A 23 16.020 10.709 0.576 1.00 0.00 C ATOM 390 C LEU A 23 16.012 10.347 2.058 1.00 0.00 C ATOM 391 O LEU A 23 16.997 10.561 2.765 1.00 0.00 O ATOM 392 CB LEU A 23 14.864 11.662 0.266 1.00 0.00 C ATOM 393 CG LEU A 23 15.009 13.088 0.800 1.00 0.00 C ATOM 394 CD1 LEU A 23 14.031 14.021 0.103 1.00 0.00 C ATOM 395 CD2 LEU A 23 14.795 13.117 2.307 1.00 0.00 C ATOM 0 H LEU A 23 15.007 9.363 -0.673 1.00 0.00 H new ATOM 0 HA LEU A 23 16.963 11.205 0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 23 14.740 11.711 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 23 13.948 11.234 0.673 1.00 0.00 H new ATOM 0 HG LEU A 23 16.021 13.433 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 23 14.149 15.031 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 23 14.231 14.023 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 23 13.012 13.679 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.902 14.139 2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.795 12.752 2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.535 12.481 2.792 1.00 0.00 H new ATOM 407 N PHE A 24 14.895 9.795 2.521 1.00 0.00 N ATOM 408 CA PHE A 24 14.760 9.402 3.918 1.00 0.00 C ATOM 409 C PHE A 24 16.011 8.674 4.403 1.00 0.00 C ATOM 410 O PHE A 24 16.422 8.823 5.552 1.00 0.00 O ATOM 411 CB PHE A 24 13.533 8.506 4.101 1.00 0.00 C ATOM 412 CG PHE A 24 13.439 7.888 5.467 1.00 0.00 C ATOM 413 CD1 PHE A 24 12.849 8.576 6.515 1.00 0.00 C ATOM 414 CD2 PHE A 24 13.943 6.619 5.704 1.00 0.00 C ATOM 415 CE1 PHE A 24 12.761 8.011 7.773 1.00 0.00 C ATOM 416 CE2 PHE A 24 13.858 6.048 6.959 1.00 0.00 C ATOM 417 CZ PHE A 24 13.268 6.745 7.995 1.00 0.00 C ATOM 0 H PHE A 24 14.071 9.610 1.949 1.00 0.00 H new ATOM 0 HA PHE A 24 14.634 10.307 4.513 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.634 9.093 3.914 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.557 7.713 3.353 1.00 0.00 H new ATOM 0 HD1 PHE A 24 12.453 9.566 6.347 1.00 0.00 H new ATOM 0 HD2 PHE A 24 14.408 6.070 4.898 1.00 0.00 H new ATOM 0 HE1 PHE A 24 12.297 8.558 8.581 1.00 0.00 H new ATOM 0 HE2 PHE A 24 14.253 5.057 7.130 1.00 0.00 H new ATOM 0 HZ PHE A 24 13.203 6.301 8.977 1.00 0.00 H new ATOM 427 N ASN A 25 16.610 7.886 3.516 1.00 0.00 N ATOM 428 CA ASN A 25 17.814 7.134 3.852 1.00 0.00 C ATOM 429 C ASN A 25 19.046 8.033 3.813 1.00 0.00 C ATOM 430 O ASN A 25 19.902 7.966 4.694 1.00 0.00 O ATOM 431 CB ASN A 25 17.994 5.961 2.886 1.00 0.00 C ATOM 432 CG ASN A 25 19.066 4.993 3.347 1.00 0.00 C ATOM 433 OD1 ASN A 25 19.912 5.333 4.173 1.00 0.00 O ATOM 434 ND2 ASN A 25 19.034 3.778 2.812 1.00 0.00 N ATOM 0 H ASN A 25 16.282 7.752 2.560 1.00 0.00 H new ATOM 0 HA ASN A 25 17.700 6.748 4.865 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.048 5.430 2.784 1.00 0.00 H new ATOM 0 HB3 ASN A 25 18.253 6.343 1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.730 3.083 3.083 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.314 3.540 2.130 1.00 0.00 H new ATOM 441 N GLU A 26 19.126 8.874 2.787 1.00 0.00 N ATOM 442 CA GLU A 26 20.253 9.786 2.634 1.00 0.00 C ATOM 443 C GLU A 26 20.461 10.611 3.900 1.00 0.00 C ATOM 444 O GLU A 26 21.582 10.744 4.392 1.00 0.00 O ATOM 445 CB GLU A 26 20.028 10.714 1.438 1.00 0.00 C ATOM 446 CG GLU A 26 21.143 11.727 1.235 1.00 0.00 C ATOM 447 CD GLU A 26 22.490 11.071 0.996 1.00 0.00 C ATOM 448 OE1 GLU A 26 22.636 10.374 -0.029 1.00 0.00 O ATOM 449 OE2 GLU A 26 23.397 11.256 1.835 1.00 0.00 O ATOM 0 H GLU A 26 18.424 8.943 2.050 1.00 0.00 H new ATOM 0 HA GLU A 26 21.149 9.190 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 26 19.927 10.111 0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 26 19.086 11.245 1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 26 20.898 12.366 0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 26 21.207 12.372 2.111 1.00 0.00 H new ATOM 456 N THR A 27 19.372 11.166 4.424 1.00 0.00 N ATOM 457 CA THR A 27 19.434 11.979 5.631 1.00 0.00 C ATOM 458 C THR A 27 18.042 12.425 6.066 1.00 0.00 C ATOM 459 O THR A 27 17.055 12.165 5.378 1.00 0.00 O ATOM 460 CB THR A 27 20.318 13.224 5.426 1.00 0.00 C ATOM 461 OG1 THR A 27 20.548 13.436 4.028 1.00 0.00 O ATOM 462 CG2 THR A 27 21.648 13.068 6.146 1.00 0.00 C ATOM 0 H THR A 27 18.436 11.067 4.030 1.00 0.00 H new ATOM 0 HA THR A 27 19.873 11.355 6.409 1.00 0.00 H new ATOM 0 HB THR A 27 19.797 14.086 5.843 1.00 0.00 H new ATOM 0 HG1 THR A 27 21.109 14.230 3.906 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.255 13.959 5.987 1.00 0.00 H new ATOM 0 HG22 THR A 27 21.471 12.936 7.213 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.173 12.197 5.755 1.00 0.00 H new ATOM 470 N GLN A 28 17.971 13.097 7.210 1.00 0.00 N ATOM 471 CA GLN A 28 16.699 13.578 7.736 1.00 0.00 C ATOM 472 C GLN A 28 16.566 15.085 7.544 1.00 0.00 C ATOM 473 O GLN A 28 16.098 15.796 8.434 1.00 0.00 O ATOM 474 CB GLN A 28 16.570 13.228 9.219 1.00 0.00 C ATOM 475 CG GLN A 28 16.729 11.744 9.510 1.00 0.00 C ATOM 476 CD GLN A 28 18.182 11.323 9.617 1.00 0.00 C ATOM 477 OE1 GLN A 28 19.050 12.127 9.960 1.00 0.00 O ATOM 478 NE2 GLN A 28 18.455 10.057 9.323 1.00 0.00 N ATOM 0 H GLN A 28 18.779 13.321 7.791 1.00 0.00 H new ATOM 0 HA GLN A 28 15.898 13.087 7.184 1.00 0.00 H new ATOM 0 HB2 GLN A 28 17.321 13.783 9.781 1.00 0.00 H new ATOM 0 HB3 GLN A 28 15.595 13.558 9.578 1.00 0.00 H new ATOM 0 HG2 GLN A 28 16.215 11.503 10.441 1.00 0.00 H new ATOM 0 HG3 GLN A 28 16.245 11.169 8.721 1.00 0.00 H new ATOM 0 HE21 GLN A 28 17.705 9.425 9.043 1.00 0.00 H new ATOM 0 HE22 GLN A 28 19.415 9.716 9.377 1.00 0.00 H new ATOM 487 N TYR A 29 16.981 15.567 6.377 1.00 0.00 N ATOM 488 CA TYR A 29 16.910 16.990 6.069 1.00 0.00 C ATOM 489 C TYR A 29 15.882 17.261 4.975 1.00 0.00 C ATOM 490 O TYR A 29 16.218 17.459 3.807 1.00 0.00 O ATOM 491 CB TYR A 29 18.282 17.508 5.635 1.00 0.00 C ATOM 492 CG TYR A 29 19.375 17.252 6.648 1.00 0.00 C ATOM 493 CD1 TYR A 29 19.173 17.517 7.998 1.00 0.00 C ATOM 494 CD2 TYR A 29 20.609 16.747 6.257 1.00 0.00 C ATOM 495 CE1 TYR A 29 20.168 17.285 8.927 1.00 0.00 C ATOM 496 CE2 TYR A 29 21.609 16.511 7.180 1.00 0.00 C ATOM 497 CZ TYR A 29 21.384 16.782 8.514 1.00 0.00 C ATOM 498 OH TYR A 29 22.379 16.550 9.436 1.00 0.00 O ATOM 0 H TYR A 29 17.370 14.993 5.629 1.00 0.00 H new ATOM 0 HA TYR A 29 16.599 17.516 6.972 1.00 0.00 H new ATOM 0 HB2 TYR A 29 18.556 17.038 4.691 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.214 18.580 5.450 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.222 17.911 8.325 1.00 0.00 H new ATOM 0 HD2 TYR A 29 20.789 16.535 5.213 1.00 0.00 H new ATOM 0 HE1 TYR A 29 19.995 17.496 9.972 1.00 0.00 H new ATOM 0 HE2 TYR A 29 22.562 16.116 6.859 1.00 0.00 H new ATOM 0 HH TYR A 29 23.171 16.195 8.981 1.00 0.00 H new ATOM 508 N PRO A 30 14.598 17.270 5.360 1.00 0.00 N ATOM 509 CA PRO A 30 13.493 17.516 4.429 1.00 0.00 C ATOM 510 C PRO A 30 13.459 18.960 3.939 1.00 0.00 C ATOM 511 O PRO A 30 12.662 19.769 4.417 1.00 0.00 O ATOM 512 CB PRO A 30 12.249 17.205 5.263 1.00 0.00 C ATOM 513 CG PRO A 30 12.673 17.428 6.674 1.00 0.00 C ATOM 514 CD PRO A 30 14.124 17.041 6.736 1.00 0.00 C ATOM 0 HA PRO A 30 13.579 16.911 3.526 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.418 17.856 4.992 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.914 16.179 5.108 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.534 18.470 6.963 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.079 16.825 7.360 1.00 0.00 H new ATOM 0 HD2 PRO A 30 14.672 17.649 7.456 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.250 16.001 7.036 1.00 0.00 H new ATOM 522 N ASP A 31 14.326 19.277 2.984 1.00 0.00 N ATOM 523 CA ASP A 31 14.393 20.624 2.429 1.00 0.00 C ATOM 524 C ASP A 31 14.284 20.591 0.908 1.00 0.00 C ATOM 525 O ASP A 31 14.259 19.520 0.300 1.00 0.00 O ATOM 526 CB ASP A 31 15.698 21.305 2.844 1.00 0.00 C ATOM 527 CG ASP A 31 15.553 22.809 2.966 1.00 0.00 C ATOM 528 OD1 ASP A 31 14.449 23.323 2.691 1.00 0.00 O ATOM 529 OD2 ASP A 31 16.544 23.472 3.338 1.00 0.00 O ATOM 0 H ASP A 31 14.992 18.620 2.578 1.00 0.00 H new ATOM 0 HA ASP A 31 13.552 21.195 2.823 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.030 20.896 3.798 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.473 21.076 2.112 1.00 0.00 H new ATOM 534 N VAL A 32 14.218 21.770 0.298 1.00 0.00 N ATOM 535 CA VAL A 32 14.111 21.876 -1.152 1.00 0.00 C ATOM 536 C VAL A 32 15.205 21.071 -1.844 1.00 0.00 C ATOM 537 O VAL A 32 14.947 20.358 -2.814 1.00 0.00 O ATOM 538 CB VAL A 32 14.198 23.343 -1.615 1.00 0.00 C ATOM 539 CG1 VAL A 32 12.930 24.096 -1.243 1.00 0.00 C ATOM 540 CG2 VAL A 32 15.423 24.018 -1.019 1.00 0.00 C ATOM 0 H VAL A 32 14.237 22.666 0.786 1.00 0.00 H new ATOM 0 HA VAL A 32 13.137 21.472 -1.428 1.00 0.00 H new ATOM 0 HB VAL A 32 14.296 23.358 -2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.010 25.130 -1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.073 23.624 -1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.798 24.074 -0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 32 15.468 25.053 -1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.359 23.994 0.069 1.00 0.00 H new ATOM 0 HG23 VAL A 32 16.321 23.492 -1.341 1.00 0.00 H new ATOM 550 N PHE A 33 16.429 21.189 -1.339 1.00 0.00 N ATOM 551 CA PHE A 33 17.563 20.472 -1.909 1.00 0.00 C ATOM 552 C PHE A 33 17.289 18.972 -1.961 1.00 0.00 C ATOM 553 O PHE A 33 17.878 18.250 -2.764 1.00 0.00 O ATOM 554 CB PHE A 33 18.828 20.742 -1.090 1.00 0.00 C ATOM 555 CG PHE A 33 19.771 21.709 -1.746 1.00 0.00 C ATOM 556 CD1 PHE A 33 20.420 21.374 -2.923 1.00 0.00 C ATOM 557 CD2 PHE A 33 20.009 22.954 -1.185 1.00 0.00 C ATOM 558 CE1 PHE A 33 21.289 22.262 -3.530 1.00 0.00 C ATOM 559 CE2 PHE A 33 20.876 23.846 -1.787 1.00 0.00 C ATOM 560 CZ PHE A 33 21.518 23.499 -2.960 1.00 0.00 C ATOM 0 H PHE A 33 16.660 21.774 -0.536 1.00 0.00 H new ATOM 0 HA PHE A 33 17.713 20.831 -2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.542 21.131 -0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 33 19.348 19.800 -0.918 1.00 0.00 H new ATOM 0 HD1 PHE A 33 20.245 20.407 -3.372 1.00 0.00 H new ATOM 0 HD2 PHE A 33 19.511 23.230 -0.267 1.00 0.00 H new ATOM 0 HE1 PHE A 33 21.788 21.989 -4.448 1.00 0.00 H new ATOM 0 HE2 PHE A 33 21.052 24.814 -1.341 1.00 0.00 H new ATOM 0 HZ PHE A 33 22.198 24.194 -3.431 1.00 0.00 H new ATOM 570 N ALA A 34 16.389 18.511 -1.097 1.00 0.00 N ATOM 571 CA ALA A 34 16.035 17.098 -1.045 1.00 0.00 C ATOM 572 C ALA A 34 14.925 16.774 -2.039 1.00 0.00 C ATOM 573 O ALA A 34 15.130 16.014 -2.986 1.00 0.00 O ATOM 574 CB ALA A 34 15.613 16.712 0.365 1.00 0.00 C ATOM 0 H ALA A 34 15.893 19.096 -0.424 1.00 0.00 H new ATOM 0 HA ALA A 34 16.915 16.517 -1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 34 15.351 15.654 0.390 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.436 16.898 1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 34 14.749 17.307 0.662 1.00 0.00 H new ATOM 580 N ARG A 35 13.750 17.353 -1.817 1.00 0.00 N ATOM 581 CA ARG A 35 12.607 17.123 -2.693 1.00 0.00 C ATOM 582 C ARG A 35 12.954 17.461 -4.140 1.00 0.00 C ATOM 583 O ARG A 35 12.646 16.700 -5.056 1.00 0.00 O ATOM 584 CB ARG A 35 11.410 17.960 -2.235 1.00 0.00 C ATOM 585 CG ARG A 35 11.717 19.443 -2.109 1.00 0.00 C ATOM 586 CD ARG A 35 10.564 20.197 -1.466 1.00 0.00 C ATOM 587 NE ARG A 35 10.423 21.547 -2.007 1.00 0.00 N ATOM 588 CZ ARG A 35 9.745 22.515 -1.400 1.00 0.00 C ATOM 589 NH1 ARG A 35 9.151 22.284 -0.238 1.00 0.00 N ATOM 590 NH2 ARG A 35 9.662 23.717 -1.956 1.00 0.00 N ATOM 0 H ARG A 35 13.564 17.985 -1.038 1.00 0.00 H new ATOM 0 HA ARG A 35 12.345 16.066 -2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.592 17.826 -2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.063 17.586 -1.272 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.620 19.580 -1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.920 19.859 -3.096 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.637 19.645 -1.623 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.723 20.253 -0.389 1.00 0.00 H new ATOM 0 HE ARG A 35 10.870 21.758 -2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.214 21.361 0.192 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.631 23.029 0.226 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.119 23.898 -2.850 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.141 24.460 -1.490 1.00 0.00 H new ATOM 604 N GLU A 36 13.597 18.608 -4.336 1.00 0.00 N ATOM 605 CA GLU A 36 13.984 19.047 -5.672 1.00 0.00 C ATOM 606 C GLU A 36 14.942 18.048 -6.316 1.00 0.00 C ATOM 607 O GLU A 36 15.029 17.958 -7.540 1.00 0.00 O ATOM 608 CB GLU A 36 14.638 20.429 -5.609 1.00 0.00 C ATOM 609 CG GLU A 36 14.959 21.013 -6.975 1.00 0.00 C ATOM 610 CD GLU A 36 15.268 22.496 -6.917 1.00 0.00 C ATOM 611 OE1 GLU A 36 15.767 22.957 -5.869 1.00 0.00 O ATOM 612 OE2 GLU A 36 15.011 23.196 -7.919 1.00 0.00 O ATOM 0 H GLU A 36 13.861 19.249 -3.588 1.00 0.00 H new ATOM 0 HA GLU A 36 13.083 19.107 -6.283 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.975 21.112 -5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.557 20.361 -5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.812 20.484 -7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.115 20.847 -7.644 1.00 0.00 H new ATOM 619 N ARG A 37 15.657 17.301 -5.482 1.00 0.00 N ATOM 620 CA ARG A 37 16.610 16.311 -5.969 1.00 0.00 C ATOM 621 C ARG A 37 15.891 15.047 -6.431 1.00 0.00 C ATOM 622 O ARG A 37 15.939 14.688 -7.608 1.00 0.00 O ATOM 623 CB ARG A 37 17.621 15.964 -4.875 1.00 0.00 C ATOM 624 CG ARG A 37 18.679 14.966 -5.318 1.00 0.00 C ATOM 625 CD ARG A 37 19.205 14.154 -4.145 1.00 0.00 C ATOM 626 NE ARG A 37 20.360 14.787 -3.515 1.00 0.00 N ATOM 627 CZ ARG A 37 21.222 14.137 -2.741 1.00 0.00 C ATOM 628 NH1 ARG A 37 21.061 12.843 -2.503 1.00 0.00 N ATOM 629 NH2 ARG A 37 22.249 14.783 -2.203 1.00 0.00 N ATOM 0 H ARG A 37 15.595 17.362 -4.466 1.00 0.00 H new ATOM 0 HA ARG A 37 17.139 16.740 -6.820 1.00 0.00 H new ATOM 0 HB2 ARG A 37 18.113 16.878 -4.543 1.00 0.00 H new ATOM 0 HB3 ARG A 37 17.088 15.558 -4.015 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.257 14.295 -6.066 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.504 15.496 -5.794 1.00 0.00 H new ATOM 0 HD2 ARG A 37 18.413 14.029 -3.407 1.00 0.00 H new ATOM 0 HD3 ARG A 37 19.481 13.157 -4.489 1.00 0.00 H new ATOM 0 HE ARG A 37 20.513 15.782 -3.678 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.273 12.343 -2.915 1.00 0.00 H new ATOM 0 HH12 ARG A 37 21.725 12.347 -1.908 1.00 0.00 H new ATOM 0 HH21 ARG A 37 22.376 15.779 -2.384 1.00 0.00 H new ATOM 0 HH22 ARG A 37 22.911 14.284 -1.609 1.00 0.00 H new ATOM 643 N VAL A 38 15.225 14.376 -5.497 1.00 0.00 N ATOM 644 CA VAL A 38 14.495 13.152 -5.809 1.00 0.00 C ATOM 645 C VAL A 38 13.500 13.379 -6.942 1.00 0.00 C ATOM 646 O VAL A 38 13.112 12.441 -7.637 1.00 0.00 O ATOM 647 CB VAL A 38 13.740 12.620 -4.576 1.00 0.00 C ATOM 648 CG1 VAL A 38 14.700 11.933 -3.617 1.00 0.00 C ATOM 649 CG2 VAL A 38 12.994 13.749 -3.880 1.00 0.00 C ATOM 0 H VAL A 38 15.176 14.659 -4.518 1.00 0.00 H new ATOM 0 HA VAL A 38 15.233 12.413 -6.121 1.00 0.00 H new ATOM 0 HB VAL A 38 13.009 11.884 -4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 38 14.148 11.564 -2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.184 11.097 -4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.457 12.645 -3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.466 13.355 -3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.704 14.511 -3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.276 14.191 -4.571 1.00 0.00 H new ATOM 659 N ALA A 39 13.092 14.631 -7.122 1.00 0.00 N ATOM 660 CA ALA A 39 12.145 14.982 -8.172 1.00 0.00 C ATOM 661 C ALA A 39 12.655 14.543 -9.541 1.00 0.00 C ATOM 662 O ALA A 39 11.869 14.236 -10.437 1.00 0.00 O ATOM 663 CB ALA A 39 11.876 16.479 -8.162 1.00 0.00 C ATOM 0 H ALA A 39 13.403 15.419 -6.554 1.00 0.00 H new ATOM 0 HA ALA A 39 11.211 14.455 -7.975 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.167 16.727 -8.952 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.460 16.767 -7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.809 17.017 -8.330 1.00 0.00 H new ATOM 669 N ASP A 40 13.974 14.516 -9.694 1.00 0.00 N ATOM 670 CA ASP A 40 14.589 14.115 -10.954 1.00 0.00 C ATOM 671 C ASP A 40 14.733 12.598 -11.029 1.00 0.00 C ATOM 672 O ASP A 40 14.953 12.039 -12.104 1.00 0.00 O ATOM 673 CB ASP A 40 15.958 14.778 -11.112 1.00 0.00 C ATOM 674 CG ASP A 40 16.407 14.842 -12.559 1.00 0.00 C ATOM 675 OD1 ASP A 40 15.872 15.686 -13.309 1.00 0.00 O ATOM 676 OD2 ASP A 40 17.293 14.050 -12.941 1.00 0.00 O ATOM 0 H ASP A 40 14.638 14.767 -8.962 1.00 0.00 H new ATOM 0 HA ASP A 40 13.940 14.441 -11.767 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.919 15.787 -10.702 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.695 14.225 -10.530 1.00 0.00 H new ATOM 681 N GLN A 41 14.608 11.939 -9.882 1.00 0.00 N ATOM 682 CA GLN A 41 14.726 10.487 -9.818 1.00 0.00 C ATOM 683 C GLN A 41 13.452 9.815 -10.319 1.00 0.00 C ATOM 684 O GLN A 41 13.499 8.947 -11.191 1.00 0.00 O ATOM 685 CB GLN A 41 15.024 10.041 -8.386 1.00 0.00 C ATOM 686 CG GLN A 41 16.366 10.527 -7.863 1.00 0.00 C ATOM 687 CD GLN A 41 17.506 9.597 -8.229 1.00 0.00 C ATOM 688 OE1 GLN A 41 17.530 8.436 -7.821 1.00 0.00 O ATOM 689 NE2 GLN A 41 18.459 10.105 -9.002 1.00 0.00 N ATOM 0 H GLN A 41 14.425 12.387 -8.984 1.00 0.00 H new ATOM 0 HA GLN A 41 15.551 10.186 -10.463 1.00 0.00 H new ATOM 0 HB2 GLN A 41 14.234 10.406 -7.729 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.999 8.952 -8.341 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.570 11.520 -8.263 1.00 0.00 H new ATOM 0 HG3 GLN A 41 16.315 10.624 -6.779 1.00 0.00 H new ATOM 0 HE21 GLN A 41 18.398 11.073 -9.317 1.00 0.00 H new ATOM 0 HE22 GLN A 41 19.252 9.527 -9.281 1.00 0.00 H new ATOM 698 N ILE A 42 12.317 10.221 -9.762 1.00 0.00 N ATOM 699 CA ILE A 42 11.030 9.658 -10.152 1.00 0.00 C ATOM 700 C ILE A 42 10.400 10.461 -11.285 1.00 0.00 C ATOM 701 O ILE A 42 9.372 10.071 -11.839 1.00 0.00 O ATOM 702 CB ILE A 42 10.052 9.611 -8.964 1.00 0.00 C ATOM 703 CG1 ILE A 42 9.444 10.994 -8.721 1.00 0.00 C ATOM 704 CG2 ILE A 42 10.760 9.110 -7.714 1.00 0.00 C ATOM 705 CD1 ILE A 42 8.341 10.997 -7.686 1.00 0.00 C ATOM 0 H ILE A 42 12.262 10.938 -9.039 1.00 0.00 H new ATOM 0 HA ILE A 42 11.221 8.641 -10.494 1.00 0.00 H new ATOM 0 HB ILE A 42 9.246 8.917 -9.203 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.231 11.677 -8.403 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.049 11.379 -9.661 1.00 0.00 H new ATOM 0 HG21 ILE A 42 10.055 9.083 -6.883 1.00 0.00 H new ATOM 0 HG22 ILE A 42 11.149 8.108 -7.893 1.00 0.00 H new ATOM 0 HG23 ILE A 42 11.584 9.780 -7.469 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.957 12.010 -7.566 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.535 10.340 -8.012 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.735 10.643 -6.733 1.00 0.00 H new ATOM 717 N ARG A 43 11.024 11.584 -11.625 1.00 0.00 N ATOM 718 CA ARG A 43 10.524 12.443 -12.692 1.00 0.00 C ATOM 719 C ARG A 43 9.224 13.126 -12.276 1.00 0.00 C ATOM 720 O ARG A 43 8.191 12.967 -12.928 1.00 0.00 O ATOM 721 CB ARG A 43 10.299 11.629 -13.967 1.00 0.00 C ATOM 722 CG ARG A 43 10.539 12.419 -15.244 1.00 0.00 C ATOM 723 CD ARG A 43 9.689 13.679 -15.287 1.00 0.00 C ATOM 724 NE ARG A 43 9.916 14.451 -16.506 1.00 0.00 N ATOM 725 CZ ARG A 43 9.104 15.414 -16.928 1.00 0.00 C ATOM 726 NH1 ARG A 43 8.018 15.722 -16.233 1.00 0.00 N ATOM 727 NH2 ARG A 43 9.379 16.071 -18.048 1.00 0.00 N ATOM 0 H ARG A 43 11.877 11.920 -11.177 1.00 0.00 H new ATOM 0 HA ARG A 43 11.272 13.211 -12.887 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.960 10.762 -13.956 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.277 11.250 -13.971 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.593 12.687 -15.315 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.310 11.795 -16.108 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.635 13.408 -15.221 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.914 14.298 -14.419 1.00 0.00 H new ATOM 0 HE ARG A 43 10.743 14.239 -17.064 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.804 15.219 -15.372 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.396 16.462 -16.559 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.214 15.837 -18.585 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.755 16.810 -18.372 1.00 0.00 H new ATOM 741 N LEU A 44 9.283 13.886 -11.188 1.00 0.00 N ATOM 742 CA LEU A 44 8.111 14.593 -10.684 1.00 0.00 C ATOM 743 C LEU A 44 8.487 15.985 -10.186 1.00 0.00 C ATOM 744 O LEU A 44 9.662 16.277 -9.963 1.00 0.00 O ATOM 745 CB LEU A 44 7.454 13.795 -9.557 1.00 0.00 C ATOM 746 CG LEU A 44 6.098 14.308 -9.073 1.00 0.00 C ATOM 747 CD1 LEU A 44 5.115 14.391 -10.231 1.00 0.00 C ATOM 748 CD2 LEU A 44 5.551 13.413 -7.970 1.00 0.00 C ATOM 0 H LEU A 44 10.130 14.028 -10.638 1.00 0.00 H new ATOM 0 HA LEU A 44 7.402 14.701 -11.505 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.332 12.765 -9.892 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.137 13.775 -8.707 1.00 0.00 H new ATOM 0 HG LEU A 44 6.234 15.310 -8.666 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.155 14.758 -9.868 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.501 15.073 -10.988 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.983 13.401 -10.668 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.585 13.794 -7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.430 12.399 -8.351 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.246 13.404 -7.130 1.00 0.00 H new ATOM 760 N GLN A 45 7.482 16.837 -10.011 1.00 0.00 N ATOM 761 CA GLN A 45 7.709 18.197 -9.537 1.00 0.00 C ATOM 762 C GLN A 45 8.494 18.195 -8.230 1.00 0.00 C ATOM 763 O GLN A 45 8.429 17.238 -7.458 1.00 0.00 O ATOM 764 CB GLN A 45 6.375 18.921 -9.343 1.00 0.00 C ATOM 765 CG GLN A 45 6.117 20.008 -10.374 1.00 0.00 C ATOM 766 CD GLN A 45 4.645 20.336 -10.521 1.00 0.00 C ATOM 767 OE1 GLN A 45 3.966 20.650 -9.543 1.00 0.00 O ATOM 768 NE2 GLN A 45 4.142 20.265 -11.748 1.00 0.00 N ATOM 0 H GLN A 45 6.504 16.610 -10.190 1.00 0.00 H new ATOM 0 HA GLN A 45 8.295 18.724 -10.290 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.566 18.192 -9.386 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.353 19.364 -8.347 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.659 20.910 -10.089 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.512 19.690 -11.339 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.741 20.001 -12.530 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.157 20.475 -11.908 1.00 0.00 H new ATOM 777 N GLU A 46 9.235 19.271 -7.988 1.00 0.00 N ATOM 778 CA GLU A 46 10.034 19.391 -6.774 1.00 0.00 C ATOM 779 C GLU A 46 9.141 19.600 -5.554 1.00 0.00 C ATOM 780 O GLU A 46 9.370 19.014 -4.496 1.00 0.00 O ATOM 781 CB GLU A 46 11.023 20.551 -6.900 1.00 0.00 C ATOM 782 CG GLU A 46 10.363 21.882 -7.222 1.00 0.00 C ATOM 783 CD GLU A 46 11.176 22.717 -8.192 1.00 0.00 C ATOM 784 OE1 GLU A 46 12.416 22.564 -8.211 1.00 0.00 O ATOM 785 OE2 GLU A 46 10.574 23.523 -8.932 1.00 0.00 O ATOM 0 H GLU A 46 9.299 20.072 -8.616 1.00 0.00 H new ATOM 0 HA GLU A 46 10.589 18.462 -6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.578 20.647 -5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.748 20.316 -7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.375 21.700 -7.645 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.217 22.443 -6.299 1.00 0.00 H new ATOM 792 N SER A 47 8.123 20.440 -5.710 1.00 0.00 N ATOM 793 CA SER A 47 7.198 20.730 -4.621 1.00 0.00 C ATOM 794 C SER A 47 6.111 19.663 -4.532 1.00 0.00 C ATOM 795 O SER A 47 5.477 19.493 -3.491 1.00 0.00 O ATOM 796 CB SER A 47 6.562 22.108 -4.817 1.00 0.00 C ATOM 797 OG SER A 47 7.551 23.105 -5.001 1.00 0.00 O ATOM 0 H SER A 47 7.918 20.932 -6.580 1.00 0.00 H new ATOM 0 HA SER A 47 7.762 20.727 -3.688 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.898 22.086 -5.681 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.949 22.355 -3.951 1.00 0.00 H new ATOM 0 HG SER A 47 7.119 23.976 -5.126 1.00 0.00 H new ATOM 803 N ARG A 48 5.902 18.948 -5.632 1.00 0.00 N ATOM 804 CA ARG A 48 4.892 17.898 -5.681 1.00 0.00 C ATOM 805 C ARG A 48 5.403 16.620 -5.022 1.00 0.00 C ATOM 806 O ARG A 48 4.693 15.987 -4.240 1.00 0.00 O ATOM 807 CB ARG A 48 4.491 17.613 -7.129 1.00 0.00 C ATOM 808 CG ARG A 48 3.328 16.642 -7.260 1.00 0.00 C ATOM 809 CD ARG A 48 2.479 16.952 -8.482 1.00 0.00 C ATOM 810 NE ARG A 48 1.128 16.409 -8.361 1.00 0.00 N ATOM 811 CZ ARG A 48 0.171 16.976 -7.635 1.00 0.00 C ATOM 812 NH1 ARG A 48 0.415 18.096 -6.968 1.00 0.00 N ATOM 813 NH2 ARG A 48 -1.034 16.423 -7.575 1.00 0.00 N ATOM 0 H ARG A 48 6.419 19.077 -6.502 1.00 0.00 H new ATOM 0 HA ARG A 48 4.017 18.245 -5.131 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.226 18.552 -7.615 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.352 17.210 -7.663 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.709 15.623 -7.329 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.709 16.691 -6.364 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.425 18.032 -8.622 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.958 16.539 -9.370 1.00 0.00 H new ATOM 0 HE ARG A 48 0.908 15.548 -8.861 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.340 18.524 -7.012 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.322 18.529 -6.411 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.226 15.562 -8.087 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.768 16.859 -7.017 1.00 0.00 H new ATOM 827 N ILE A 49 6.637 16.248 -5.343 1.00 0.00 N ATOM 828 CA ILE A 49 7.243 15.047 -4.783 1.00 0.00 C ATOM 829 C ILE A 49 7.166 15.052 -3.260 1.00 0.00 C ATOM 830 O ILE A 49 7.210 14.000 -2.623 1.00 0.00 O ATOM 831 CB ILE A 49 8.716 14.907 -5.211 1.00 0.00 C ATOM 832 CG1 ILE A 49 9.085 13.431 -5.372 1.00 0.00 C ATOM 833 CG2 ILE A 49 9.629 15.578 -4.195 1.00 0.00 C ATOM 834 CD1 ILE A 49 10.489 13.212 -5.890 1.00 0.00 C ATOM 0 H ILE A 49 7.237 16.761 -5.988 1.00 0.00 H new ATOM 0 HA ILE A 49 6.679 14.199 -5.171 1.00 0.00 H new ATOM 0 HB ILE A 49 8.848 15.403 -6.173 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.980 12.931 -4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.377 12.960 -6.054 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.667 15.471 -4.511 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.379 16.637 -4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.496 15.108 -3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.681 12.143 -5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 49 10.594 13.682 -6.868 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.205 13.653 -5.197 1.00 0.00 H new ATOM 846 N GLN A 50 7.050 16.244 -2.683 1.00 0.00 N ATOM 847 CA GLN A 50 6.966 16.386 -1.234 1.00 0.00 C ATOM 848 C GLN A 50 5.795 15.584 -0.676 1.00 0.00 C ATOM 849 O GLN A 50 5.914 14.931 0.361 1.00 0.00 O ATOM 850 CB GLN A 50 6.818 17.860 -0.852 1.00 0.00 C ATOM 851 CG GLN A 50 7.847 18.332 0.162 1.00 0.00 C ATOM 852 CD GLN A 50 7.517 19.695 0.737 1.00 0.00 C ATOM 853 OE1 GLN A 50 6.931 20.541 0.062 1.00 0.00 O ATOM 854 NE2 GLN A 50 7.893 19.916 1.991 1.00 0.00 N ATOM 0 H GLN A 50 7.012 17.125 -3.196 1.00 0.00 H new ATOM 0 HA GLN A 50 7.888 15.997 -0.802 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.900 18.470 -1.752 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.819 18.023 -0.447 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.912 17.606 0.973 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.828 18.370 -0.312 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.377 19.186 2.515 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.698 20.815 2.431 1.00 0.00 H new ATOM 863 N VAL A 51 4.662 15.638 -1.370 1.00 0.00 N ATOM 864 CA VAL A 51 3.469 14.916 -0.944 1.00 0.00 C ATOM 865 C VAL A 51 3.702 13.409 -0.965 1.00 0.00 C ATOM 866 O VAL A 51 3.136 12.673 -0.157 1.00 0.00 O ATOM 867 CB VAL A 51 2.262 15.251 -1.839 1.00 0.00 C ATOM 868 CG1 VAL A 51 2.138 16.755 -2.030 1.00 0.00 C ATOM 869 CG2 VAL A 51 2.381 14.543 -3.180 1.00 0.00 C ATOM 0 H VAL A 51 4.546 16.174 -2.230 1.00 0.00 H new ATOM 0 HA VAL A 51 3.254 15.233 0.077 1.00 0.00 H new ATOM 0 HB VAL A 51 1.357 14.897 -1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.279 16.971 -2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.002 17.235 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.043 17.138 -2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.520 14.791 -3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.294 14.865 -3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.415 13.465 -3.021 1.00 0.00 H new ATOM 879 N TRP A 52 4.538 12.959 -1.893 1.00 0.00 N ATOM 880 CA TRP A 52 4.846 11.539 -2.019 1.00 0.00 C ATOM 881 C TRP A 52 5.960 11.136 -1.060 1.00 0.00 C ATOM 882 O TRP A 52 6.135 9.956 -0.756 1.00 0.00 O ATOM 883 CB TRP A 52 5.250 11.209 -3.457 1.00 0.00 C ATOM 884 CG TRP A 52 4.084 11.098 -4.391 1.00 0.00 C ATOM 885 CD1 TRP A 52 2.775 11.360 -4.103 1.00 0.00 C ATOM 886 CD2 TRP A 52 4.121 10.695 -5.765 1.00 0.00 C ATOM 887 NE1 TRP A 52 1.996 11.144 -5.214 1.00 0.00 N ATOM 888 CE2 TRP A 52 2.798 10.736 -6.247 1.00 0.00 C ATOM 889 CE3 TRP A 52 5.143 10.306 -6.634 1.00 0.00 C ATOM 890 CZ2 TRP A 52 2.474 10.401 -7.559 1.00 0.00 C ATOM 891 CZ3 TRP A 52 4.820 9.973 -7.936 1.00 0.00 C ATOM 892 CH2 TRP A 52 3.494 10.023 -8.388 1.00 0.00 C ATOM 0 H TRP A 52 5.015 13.556 -2.569 1.00 0.00 H new ATOM 0 HA TRP A 52 3.950 10.975 -1.762 1.00 0.00 H new ATOM 0 HB2 TRP A 52 5.927 11.981 -3.823 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.803 10.270 -3.465 1.00 0.00 H new ATOM 0 HD1 TRP A 52 2.406 11.689 -3.143 1.00 0.00 H new ATOM 0 HE1 TRP A 52 0.985 11.267 -5.262 1.00 0.00 H new ATOM 0 HE3 TRP A 52 6.167 10.266 -6.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 1.453 10.438 -7.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 5.602 9.669 -8.616 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.273 9.758 -9.411 1.00 0.00 H new ATOM 903 N PHE A 53 6.712 12.124 -0.585 1.00 0.00 N ATOM 904 CA PHE A 53 7.811 11.871 0.340 1.00 0.00 C ATOM 905 C PHE A 53 7.314 11.157 1.593 1.00 0.00 C ATOM 906 O PHE A 53 8.094 10.550 2.327 1.00 0.00 O ATOM 907 CB PHE A 53 8.493 13.186 0.725 1.00 0.00 C ATOM 908 CG PHE A 53 9.614 13.013 1.710 1.00 0.00 C ATOM 909 CD1 PHE A 53 10.660 12.144 1.444 1.00 0.00 C ATOM 910 CD2 PHE A 53 9.622 13.719 2.902 1.00 0.00 C ATOM 911 CE1 PHE A 53 11.692 11.983 2.349 1.00 0.00 C ATOM 912 CE2 PHE A 53 10.651 13.563 3.811 1.00 0.00 C ATOM 913 CZ PHE A 53 11.689 12.694 3.533 1.00 0.00 C ATOM 0 H PHE A 53 6.580 13.107 -0.825 1.00 0.00 H new ATOM 0 HA PHE A 53 8.534 11.227 -0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.881 13.662 -0.175 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.749 13.862 1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.669 11.586 0.519 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.814 14.400 3.124 1.00 0.00 H new ATOM 0 HE1 PHE A 53 12.501 11.301 2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.644 14.119 4.737 1.00 0.00 H new ATOM 0 HZ PHE A 53 12.496 12.571 4.240 1.00 0.00 H new ATOM 923 N LYS A 54 6.009 11.234 1.833 1.00 0.00 N ATOM 924 CA LYS A 54 5.405 10.595 2.996 1.00 0.00 C ATOM 925 C LYS A 54 5.030 9.149 2.689 1.00 0.00 C ATOM 926 O LYS A 54 4.801 8.351 3.597 1.00 0.00 O ATOM 927 CB LYS A 54 4.164 11.371 3.443 1.00 0.00 C ATOM 928 CG LYS A 54 4.031 11.490 4.951 1.00 0.00 C ATOM 929 CD LYS A 54 2.600 11.258 5.405 1.00 0.00 C ATOM 930 CE LYS A 54 2.278 12.052 6.661 1.00 0.00 C ATOM 931 NZ LYS A 54 2.028 13.489 6.361 1.00 0.00 N ATOM 0 H LYS A 54 5.349 11.733 1.237 1.00 0.00 H new ATOM 0 HA LYS A 54 6.138 10.598 3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.195 12.371 3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.276 10.879 3.046 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.688 10.767 5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.359 12.480 5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.914 11.543 4.608 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.445 10.196 5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.400 11.624 7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.105 11.967 7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.115 14.046 7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.725 13.825 5.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.070 13.601 5.973 1.00 0.00 H new ATOM 945 N ASN A 55 4.970 8.818 1.403 1.00 0.00 N ATOM 946 CA ASN A 55 4.624 7.467 0.976 1.00 0.00 C ATOM 947 C ASN A 55 5.277 6.427 1.881 1.00 0.00 C ATOM 948 O ASN A 55 4.602 5.763 2.669 1.00 0.00 O ATOM 949 CB ASN A 55 5.055 7.242 -0.474 1.00 0.00 C ATOM 950 CG ASN A 55 5.056 5.774 -0.855 1.00 0.00 C ATOM 951 OD1 ASN A 55 6.029 5.266 -1.413 1.00 0.00 O ATOM 952 ND2 ASN A 55 3.961 5.085 -0.555 1.00 0.00 N ATOM 0 H ASN A 55 5.157 9.467 0.638 1.00 0.00 H new ATOM 0 HA ASN A 55 3.542 7.356 1.047 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.384 7.787 -1.138 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.053 7.654 -0.622 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.903 4.094 -0.787 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.178 5.547 -0.092 1.00 0.00 H new ATOM 959 N ARG A 56 6.593 6.291 1.763 1.00 0.00 N ATOM 960 CA ARG A 56 7.338 5.331 2.569 1.00 0.00 C ATOM 961 C ARG A 56 7.724 5.937 3.916 1.00 0.00 C ATOM 962 O ARG A 56 7.667 5.267 4.947 1.00 0.00 O ATOM 963 CB ARG A 56 8.594 4.873 1.825 1.00 0.00 C ATOM 964 CG ARG A 56 9.035 3.464 2.185 1.00 0.00 C ATOM 965 CD ARG A 56 10.456 3.447 2.726 1.00 0.00 C ATOM 966 NE ARG A 56 10.552 4.092 4.033 1.00 0.00 N ATOM 967 CZ ARG A 56 10.202 3.504 5.171 1.00 0.00 C ATOM 968 NH1 ARG A 56 9.734 2.263 5.163 1.00 0.00 N ATOM 969 NH2 ARG A 56 10.318 4.156 6.320 1.00 0.00 N ATOM 0 H ARG A 56 7.166 6.834 1.117 1.00 0.00 H new ATOM 0 HA ARG A 56 6.696 4.469 2.748 1.00 0.00 H new ATOM 0 HB2 ARG A 56 8.409 4.924 0.752 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.407 5.566 2.042 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.356 3.048 2.929 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.972 2.825 1.304 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.802 2.416 2.804 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.118 3.953 2.023 1.00 0.00 H new ATOM 0 HE ARG A 56 10.908 5.047 4.074 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.642 1.758 4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.466 1.813 6.038 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.677 5.111 6.331 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.049 3.703 7.193 1.00 0.00 H new ATOM 983 N ARG A 57 8.117 7.206 3.897 1.00 0.00 N ATOM 984 CA ARG A 57 8.515 7.901 5.116 1.00 0.00 C ATOM 985 C ARG A 57 7.478 7.703 6.217 1.00 0.00 C ATOM 986 O ARG A 57 7.811 7.685 7.402 1.00 0.00 O ATOM 987 CB ARG A 57 8.702 9.393 4.839 1.00 0.00 C ATOM 988 CG ARG A 57 9.138 10.189 6.059 1.00 0.00 C ATOM 989 CD ARG A 57 8.480 11.559 6.095 1.00 0.00 C ATOM 990 NE ARG A 57 9.270 12.526 6.853 1.00 0.00 N ATOM 991 CZ ARG A 57 8.782 13.671 7.316 1.00 0.00 C ATOM 992 NH1 ARG A 57 7.513 13.991 7.100 1.00 0.00 N ATOM 993 NH2 ARG A 57 9.563 14.499 7.997 1.00 0.00 N ATOM 0 H ARG A 57 8.169 7.774 3.051 1.00 0.00 H new ATOM 0 HA ARG A 57 9.462 7.480 5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.444 9.517 4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.765 9.804 4.463 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.883 9.638 6.964 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.222 10.305 6.051 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.343 11.922 5.076 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.488 11.473 6.539 1.00 0.00 H new ATOM 0 HE ARG A 57 10.250 12.310 7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.909 13.357 6.577 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.141 14.871 7.457 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.539 14.257 8.165 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.187 15.378 8.352 1.00 0.00 H new ATOM 1007 N ALA A 58 6.219 7.556 5.818 1.00 0.00 N ATOM 1008 CA ALA A 58 5.133 7.358 6.770 1.00 0.00 C ATOM 1009 C ALA A 58 4.942 5.878 7.085 1.00 0.00 C ATOM 1010 O ALA A 58 4.568 5.513 8.200 1.00 0.00 O ATOM 1011 CB ALA A 58 3.842 7.956 6.231 1.00 0.00 C ATOM 0 H ALA A 58 5.926 7.570 4.841 1.00 0.00 H new ATOM 0 HA ALA A 58 5.398 7.869 7.696 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.040 7.801 6.953 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.978 9.025 6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.582 7.472 5.290 1.00 0.00 H new ATOM 1017 N LYS A 59 5.200 5.029 6.096 1.00 0.00 N ATOM 1018 CA LYS A 59 5.058 3.588 6.267 1.00 0.00 C ATOM 1019 C LYS A 59 5.921 3.089 7.421 1.00 0.00 C ATOM 1020 O LYS A 59 5.667 2.023 7.982 1.00 0.00 O ATOM 1021 CB LYS A 59 5.442 2.861 4.976 1.00 0.00 C ATOM 1022 CG LYS A 59 4.253 2.284 4.226 1.00 0.00 C ATOM 1023 CD LYS A 59 3.334 3.379 3.711 1.00 0.00 C ATOM 1024 CE LYS A 59 1.876 2.949 3.755 1.00 0.00 C ATOM 1025 NZ LYS A 59 1.580 1.887 2.754 1.00 0.00 N ATOM 0 H LYS A 59 5.509 5.314 5.167 1.00 0.00 H new ATOM 0 HA LYS A 59 4.015 3.376 6.500 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.972 3.554 4.322 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.136 2.055 5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.607 1.681 3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.694 1.619 4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.467 4.279 4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.608 3.634 2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.635 2.584 4.753 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.237 3.812 3.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.576 1.622 2.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.786 2.243 1.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.171 1.053 2.947 1.00 0.00 H new ATOM 1039 N TYR A 60 6.940 3.866 7.770 1.00 0.00 N ATOM 1040 CA TYR A 60 7.842 3.501 8.857 1.00 0.00 C ATOM 1041 C TYR A 60 7.058 3.114 10.107 1.00 0.00 C ATOM 1042 O TYR A 60 7.512 2.298 10.909 1.00 0.00 O ATOM 1043 CB TYR A 60 8.788 4.661 9.173 1.00 0.00 C ATOM 1044 CG TYR A 60 8.234 5.635 10.187 1.00 0.00 C ATOM 1045 CD1 TYR A 60 7.133 6.428 9.889 1.00 0.00 C ATOM 1046 CD2 TYR A 60 8.812 5.764 11.444 1.00 0.00 C ATOM 1047 CE1 TYR A 60 6.623 7.320 10.812 1.00 0.00 C ATOM 1048 CE2 TYR A 60 8.309 6.652 12.375 1.00 0.00 C ATOM 1049 CZ TYR A 60 7.214 7.428 12.054 1.00 0.00 C ATOM 1050 OH TYR A 60 6.711 8.315 12.978 1.00 0.00 O ATOM 0 H TYR A 60 7.162 4.752 7.317 1.00 0.00 H new ATOM 0 HA TYR A 60 8.428 2.640 8.536 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.730 4.259 9.545 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.012 5.198 8.251 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.667 6.346 8.918 1.00 0.00 H new ATOM 0 HD2 TYR A 60 9.670 5.159 11.698 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.767 7.929 10.563 1.00 0.00 H new ATOM 0 HE2 TYR A 60 8.770 6.738 13.348 1.00 0.00 H new ATOM 0 HH TYR A 60 7.241 8.266 13.801 1.00 0.00 H new ATOM 1060 N ARG A 61 5.879 3.705 10.265 1.00 0.00 N ATOM 1061 CA ARG A 61 5.031 3.424 11.418 1.00 0.00 C ATOM 1062 C ARG A 61 4.303 2.094 11.245 1.00 0.00 C ATOM 1063 O ARG A 61 4.152 1.328 12.198 1.00 0.00 O ATOM 1064 CB ARG A 61 4.017 4.551 11.619 1.00 0.00 C ATOM 1065 CG ARG A 61 3.521 4.675 13.051 1.00 0.00 C ATOM 1066 CD ARG A 61 2.683 5.929 13.243 1.00 0.00 C ATOM 1067 NE ARG A 61 2.021 5.951 14.545 1.00 0.00 N ATOM 1068 CZ ARG A 61 0.995 5.168 14.861 1.00 0.00 C ATOM 1069 NH1 ARG A 61 0.517 4.306 13.975 1.00 0.00 N ATOM 1070 NH2 ARG A 61 0.446 5.247 16.067 1.00 0.00 N ATOM 0 H ARG A 61 5.488 4.382 9.609 1.00 0.00 H new ATOM 0 HA ARG A 61 5.669 3.358 12.300 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.471 5.495 11.318 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.164 4.383 10.961 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.929 3.797 13.309 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.372 4.697 13.732 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.319 6.809 13.145 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.933 5.988 12.454 1.00 0.00 H new ATOM 0 HE ARG A 61 2.365 6.603 15.250 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.937 4.242 13.048 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.271 3.706 14.221 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.812 5.909 16.751 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.342 4.646 16.309 1.00 0.00 H new ATOM 1084 N LEU A 62 3.853 1.826 10.024 1.00 0.00 N ATOM 1085 CA LEU A 62 3.140 0.589 9.726 1.00 0.00 C ATOM 1086 C LEU A 62 4.058 -0.619 9.880 1.00 0.00 C ATOM 1087 O LEU A 62 3.623 -1.690 10.303 1.00 0.00 O ATOM 1088 CB LEU A 62 2.571 0.635 8.307 1.00 0.00 C ATOM 1089 CG LEU A 62 1.278 -0.147 8.076 1.00 0.00 C ATOM 1090 CD1 LEU A 62 1.498 -1.630 8.331 1.00 0.00 C ATOM 1091 CD2 LEU A 62 0.165 0.389 8.965 1.00 0.00 C ATOM 0 H LEU A 62 3.969 2.449 9.225 1.00 0.00 H new ATOM 0 HA LEU A 62 2.319 0.491 10.437 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.394 1.677 8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.329 0.256 7.621 1.00 0.00 H new ATOM 0 HG LEU A 62 0.979 -0.019 7.036 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.567 -2.170 8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.264 -2.006 7.653 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.821 -1.778 9.361 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.748 -0.179 8.787 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.456 0.291 10.011 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.011 1.440 8.734 1.00 0.00 H new ATOM 1103 N GLN A 63 5.328 -0.439 9.534 1.00 0.00 N ATOM 1104 CA GLN A 63 6.307 -1.515 9.636 1.00 0.00 C ATOM 1105 C GLN A 63 6.838 -1.636 11.060 1.00 0.00 C ATOM 1106 O GLN A 63 7.283 -2.704 11.478 1.00 0.00 O ATOM 1107 CB GLN A 63 7.466 -1.272 8.667 1.00 0.00 C ATOM 1108 CG GLN A 63 8.168 0.060 8.880 1.00 0.00 C ATOM 1109 CD GLN A 63 9.568 0.080 8.299 1.00 0.00 C ATOM 1110 OE1 GLN A 63 10.531 0.432 8.981 1.00 0.00 O ATOM 1111 NE2 GLN A 63 9.689 -0.298 7.032 1.00 0.00 N ATOM 0 H GLN A 63 5.703 0.441 9.181 1.00 0.00 H new ATOM 0 HA GLN A 63 5.811 -2.449 9.372 1.00 0.00 H new ATOM 0 HB2 GLN A 63 8.193 -2.077 8.774 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.089 -1.316 7.645 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.578 0.855 8.424 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.219 0.273 9.948 1.00 0.00 H new ATOM 0 HE21 GLN A 63 8.864 -0.582 6.504 1.00 0.00 H new ATOM 0 HE22 GLN A 63 10.607 -0.304 6.587 1.00 0.00 H new ATOM 1120 N GLU A 64 6.788 -0.533 11.801 1.00 0.00 N ATOM 1121 CA GLU A 64 7.265 -0.516 13.179 1.00 0.00 C ATOM 1122 C GLU A 64 6.603 -1.622 13.997 1.00 0.00 C ATOM 1123 O GLU A 64 7.276 -2.508 14.523 1.00 0.00 O ATOM 1124 CB GLU A 64 6.988 0.844 13.822 1.00 0.00 C ATOM 1125 CG GLU A 64 7.958 1.200 14.936 1.00 0.00 C ATOM 1126 CD GLU A 64 7.643 0.482 16.234 1.00 0.00 C ATOM 1127 OE1 GLU A 64 6.707 0.914 16.940 1.00 0.00 O ATOM 1128 OE2 GLU A 64 8.333 -0.511 16.545 1.00 0.00 O ATOM 0 H GLU A 64 6.422 0.360 11.470 1.00 0.00 H new ATOM 0 HA GLU A 64 8.341 -0.691 13.166 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.032 1.615 13.053 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.973 0.848 14.220 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.972 0.950 14.624 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.932 2.277 15.105 1.00 0.00 H new ATOM 1135 N LYS A 65 5.280 -1.562 14.100 1.00 0.00 N ATOM 1136 CA LYS A 65 4.524 -2.557 14.852 1.00 0.00 C ATOM 1137 C LYS A 65 4.618 -3.927 14.189 1.00 0.00 C ATOM 1138 O LYS A 65 4.601 -4.955 14.865 1.00 0.00 O ATOM 1139 CB LYS A 65 3.058 -2.133 14.969 1.00 0.00 C ATOM 1140 CG LYS A 65 2.298 -2.208 13.656 1.00 0.00 C ATOM 1141 CD LYS A 65 1.590 -3.543 13.496 1.00 0.00 C ATOM 1142 CE LYS A 65 0.228 -3.376 12.840 1.00 0.00 C ATOM 1143 NZ LYS A 65 -0.288 -4.664 12.299 1.00 0.00 N ATOM 0 H LYS A 65 4.708 -0.834 13.672 1.00 0.00 H new ATOM 0 HA LYS A 65 4.956 -2.627 15.850 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.562 -2.768 15.703 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.013 -1.112 15.348 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.568 -1.400 13.611 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.989 -2.060 12.826 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.205 -4.213 12.895 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.470 -4.012 14.473 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.479 -2.978 13.568 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.300 -2.646 12.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.218 -4.508 11.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.374 -5.031 11.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.381 -5.353 13.072 1.00 0.00 H new ATOM 1157 N GLN A 66 4.718 -3.932 12.864 1.00 0.00 N ATOM 1158 CA GLN A 66 4.815 -5.177 12.110 1.00 0.00 C ATOM 1159 C GLN A 66 5.949 -6.047 12.641 1.00 0.00 C ATOM 1160 O GLN A 66 5.723 -7.165 13.106 1.00 0.00 O ATOM 1161 CB GLN A 66 5.034 -4.883 10.625 1.00 0.00 C ATOM 1162 CG GLN A 66 4.215 -5.770 9.702 1.00 0.00 C ATOM 1163 CD GLN A 66 4.969 -7.011 9.265 1.00 0.00 C ATOM 1164 OE1 GLN A 66 5.434 -7.794 10.094 1.00 0.00 O ATOM 1165 NE2 GLN A 66 5.094 -7.197 7.956 1.00 0.00 N ATOM 0 H GLN A 66 4.734 -3.089 12.290 1.00 0.00 H new ATOM 0 HA GLN A 66 3.878 -5.720 12.231 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.784 -3.840 10.429 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.091 -5.007 10.391 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.297 -6.067 10.210 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.922 -5.199 8.821 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.693 -6.523 7.304 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.591 -8.014 7.602 1.00 0.00 H new ATOM 1174 N LYS A 67 7.170 -5.529 12.569 1.00 0.00 N ATOM 1175 CA LYS A 67 8.341 -6.258 13.043 1.00 0.00 C ATOM 1176 C LYS A 67 8.251 -6.515 14.543 1.00 0.00 C ATOM 1177 O LYS A 67 7.503 -5.857 15.267 1.00 0.00 O ATOM 1178 CB LYS A 67 9.617 -5.475 12.724 1.00 0.00 C ATOM 1179 CG LYS A 67 10.224 -5.824 11.376 1.00 0.00 C ATOM 1180 CD LYS A 67 11.214 -4.765 10.920 1.00 0.00 C ATOM 1181 CE LYS A 67 12.608 -5.033 11.468 1.00 0.00 C ATOM 1182 NZ LYS A 67 12.816 -4.385 12.793 1.00 0.00 N ATOM 0 H LYS A 67 7.375 -4.606 12.187 1.00 0.00 H new ATOM 0 HA LYS A 67 8.373 -7.219 12.529 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.394 -4.408 12.747 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.354 -5.664 13.505 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.726 -6.789 11.441 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.432 -5.926 10.634 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.248 -4.742 9.831 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.875 -3.783 11.249 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.761 -6.108 11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.353 -4.665 10.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.639 -3.751 12.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.970 -3.836 13.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.984 -5.115 13.514 1.00 0.00 H new ATOM 1196 N PRO A 68 9.032 -7.494 15.025 1.00 0.00 N ATOM 1197 CA PRO A 68 9.059 -7.859 16.444 1.00 0.00 C ATOM 1198 C PRO A 68 9.709 -6.783 17.307 1.00 0.00 C ATOM 1199 O PRO A 68 10.604 -6.069 16.856 1.00 0.00 O ATOM 1200 CB PRO A 68 9.897 -9.140 16.465 1.00 0.00 C ATOM 1201 CG PRO A 68 10.761 -9.046 15.255 1.00 0.00 C ATOM 1202 CD PRO A 68 9.948 -8.319 14.220 1.00 0.00 C ATOM 0 HA PRO A 68 8.056 -7.983 16.852 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.495 -9.208 17.374 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.265 -10.027 16.432 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.683 -8.508 15.475 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.046 -10.037 14.902 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.576 -7.707 13.572 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.405 -9.011 13.576 1.00 0.00 H new TER 1210 PRO A 68