USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.396 X(o=-0.4,f=-0.42) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 152:sc= 0 (180deg=-0.435) USER MOD Single : A -4 LYS NZ :NH3+ -171:sc= -0.0268 (180deg=-0.159) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 164:sc= -0.0321 (180deg=-0.336) USER MOD Single : A -7 MET N :NH3+ 174:sc= 0 (180deg=-0.0619) USER MOD Single : A 10 SER OG : rot 44:sc= 0.0145 USER MOD Single : A 14 THR OG1 : rot 98:sc= 1.29 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 19 ASN : amide:sc= -0.0415 K(o=-0.041,f=-1.2!) USER MOD Single : A 20 SER OG : rot 61:sc= 1.27 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 1.11 K(o=1.1,f=-0.69) USER MOD Single : A 28 LYS NZ :NH3+ -161:sc= 0.82 (180deg=0.405) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -160:sc= -0.0881 USER MOD Single : A 42 HIS : no HD1:sc= -0.0156 X(o=-0.016,f=0) USER MOD Single : A 49 MET CE :methyl 161:sc= -0.162 (180deg=-0.719) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0906) USER MOD Single : A 56 MET CE :methyl 166:sc= -0.0527 (180deg=-0.328) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.233 K(o=-0.23,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -50.015 -1.730 -23.304 1.00 20.00 N ATOM 2 CA MET A -7 -49.879 -1.204 -21.925 1.00 20.00 C ATOM 3 C MET A -7 -51.214 -1.271 -21.182 1.00 20.00 C ATOM 4 O MET A -7 -51.691 -0.271 -20.634 1.00 20.00 O ATOM 5 CB MET A -7 -49.362 0.243 -21.959 1.00 20.00 C ATOM 6 CG MET A -7 -50.254 1.204 -22.734 1.00 20.00 C ATOM 7 SD MET A -7 -49.674 2.911 -22.661 1.00 20.00 S ATOM 8 CE MET A -7 -48.123 2.787 -23.551 1.00 20.00 C ATOM 0 H1 MET A -7 -49.125 -1.582 -23.822 1.00 20.00 H new ATOM 0 H2 MET A -7 -50.229 -2.747 -23.268 1.00 20.00 H new ATOM 0 H3 MET A -7 -50.786 -1.231 -23.791 1.00 20.00 H new ATOM 0 HA MET A -7 -49.160 -1.825 -21.391 1.00 20.00 H new ATOM 0 HB2 MET A -7 -49.259 0.605 -20.936 1.00 20.00 H new ATOM 0 HB3 MET A -7 -48.366 0.251 -22.402 1.00 20.00 H new ATOM 0 HG2 MET A -7 -50.304 0.886 -23.776 1.00 20.00 H new ATOM 0 HG3 MET A -7 -51.268 1.152 -22.336 1.00 20.00 H new ATOM 0 HE1 MET A -7 -47.787 3.784 -23.837 1.00 20.00 H new ATOM 0 HE2 MET A -7 -47.373 2.321 -22.912 1.00 20.00 H new ATOM 0 HE3 MET A -7 -48.264 2.181 -24.446 1.00 20.00 H new ATOM 20 N ASP A -6 -51.815 -2.452 -21.154 1.00 20.00 N ATOM 21 CA ASP A -6 -53.085 -2.645 -20.466 1.00 20.00 C ATOM 22 C ASP A -6 -53.233 -4.086 -20.017 1.00 20.00 C ATOM 23 O ASP A -6 -52.454 -4.953 -20.419 1.00 20.00 O ATOM 24 CB ASP A -6 -54.272 -2.260 -21.361 1.00 20.00 C ATOM 25 CG ASP A -6 -54.409 -3.147 -22.584 1.00 20.00 C ATOM 26 OD1 ASP A -6 -55.056 -4.212 -22.495 1.00 20.00 O ATOM 27 OD2 ASP A -6 -53.883 -2.773 -23.652 1.00 20.00 O ATOM 0 H ASP A -6 -51.444 -3.291 -21.599 1.00 20.00 H new ATOM 0 HA ASP A -6 -53.086 -1.993 -19.593 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -55.191 -2.312 -20.777 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -54.156 -1.225 -21.682 1.00 20.00 H new ATOM 32 N TYR A -5 -54.229 -4.333 -19.183 1.00 20.00 N ATOM 33 CA TYR A -5 -54.526 -5.676 -18.713 1.00 20.00 C ATOM 34 C TYR A -5 -56.018 -5.799 -18.430 1.00 20.00 C ATOM 35 O TYR A -5 -56.472 -5.495 -17.325 1.00 20.00 O ATOM 36 CB TYR A -5 -53.714 -6.004 -17.455 1.00 20.00 C ATOM 37 CG TYR A -5 -53.914 -7.420 -16.962 1.00 20.00 C ATOM 38 CD1 TYR A -5 -53.472 -8.506 -17.710 1.00 20.00 C ATOM 39 CD2 TYR A -5 -54.552 -7.673 -15.754 1.00 20.00 C ATOM 40 CE1 TYR A -5 -53.660 -9.799 -17.267 1.00 20.00 C ATOM 41 CE2 TYR A -5 -54.742 -8.964 -15.305 1.00 20.00 C ATOM 42 CZ TYR A -5 -54.294 -10.024 -16.064 1.00 20.00 C ATOM 43 OH TYR A -5 -54.481 -11.313 -15.618 1.00 20.00 O ATOM 0 H TYR A -5 -54.851 -3.614 -18.814 1.00 20.00 H new ATOM 0 HA TYR A -5 -54.248 -6.390 -19.488 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -52.656 -5.846 -17.663 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -53.990 -5.309 -16.662 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -52.974 -8.334 -18.653 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -54.905 -6.846 -15.156 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -53.312 -10.631 -17.860 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -55.239 -9.143 -14.363 1.00 20.00 H new ATOM 0 HH TYR A -5 -54.942 -11.296 -14.754 1.00 20.00 H new ATOM 53 N LYS A -4 -56.770 -6.213 -19.455 1.00 20.00 N ATOM 54 CA LYS A -4 -58.230 -6.368 -19.384 1.00 20.00 C ATOM 55 C LYS A -4 -58.932 -5.011 -19.308 1.00 20.00 C ATOM 56 O LYS A -4 -59.805 -4.705 -20.117 1.00 20.00 O ATOM 57 CB LYS A -4 -58.642 -7.238 -18.191 1.00 20.00 C ATOM 58 CG LYS A -4 -60.137 -7.520 -18.132 1.00 20.00 C ATOM 59 CD LYS A -4 -60.529 -8.257 -16.861 1.00 20.00 C ATOM 60 CE LYS A -4 -59.816 -9.596 -16.735 1.00 20.00 C ATOM 61 NZ LYS A -4 -60.088 -10.489 -17.893 1.00 20.00 N ATOM 0 H LYS A -4 -56.380 -6.453 -20.367 1.00 20.00 H new ATOM 0 HA LYS A -4 -58.542 -6.868 -20.301 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -58.103 -8.184 -18.239 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -58.337 -6.744 -17.269 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -60.686 -6.580 -18.190 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -60.428 -8.113 -18.999 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -60.293 -7.638 -15.996 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -61.607 -8.418 -16.853 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -58.742 -9.428 -16.653 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -60.133 -10.089 -15.816 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -59.711 -11.438 -17.696 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -61.114 -10.550 -18.051 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -59.629 -10.104 -18.743 1.00 20.00 H new ATOM 75 N ASP A -3 -58.549 -4.212 -18.327 1.00 20.00 N ATOM 76 CA ASP A -3 -59.147 -2.906 -18.116 1.00 20.00 C ATOM 77 C ASP A -3 -58.254 -1.824 -18.705 1.00 20.00 C ATOM 78 O ASP A -3 -57.124 -1.632 -18.251 1.00 20.00 O ATOM 79 CB ASP A -3 -59.331 -2.649 -16.615 1.00 20.00 C ATOM 80 CG ASP A -3 -60.101 -3.749 -15.909 1.00 20.00 C ATOM 81 OD1 ASP A -3 -61.349 -3.685 -15.883 1.00 20.00 O ATOM 82 OD2 ASP A -3 -59.460 -4.675 -15.361 1.00 20.00 O ATOM 0 H ASP A -3 -57.818 -4.449 -17.657 1.00 20.00 H new ATOM 0 HA ASP A -3 -60.119 -2.883 -18.609 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -58.352 -2.543 -16.149 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -59.854 -1.703 -16.477 1.00 20.00 H new ATOM 87 N ASP A -2 -58.747 -1.134 -19.727 1.00 20.00 N ATOM 88 CA ASP A -2 -58.023 -0.001 -20.302 1.00 20.00 C ATOM 89 C ASP A -2 -58.038 1.155 -19.321 1.00 20.00 C ATOM 90 O ASP A -2 -57.008 1.776 -19.062 1.00 20.00 O ATOM 91 CB ASP A -2 -58.647 0.448 -21.627 1.00 20.00 C ATOM 92 CG ASP A -2 -58.554 -0.601 -22.713 1.00 20.00 C ATOM 93 OD1 ASP A -2 -57.505 -0.679 -23.389 1.00 20.00 O ATOM 94 OD2 ASP A -2 -59.539 -1.347 -22.905 1.00 20.00 O ATOM 0 H ASP A -2 -59.641 -1.336 -20.175 1.00 20.00 H new ATOM 0 HA ASP A -2 -56.998 -0.316 -20.499 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -59.695 0.699 -21.462 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -58.151 1.358 -21.965 1.00 20.00 H new ATOM 99 N ASP A -1 -59.230 1.428 -18.800 1.00 20.00 N ATOM 100 CA ASP A -1 -59.444 2.413 -17.739 1.00 20.00 C ATOM 101 C ASP A -1 -58.866 3.781 -18.083 1.00 20.00 C ATOM 102 O ASP A -1 -57.703 4.085 -17.797 1.00 20.00 O ATOM 103 CB ASP A -1 -58.868 1.912 -16.413 1.00 20.00 C ATOM 104 CG ASP A -1 -59.088 2.898 -15.284 1.00 20.00 C ATOM 105 OD1 ASP A -1 -60.240 3.341 -15.089 1.00 20.00 O ATOM 106 OD2 ASP A -1 -58.110 3.240 -14.595 1.00 20.00 O ATOM 0 H ASP A -1 -60.087 0.967 -19.105 1.00 20.00 H new ATOM 0 HA ASP A -1 -60.522 2.536 -17.639 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -59.330 0.959 -16.156 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -57.800 1.728 -16.529 1.00 20.00 H new ATOM 111 N ASP A 0 -59.693 4.619 -18.689 1.00 20.00 N ATOM 112 CA ASP A 0 -59.294 5.984 -19.007 1.00 20.00 C ATOM 113 C ASP A 0 -59.408 6.859 -17.766 1.00 20.00 C ATOM 114 O ASP A 0 -58.922 7.989 -17.731 1.00 20.00 O ATOM 115 CB ASP A 0 -60.156 6.553 -20.134 1.00 20.00 C ATOM 116 CG ASP A 0 -59.631 7.879 -20.648 1.00 20.00 C ATOM 117 OD1 ASP A 0 -58.568 7.883 -21.303 1.00 20.00 O ATOM 118 OD2 ASP A 0 -60.271 8.924 -20.398 1.00 20.00 O ATOM 0 H ASP A 0 -60.644 4.380 -18.971 1.00 20.00 H new ATOM 0 HA ASP A 0 -58.257 5.972 -19.343 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -60.195 5.837 -20.955 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -61.177 6.683 -19.776 1.00 20.00 H new ATOM 123 N LYS A 1 -60.030 6.307 -16.736 1.00 20.00 N ATOM 124 CA LYS A 1 -60.222 7.016 -15.481 1.00 20.00 C ATOM 125 C LYS A 1 -58.988 6.878 -14.600 1.00 20.00 C ATOM 126 O LYS A 1 -58.951 7.421 -13.497 1.00 20.00 O ATOM 127 CB LYS A 1 -61.456 6.479 -14.752 1.00 20.00 C ATOM 128 CG LYS A 1 -62.752 6.679 -15.523 1.00 20.00 C ATOM 129 CD LYS A 1 -63.940 6.093 -14.779 1.00 20.00 C ATOM 130 CE LYS A 1 -65.222 6.233 -15.580 1.00 20.00 C ATOM 131 NZ LYS A 1 -66.385 5.637 -14.873 1.00 20.00 N ATOM 0 H LYS A 1 -60.413 5.362 -16.746 1.00 20.00 H new ATOM 0 HA LYS A 1 -60.377 8.073 -15.699 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -61.319 5.415 -14.557 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -61.539 6.972 -13.783 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -62.916 7.743 -15.691 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -62.669 6.211 -16.504 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -63.755 5.040 -14.568 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -64.053 6.596 -13.818 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -65.416 7.288 -15.773 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -65.099 5.749 -16.549 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -67.241 5.753 -15.453 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -66.211 4.624 -14.711 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -66.518 6.116 -13.959 1.00 20.00 H new ATOM 145 N ASN A 2 -57.983 6.158 -15.118 1.00 20.00 N ATOM 146 CA ASN A 2 -56.665 6.018 -14.482 1.00 20.00 C ATOM 147 C ASN A 2 -56.767 5.869 -12.966 1.00 20.00 C ATOM 148 O ASN A 2 -56.248 6.686 -12.202 1.00 20.00 O ATOM 149 CB ASN A 2 -55.723 7.181 -14.869 1.00 20.00 C ATOM 150 CG ASN A 2 -56.293 8.568 -14.615 1.00 20.00 C ATOM 151 OD1 ASN A 2 -56.130 9.136 -13.535 1.00 20.00 O ATOM 152 ND2 ASN A 2 -56.948 9.132 -15.618 1.00 20.00 N ATOM 0 H ASN A 2 -58.063 5.651 -16.000 1.00 20.00 H new ATOM 0 HA ASN A 2 -56.229 5.095 -14.864 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -54.792 7.078 -14.312 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -55.474 7.093 -15.926 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -57.338 10.068 -15.510 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -57.063 8.630 -16.498 1.00 20.00 H new ATOM 159 N ARG A 3 -57.422 4.801 -12.538 1.00 20.00 N ATOM 160 CA ARG A 3 -57.653 4.554 -11.122 1.00 20.00 C ATOM 161 C ARG A 3 -56.618 3.582 -10.569 1.00 20.00 C ATOM 162 O ARG A 3 -56.954 2.616 -9.880 1.00 20.00 O ATOM 163 CB ARG A 3 -59.068 4.011 -10.897 1.00 20.00 C ATOM 164 CG ARG A 3 -60.166 4.945 -11.388 1.00 20.00 C ATOM 165 CD ARG A 3 -60.100 6.301 -10.699 1.00 20.00 C ATOM 166 NE ARG A 3 -60.354 6.203 -9.263 1.00 20.00 N ATOM 167 CZ ARG A 3 -59.982 7.123 -8.374 1.00 20.00 C ATOM 168 NH1 ARG A 3 -59.295 8.191 -8.760 1.00 20.00 N ATOM 169 NH2 ARG A 3 -60.289 6.967 -7.095 1.00 20.00 N ATOM 0 H ARG A 3 -57.806 4.086 -13.156 1.00 20.00 H new ATOM 0 HA ARG A 3 -57.555 5.500 -10.590 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -59.165 3.052 -11.405 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -59.211 3.824 -9.833 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -60.075 5.079 -12.466 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -61.140 4.490 -11.205 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -59.117 6.743 -10.863 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -60.831 6.972 -11.151 1.00 20.00 H new ATOM 0 HE ARG A 3 -60.847 5.379 -8.920 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -59.049 8.311 -9.742 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -59.013 8.892 -8.074 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -60.809 6.144 -6.792 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -60.005 7.670 -6.413 1.00 20.00 H new ATOM 183 N ALA A 4 -55.360 3.845 -10.886 1.00 20.00 N ATOM 184 CA ALA A 4 -54.255 3.045 -10.385 1.00 20.00 C ATOM 185 C ALA A 4 -53.270 3.933 -9.633 1.00 20.00 C ATOM 186 O ALA A 4 -52.154 4.182 -10.099 1.00 20.00 O ATOM 187 CB ALA A 4 -53.561 2.315 -11.527 1.00 20.00 C ATOM 0 H ALA A 4 -55.078 4.614 -11.494 1.00 20.00 H new ATOM 0 HA ALA A 4 -54.646 2.296 -9.696 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -52.737 1.722 -11.132 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -54.274 1.659 -12.026 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -53.175 3.042 -12.242 1.00 20.00 H new ATOM 193 N LEU A 5 -53.698 4.422 -8.476 1.00 20.00 N ATOM 194 CA LEU A 5 -52.880 5.322 -7.674 1.00 20.00 C ATOM 195 C LEU A 5 -51.792 4.551 -6.936 1.00 20.00 C ATOM 196 O LEU A 5 -52.009 4.055 -5.829 1.00 20.00 O ATOM 197 CB LEU A 5 -53.741 6.108 -6.673 1.00 20.00 C ATOM 198 CG LEU A 5 -54.577 7.256 -7.263 1.00 20.00 C ATOM 199 CD1 LEU A 5 -55.675 6.734 -8.180 1.00 20.00 C ATOM 200 CD2 LEU A 5 -55.177 8.100 -6.148 1.00 20.00 C ATOM 0 H LEU A 5 -54.610 4.209 -8.071 1.00 20.00 H new ATOM 0 HA LEU A 5 -52.407 6.032 -8.353 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -54.416 5.410 -6.177 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -53.086 6.519 -5.904 1.00 20.00 H new ATOM 0 HG LEU A 5 -53.912 7.878 -7.861 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -56.245 7.573 -8.579 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -55.227 6.176 -9.002 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -56.339 6.079 -7.616 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -55.766 8.909 -6.581 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -55.819 7.477 -5.525 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -54.377 8.520 -5.539 1.00 20.00 H new ATOM 212 N SER A 6 -50.629 4.454 -7.575 1.00 20.00 N ATOM 213 CA SER A 6 -49.469 3.764 -7.017 1.00 20.00 C ATOM 214 C SER A 6 -49.765 2.288 -6.741 1.00 20.00 C ATOM 215 O SER A 6 -49.997 1.894 -5.597 1.00 20.00 O ATOM 216 CB SER A 6 -49.000 4.459 -5.740 1.00 20.00 C ATOM 217 OG SER A 6 -48.736 5.832 -5.981 1.00 20.00 O ATOM 0 H SER A 6 -50.464 4.854 -8.499 1.00 20.00 H new ATOM 0 HA SER A 6 -48.672 3.807 -7.759 1.00 20.00 H new ATOM 0 HB2 SER A 6 -49.762 4.361 -4.967 1.00 20.00 H new ATOM 0 HB3 SER A 6 -48.100 3.971 -5.365 1.00 20.00 H new ATOM 0 HG SER A 6 -48.439 6.259 -5.150 1.00 20.00 H new ATOM 223 N PRO A 7 -49.764 1.455 -7.795 1.00 20.00 N ATOM 224 CA PRO A 7 -49.975 0.009 -7.660 1.00 20.00 C ATOM 225 C PRO A 7 -48.960 -0.627 -6.712 1.00 20.00 C ATOM 226 O PRO A 7 -49.320 -1.399 -5.823 1.00 20.00 O ATOM 227 CB PRO A 7 -49.783 -0.523 -9.087 1.00 20.00 C ATOM 228 CG PRO A 7 -50.031 0.651 -9.971 1.00 20.00 C ATOM 229 CD PRO A 7 -49.571 1.857 -9.199 1.00 20.00 C ATOM 0 HA PRO A 7 -50.953 -0.224 -7.240 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -48.777 -0.919 -9.229 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -50.478 -1.334 -9.303 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -49.483 0.556 -10.909 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -51.088 0.731 -10.226 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -48.528 2.096 -9.409 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -50.157 2.742 -9.448 1.00 20.00 H new ATOM 237 N MET A 8 -47.694 -0.281 -6.897 1.00 20.00 N ATOM 238 CA MET A 8 -46.627 -0.798 -6.053 1.00 20.00 C ATOM 239 C MET A 8 -45.594 0.290 -5.778 1.00 20.00 C ATOM 240 O MET A 8 -44.909 0.752 -6.690 1.00 20.00 O ATOM 241 CB MET A 8 -45.956 -2.001 -6.720 1.00 20.00 C ATOM 242 CG MET A 8 -44.828 -2.600 -5.895 1.00 20.00 C ATOM 243 SD MET A 8 -44.053 -4.013 -6.702 1.00 20.00 S ATOM 244 CE MET A 8 -42.807 -4.441 -5.488 1.00 20.00 C ATOM 0 H MET A 8 -47.380 0.358 -7.627 1.00 20.00 H new ATOM 0 HA MET A 8 -47.061 -1.118 -5.106 1.00 20.00 H new ATOM 0 HB2 MET A 8 -46.707 -2.769 -6.906 1.00 20.00 H new ATOM 0 HB3 MET A 8 -45.564 -1.697 -7.690 1.00 20.00 H new ATOM 0 HG2 MET A 8 -44.074 -1.835 -5.707 1.00 20.00 H new ATOM 0 HG3 MET A 8 -45.217 -2.909 -4.925 1.00 20.00 H new ATOM 0 HE1 MET A 8 -42.588 -5.507 -5.552 1.00 20.00 H new ATOM 0 HE2 MET A 8 -41.898 -3.871 -5.683 1.00 20.00 H new ATOM 0 HE3 MET A 8 -43.176 -4.206 -4.490 1.00 20.00 H new ATOM 254 N VAL A 9 -45.489 0.707 -4.526 1.00 20.00 N ATOM 255 CA VAL A 9 -44.526 1.733 -4.149 1.00 20.00 C ATOM 256 C VAL A 9 -43.201 1.094 -3.743 1.00 20.00 C ATOM 257 O VAL A 9 -42.987 0.745 -2.578 1.00 20.00 O ATOM 258 CB VAL A 9 -45.049 2.624 -3.000 1.00 20.00 C ATOM 259 CG1 VAL A 9 -44.047 3.723 -2.665 1.00 20.00 C ATOM 260 CG2 VAL A 9 -46.397 3.228 -3.360 1.00 20.00 C ATOM 0 H VAL A 9 -46.056 0.353 -3.755 1.00 20.00 H new ATOM 0 HA VAL A 9 -44.373 2.368 -5.022 1.00 20.00 H new ATOM 0 HB VAL A 9 -45.176 1.996 -2.118 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -44.438 4.337 -1.853 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -43.103 3.273 -2.358 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -43.883 4.346 -3.544 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -46.748 3.852 -2.538 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -46.295 3.836 -4.259 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -47.116 2.430 -3.542 1.00 20.00 H new ATOM 270 N SER A 10 -42.329 0.921 -4.720 1.00 20.00 N ATOM 271 CA SER A 10 -41.013 0.355 -4.485 1.00 20.00 C ATOM 272 C SER A 10 -39.943 1.441 -4.588 1.00 20.00 C ATOM 273 O SER A 10 -39.793 2.087 -5.629 1.00 20.00 O ATOM 274 CB SER A 10 -40.748 -0.773 -5.488 1.00 20.00 C ATOM 275 OG SER A 10 -41.156 -0.401 -6.797 1.00 20.00 O ATOM 0 H SER A 10 -42.511 1.167 -5.693 1.00 20.00 H new ATOM 0 HA SER A 10 -40.975 -0.060 -3.478 1.00 20.00 H new ATOM 0 HB2 SER A 10 -39.686 -1.019 -5.491 1.00 20.00 H new ATOM 0 HB3 SER A 10 -41.282 -1.671 -5.179 1.00 20.00 H new ATOM 0 HG SER A 10 -40.871 0.519 -6.980 1.00 20.00 H new ATOM 281 N GLU A 11 -39.219 1.663 -3.502 1.00 20.00 N ATOM 282 CA GLU A 11 -38.206 2.707 -3.465 1.00 20.00 C ATOM 283 C GLU A 11 -36.812 2.096 -3.471 1.00 20.00 C ATOM 284 O GLU A 11 -36.539 1.154 -2.728 1.00 20.00 O ATOM 285 CB GLU A 11 -38.396 3.577 -2.222 1.00 20.00 C ATOM 286 CG GLU A 11 -39.817 4.091 -2.054 1.00 20.00 C ATOM 287 CD GLU A 11 -40.028 4.797 -0.735 1.00 20.00 C ATOM 288 OE1 GLU A 11 -40.228 4.110 0.287 1.00 20.00 O ATOM 289 OE2 GLU A 11 -39.995 6.043 -0.714 1.00 20.00 O ATOM 0 H GLU A 11 -39.314 1.135 -2.635 1.00 20.00 H new ATOM 0 HA GLU A 11 -38.314 3.330 -4.353 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -38.120 3.001 -1.339 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -37.715 4.426 -2.275 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -40.050 4.775 -2.870 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -40.513 3.255 -2.130 1.00 20.00 H new ATOM 296 N PHE A 12 -35.935 2.631 -4.305 1.00 20.00 N ATOM 297 CA PHE A 12 -34.583 2.114 -4.422 1.00 20.00 C ATOM 298 C PHE A 12 -33.580 3.116 -3.863 1.00 20.00 C ATOM 299 O PHE A 12 -32.887 3.814 -4.606 1.00 20.00 O ATOM 300 CB PHE A 12 -34.263 1.780 -5.884 1.00 20.00 C ATOM 301 CG PHE A 12 -32.909 1.148 -6.094 1.00 20.00 C ATOM 302 CD1 PHE A 12 -32.499 0.072 -5.320 1.00 20.00 C ATOM 303 CD2 PHE A 12 -32.046 1.634 -7.064 1.00 20.00 C ATOM 304 CE1 PHE A 12 -31.259 -0.505 -5.511 1.00 20.00 C ATOM 305 CE2 PHE A 12 -30.805 1.060 -7.257 1.00 20.00 C ATOM 306 CZ PHE A 12 -30.412 -0.010 -6.480 1.00 20.00 C ATOM 0 H PHE A 12 -36.137 3.425 -4.912 1.00 20.00 H new ATOM 0 HA PHE A 12 -34.509 1.196 -3.838 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -35.029 1.106 -6.267 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -34.320 2.695 -6.474 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -33.158 -0.319 -4.559 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -32.348 2.471 -7.676 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -30.953 -1.343 -4.902 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -30.142 1.449 -8.016 1.00 20.00 H new ATOM 0 HZ PHE A 12 -29.442 -0.460 -6.631 1.00 20.00 H new ATOM 316 N GLU A 13 -33.521 3.193 -2.544 1.00 20.00 N ATOM 317 CA GLU A 13 -32.568 4.064 -1.881 1.00 20.00 C ATOM 318 C GLU A 13 -31.526 3.243 -1.132 1.00 20.00 C ATOM 319 O GLU A 13 -30.634 2.657 -1.745 1.00 20.00 O ATOM 320 CB GLU A 13 -33.274 5.033 -0.931 1.00 20.00 C ATOM 321 CG GLU A 13 -34.210 6.001 -1.631 1.00 20.00 C ATOM 322 CD GLU A 13 -34.749 7.056 -0.694 1.00 20.00 C ATOM 323 OE1 GLU A 13 -34.101 8.112 -0.544 1.00 20.00 O ATOM 324 OE2 GLU A 13 -35.819 6.837 -0.093 1.00 20.00 O ATOM 0 H GLU A 13 -34.122 2.663 -1.913 1.00 20.00 H new ATOM 0 HA GLU A 13 -32.062 4.653 -2.646 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -33.841 4.460 -0.197 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -32.523 5.601 -0.381 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -33.681 6.484 -2.453 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -35.041 5.448 -2.068 1.00 20.00 H new ATOM 331 N THR A 14 -31.654 3.163 0.183 1.00 20.00 N ATOM 332 CA THR A 14 -30.679 2.446 0.987 1.00 20.00 C ATOM 333 C THR A 14 -31.199 1.078 1.405 1.00 20.00 C ATOM 334 O THR A 14 -30.486 0.317 2.045 1.00 20.00 O ATOM 335 CB THR A 14 -30.274 3.245 2.244 1.00 20.00 C ATOM 336 OG1 THR A 14 -31.432 3.559 3.031 1.00 20.00 O ATOM 337 CG2 THR A 14 -29.549 4.527 1.866 1.00 20.00 C ATOM 0 H THR A 14 -32.418 3.583 0.713 1.00 20.00 H new ATOM 0 HA THR A 14 -29.798 2.314 0.358 1.00 20.00 H new ATOM 0 HB THR A 14 -29.598 2.624 2.831 1.00 20.00 H new ATOM 0 HG1 THR A 14 -31.517 2.910 3.761 1.00 20.00 H new ATOM 0 HG21 THR A 14 -29.275 5.070 2.770 1.00 20.00 H new ATOM 0 HG22 THR A 14 -28.648 4.283 1.302 1.00 20.00 H new ATOM 0 HG23 THR A 14 -30.203 5.148 1.254 1.00 20.00 H new ATOM 345 N ILE A 15 -32.437 0.769 1.027 1.00 20.00 N ATOM 346 CA ILE A 15 -33.058 -0.509 1.370 1.00 20.00 C ATOM 347 C ILE A 15 -32.159 -1.684 0.982 1.00 20.00 C ATOM 348 O ILE A 15 -31.804 -2.511 1.824 1.00 20.00 O ATOM 349 CB ILE A 15 -34.433 -0.664 0.683 1.00 20.00 C ATOM 350 CG1 ILE A 15 -35.373 0.470 1.107 1.00 20.00 C ATOM 351 CG2 ILE A 15 -35.046 -2.016 1.018 1.00 20.00 C ATOM 352 CD1 ILE A 15 -36.739 0.408 0.458 1.00 20.00 C ATOM 0 H ILE A 15 -33.033 1.390 0.480 1.00 20.00 H new ATOM 0 HA ILE A 15 -33.200 -0.516 2.451 1.00 20.00 H new ATOM 0 HB ILE A 15 -34.289 -0.609 -0.396 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -35.494 0.443 2.190 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -34.908 1.425 0.862 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -36.014 -2.108 0.526 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -34.385 -2.811 0.672 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -35.178 -2.098 2.097 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -37.346 1.243 0.808 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -36.630 0.467 -0.625 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -37.226 -0.531 0.723 1.00 20.00 H new ATOM 364 N GLU A 16 -31.774 -1.733 -0.287 1.00 20.00 N ATOM 365 CA GLU A 16 -30.887 -2.779 -0.777 1.00 20.00 C ATOM 366 C GLU A 16 -29.512 -2.667 -0.124 1.00 20.00 C ATOM 367 O GLU A 16 -28.923 -3.671 0.272 1.00 20.00 O ATOM 368 CB GLU A 16 -30.752 -2.692 -2.299 1.00 20.00 C ATOM 369 CG GLU A 16 -32.032 -3.023 -3.051 1.00 20.00 C ATOM 370 CD GLU A 16 -32.460 -4.463 -2.873 1.00 20.00 C ATOM 371 OE1 GLU A 16 -31.939 -5.337 -3.600 1.00 20.00 O ATOM 372 OE2 GLU A 16 -33.325 -4.728 -2.015 1.00 20.00 O ATOM 0 H GLU A 16 -32.063 -1.059 -0.996 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.320 -3.745 -0.515 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -30.434 -1.685 -2.569 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -29.965 -3.373 -2.624 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.831 -2.366 -2.707 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -31.888 -2.820 -4.112 1.00 20.00 H new ATOM 379 N GLN A 17 -29.025 -1.435 0.008 1.00 20.00 N ATOM 380 CA GLN A 17 -27.706 -1.173 0.585 1.00 20.00 C ATOM 381 C GLN A 17 -27.604 -1.715 2.009 1.00 20.00 C ATOM 382 O GLN A 17 -26.655 -2.421 2.351 1.00 20.00 O ATOM 383 CB GLN A 17 -27.416 0.333 0.597 1.00 20.00 C ATOM 384 CG GLN A 17 -27.296 0.965 -0.783 1.00 20.00 C ATOM 385 CD GLN A 17 -27.097 2.470 -0.708 1.00 20.00 C ATOM 386 OE1 GLN A 17 -26.538 2.984 0.259 1.00 20.00 O ATOM 387 NE2 GLN A 17 -27.543 3.186 -1.729 1.00 20.00 N ATOM 0 H GLN A 17 -29.528 -0.595 -0.279 1.00 20.00 H new ATOM 0 HA GLN A 17 -26.971 -1.683 -0.037 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -28.210 0.839 1.146 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -26.489 0.507 1.144 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.458 0.515 -1.315 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -28.194 0.747 -1.360 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -28.002 2.724 -2.514 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -27.428 4.199 -1.730 1.00 20.00 H new ATOM 396 N GLU A 18 -28.599 -1.392 2.825 1.00 20.00 N ATOM 397 CA GLU A 18 -28.600 -1.762 4.235 1.00 20.00 C ATOM 398 C GLU A 18 -28.663 -3.271 4.413 1.00 20.00 C ATOM 399 O GLU A 18 -28.126 -3.815 5.373 1.00 20.00 O ATOM 400 CB GLU A 18 -29.784 -1.109 4.956 1.00 20.00 C ATOM 401 CG GLU A 18 -29.701 0.408 5.048 1.00 20.00 C ATOM 402 CD GLU A 18 -30.942 1.012 5.668 1.00 20.00 C ATOM 403 OE1 GLU A 18 -31.235 0.699 6.842 1.00 20.00 O ATOM 404 OE2 GLU A 18 -31.633 1.801 4.987 1.00 20.00 O ATOM 0 H GLU A 18 -29.424 -0.869 2.531 1.00 20.00 H new ATOM 0 HA GLU A 18 -27.667 -1.404 4.670 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -30.704 -1.380 4.438 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -29.852 -1.519 5.963 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -28.829 0.687 5.639 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -29.556 0.823 4.051 1.00 20.00 H new ATOM 411 N ASN A 19 -29.319 -3.948 3.489 1.00 20.00 N ATOM 412 CA ASN A 19 -29.471 -5.391 3.589 1.00 20.00 C ATOM 413 C ASN A 19 -28.335 -6.127 2.888 1.00 20.00 C ATOM 414 O ASN A 19 -28.135 -7.314 3.126 1.00 20.00 O ATOM 415 CB ASN A 19 -30.824 -5.839 3.032 1.00 20.00 C ATOM 416 CG ASN A 19 -31.981 -5.390 3.908 1.00 20.00 C ATOM 417 OD1 ASN A 19 -31.822 -5.202 5.118 1.00 20.00 O ATOM 418 ND2 ASN A 19 -33.154 -5.220 3.316 1.00 20.00 N ATOM 0 H ASN A 19 -29.752 -3.528 2.667 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.430 -5.648 4.648 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.953 -5.436 2.027 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -30.837 -6.925 2.944 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -33.963 -4.924 3.862 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -33.248 -5.385 2.314 1.00 20.00 H new ATOM 425 N SER A 20 -27.581 -5.419 2.049 1.00 20.00 N ATOM 426 CA SER A 20 -26.512 -6.035 1.257 1.00 20.00 C ATOM 427 C SER A 20 -25.561 -6.870 2.118 1.00 20.00 C ATOM 428 O SER A 20 -25.348 -8.050 1.841 1.00 20.00 O ATOM 429 CB SER A 20 -25.717 -4.972 0.491 1.00 20.00 C ATOM 430 OG SER A 20 -26.507 -4.361 -0.517 1.00 20.00 O ATOM 0 H SER A 20 -27.689 -4.416 1.898 1.00 20.00 H new ATOM 0 HA SER A 20 -26.996 -6.705 0.546 1.00 20.00 H new ATOM 0 HB2 SER A 20 -25.360 -4.212 1.186 1.00 20.00 H new ATOM 0 HB3 SER A 20 -24.837 -5.429 0.038 1.00 20.00 H new ATOM 0 HG SER A 20 -27.281 -3.924 -0.105 1.00 20.00 H new ATOM 436 N TYR A 21 -25.015 -6.274 3.172 1.00 20.00 N ATOM 437 CA TYR A 21 -24.034 -6.967 4.000 1.00 20.00 C ATOM 438 C TYR A 21 -24.705 -8.063 4.820 1.00 20.00 C ATOM 439 O TYR A 21 -24.070 -9.046 5.202 1.00 20.00 O ATOM 440 CB TYR A 21 -23.289 -5.985 4.919 1.00 20.00 C ATOM 441 CG TYR A 21 -24.080 -5.522 6.126 1.00 20.00 C ATOM 442 CD1 TYR A 21 -25.011 -4.496 6.025 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.890 -6.113 7.371 1.00 20.00 C ATOM 444 CE1 TYR A 21 -25.730 -4.075 7.128 1.00 20.00 C ATOM 445 CE2 TYR A 21 -24.606 -5.696 8.477 1.00 20.00 C ATOM 446 CZ TYR A 21 -25.525 -4.679 8.348 1.00 20.00 C ATOM 447 OH TYR A 21 -26.242 -4.262 9.444 1.00 20.00 O ATOM 0 H TYR A 21 -25.231 -5.323 3.471 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.301 -7.428 3.337 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -22.370 -6.458 5.264 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -22.999 -5.112 4.335 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -25.176 -4.020 5.070 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.170 -6.912 7.475 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -26.450 -3.275 7.033 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -24.446 -6.165 9.437 1.00 20.00 H new ATOM 0 HH TYR A 21 -25.980 -4.790 10.227 1.00 20.00 H new ATOM 457 N ASN A 22 -25.997 -7.897 5.070 1.00 20.00 N ATOM 458 CA ASN A 22 -26.762 -8.876 5.831 1.00 20.00 C ATOM 459 C ASN A 22 -27.045 -10.101 4.972 1.00 20.00 C ATOM 460 O ASN A 22 -26.907 -11.238 5.429 1.00 20.00 O ATOM 461 CB ASN A 22 -28.074 -8.261 6.338 1.00 20.00 C ATOM 462 CG ASN A 22 -28.939 -9.259 7.093 1.00 20.00 C ATOM 463 OD1 ASN A 22 -28.765 -9.467 8.294 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.887 -9.873 6.402 1.00 20.00 N ATOM 0 H ASN A 22 -26.538 -7.092 4.756 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.173 -9.182 6.695 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.847 -7.418 6.990 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.636 -7.867 5.492 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -30.502 -10.543 6.864 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -30.002 -9.676 5.408 1.00 20.00 H new ATOM 471 N GLU A 23 -27.413 -9.864 3.720 1.00 20.00 N ATOM 472 CA GLU A 23 -27.679 -10.944 2.785 1.00 20.00 C ATOM 473 C GLU A 23 -26.384 -11.675 2.467 1.00 20.00 C ATOM 474 O GLU A 23 -26.357 -12.898 2.372 1.00 20.00 O ATOM 475 CB GLU A 23 -28.314 -10.414 1.493 1.00 20.00 C ATOM 476 CG GLU A 23 -29.592 -9.617 1.709 1.00 20.00 C ATOM 477 CD GLU A 23 -30.603 -10.345 2.567 1.00 20.00 C ATOM 478 OE1 GLU A 23 -31.364 -11.173 2.027 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.648 -10.086 3.789 1.00 20.00 O ATOM 0 H GLU A 23 -27.534 -8.930 3.329 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.384 -11.634 3.248 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -27.589 -9.785 0.977 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.531 -11.256 0.836 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.345 -8.664 2.177 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.040 -9.390 0.742 1.00 20.00 H new ATOM 486 N TRP A 24 -25.307 -10.911 2.326 1.00 20.00 N ATOM 487 CA TRP A 24 -23.993 -11.481 2.072 1.00 20.00 C ATOM 488 C TRP A 24 -23.550 -12.334 3.258 1.00 20.00 C ATOM 489 O TRP A 24 -22.969 -13.405 3.086 1.00 20.00 O ATOM 490 CB TRP A 24 -22.976 -10.367 1.800 1.00 20.00 C ATOM 491 CG TRP A 24 -21.669 -10.868 1.266 1.00 20.00 C ATOM 492 CD1 TRP A 24 -20.565 -11.221 1.988 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.327 -11.063 -0.111 1.00 20.00 C ATOM 494 NE1 TRP A 24 -19.562 -11.630 1.145 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.005 -11.543 -0.148 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.011 -10.883 -1.314 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -19.355 -11.842 -1.342 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -21.365 -11.180 -2.498 1.00 20.00 C ATOM 499 CH2 TRP A 24 -20.050 -11.655 -2.504 1.00 20.00 C ATOM 0 H TRP A 24 -25.320 -9.893 2.384 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.050 -12.119 1.190 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.404 -9.661 1.088 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.795 -9.817 2.724 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -20.492 -11.184 3.065 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -18.637 -11.947 1.435 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -23.027 -10.518 -1.319 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -18.339 -12.208 -1.350 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -21.884 -11.043 -3.435 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -19.573 -11.879 -3.447 1.00 20.00 H new ATOM 510 N LEU A 25 -23.859 -11.860 4.462 1.00 20.00 N ATOM 511 CA LEU A 25 -23.508 -12.567 5.690 1.00 20.00 C ATOM 512 C LEU A 25 -24.300 -13.863 5.821 1.00 20.00 C ATOM 513 O LEU A 25 -23.860 -14.807 6.474 1.00 20.00 O ATOM 514 CB LEU A 25 -23.774 -11.669 6.905 1.00 20.00 C ATOM 515 CG LEU A 25 -23.587 -12.330 8.277 1.00 20.00 C ATOM 516 CD1 LEU A 25 -22.143 -12.758 8.483 1.00 20.00 C ATOM 517 CD2 LEU A 25 -24.029 -11.387 9.388 1.00 20.00 C ATOM 0 H LEU A 25 -24.356 -10.982 4.614 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.448 -12.816 5.648 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -23.113 -10.805 6.846 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.795 -11.294 6.839 1.00 20.00 H new ATOM 0 HG LEU A 25 -24.212 -13.223 8.311 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -22.038 -13.224 9.463 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -21.861 -13.473 7.710 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.493 -11.885 8.424 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -23.889 -11.872 10.354 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -23.433 -10.475 9.350 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -25.082 -11.137 9.256 1.00 20.00 H new ATOM 529 N ARG A 26 -25.467 -13.902 5.201 1.00 20.00 N ATOM 530 CA ARG A 26 -26.324 -15.072 5.277 1.00 20.00 C ATOM 531 C ARG A 26 -26.014 -16.041 4.139 1.00 20.00 C ATOM 532 O ARG A 26 -25.811 -17.235 4.359 1.00 20.00 O ATOM 533 CB ARG A 26 -27.793 -14.650 5.221 1.00 20.00 C ATOM 534 CG ARG A 26 -28.729 -15.587 5.968 1.00 20.00 C ATOM 535 CD ARG A 26 -28.512 -15.496 7.470 1.00 20.00 C ATOM 536 NE ARG A 26 -28.689 -14.128 7.958 1.00 20.00 N ATOM 537 CZ ARG A 26 -28.400 -13.727 9.196 1.00 20.00 C ATOM 538 NH1 ARG A 26 -27.914 -14.589 10.080 1.00 20.00 N ATOM 539 NH2 ARG A 26 -28.602 -12.461 9.546 1.00 20.00 N ATOM 0 H ARG A 26 -25.842 -13.137 4.640 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.134 -15.579 6.223 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.889 -13.647 5.637 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.106 -14.594 4.178 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -29.763 -15.337 5.731 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.564 -16.612 5.635 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -29.212 -16.158 7.980 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -27.508 -15.843 7.715 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.058 -13.435 7.307 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -27.761 -15.561 9.813 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -27.694 -14.279 11.027 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -28.978 -11.798 8.868 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -28.382 -12.152 10.493 1.00 20.00 H new ATOM 553 N ALA A 27 -25.938 -15.506 2.928 1.00 20.00 N ATOM 554 CA ALA A 27 -25.780 -16.319 1.727 1.00 20.00 C ATOM 555 C ALA A 27 -24.364 -16.856 1.575 1.00 20.00 C ATOM 556 O ALA A 27 -24.093 -17.646 0.672 1.00 20.00 O ATOM 557 CB ALA A 27 -26.168 -15.516 0.500 1.00 20.00 C ATOM 0 H ALA A 27 -25.984 -14.503 2.749 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.443 -17.178 1.827 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -26.047 -16.132 -0.391 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -27.208 -15.202 0.585 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -25.528 -14.637 0.423 1.00 20.00 H new ATOM 563 N LYS A 28 -23.469 -16.441 2.463 1.00 20.00 N ATOM 564 CA LYS A 28 -22.086 -16.907 2.433 1.00 20.00 C ATOM 565 C LYS A 28 -22.007 -18.416 2.658 1.00 20.00 C ATOM 566 O LYS A 28 -20.987 -19.041 2.368 1.00 20.00 O ATOM 567 CB LYS A 28 -21.238 -16.152 3.469 1.00 20.00 C ATOM 568 CG LYS A 28 -21.779 -16.212 4.892 1.00 20.00 C ATOM 569 CD LYS A 28 -21.364 -17.484 5.617 1.00 20.00 C ATOM 570 CE LYS A 28 -21.990 -17.572 7.006 1.00 20.00 C ATOM 571 NZ LYS A 28 -21.804 -16.317 7.783 1.00 20.00 N ATOM 0 H LYS A 28 -23.675 -15.782 3.214 1.00 20.00 H new ATOM 0 HA LYS A 28 -21.681 -16.698 1.443 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -20.228 -16.561 3.460 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.162 -15.108 3.166 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -21.423 -15.346 5.450 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -22.867 -16.150 4.867 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -21.661 -18.352 5.028 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -20.278 -17.515 5.705 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -23.055 -17.785 6.911 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -21.546 -18.405 7.551 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -21.943 -16.512 8.795 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -20.842 -15.953 7.629 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -22.497 -15.608 7.468 1.00 20.00 H new ATOM 585 N VAL A 29 -23.083 -18.993 3.181 1.00 20.00 N ATOM 586 CA VAL A 29 -23.167 -20.434 3.344 1.00 20.00 C ATOM 587 C VAL A 29 -23.295 -21.104 1.980 1.00 20.00 C ATOM 588 O VAL A 29 -22.542 -22.023 1.651 1.00 20.00 O ATOM 589 CB VAL A 29 -24.359 -20.841 4.234 1.00 20.00 C ATOM 590 CG1 VAL A 29 -24.433 -22.354 4.377 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.257 -20.179 5.600 1.00 20.00 C ATOM 0 H VAL A 29 -23.907 -18.483 3.498 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.252 -20.765 3.836 1.00 20.00 H new ATOM 0 HB VAL A 29 -25.276 -20.499 3.754 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -25.281 -22.619 5.009 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -24.558 -22.807 3.393 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -23.513 -22.722 4.832 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.107 -20.478 6.214 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -23.332 -20.488 6.086 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -24.259 -19.096 5.480 1.00 20.00 H new ATOM 601 N ALA A 30 -24.232 -20.606 1.180 1.00 20.00 N ATOM 602 CA ALA A 30 -24.474 -21.121 -0.161 1.00 20.00 C ATOM 603 C ALA A 30 -25.464 -20.228 -0.903 1.00 20.00 C ATOM 604 O ALA A 30 -25.073 -19.400 -1.726 1.00 20.00 O ATOM 605 CB ALA A 30 -24.984 -22.555 -0.103 1.00 20.00 C ATOM 0 H ALA A 30 -24.844 -19.834 1.444 1.00 20.00 H new ATOM 0 HA ALA A 30 -23.530 -21.118 -0.706 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -25.158 -22.920 -1.115 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -24.242 -23.185 0.388 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -25.917 -22.587 0.460 1.00 20.00 H new ATOM 611 N THR A 31 -26.746 -20.384 -0.589 1.00 20.00 N ATOM 612 CA THR A 31 -27.796 -19.585 -1.208 1.00 20.00 C ATOM 613 C THR A 31 -28.826 -19.171 -0.164 1.00 20.00 C ATOM 614 O THR A 31 -30.021 -19.083 -0.444 1.00 20.00 O ATOM 615 CB THR A 31 -28.505 -20.369 -2.333 1.00 20.00 C ATOM 616 OG1 THR A 31 -28.858 -21.680 -1.867 1.00 20.00 O ATOM 617 CG2 THR A 31 -27.626 -20.480 -3.568 1.00 20.00 C ATOM 0 H THR A 31 -27.084 -21.061 0.095 1.00 20.00 H new ATOM 0 HA THR A 31 -27.328 -18.700 -1.638 1.00 20.00 H new ATOM 0 HB THR A 31 -29.408 -19.823 -2.608 1.00 20.00 H new ATOM 0 HG1 THR A 31 -29.309 -22.172 -2.585 1.00 20.00 H new ATOM 0 HG21 THR A 31 -28.154 -21.037 -4.342 1.00 20.00 H new ATOM 0 HG22 THR A 31 -27.390 -19.482 -3.937 1.00 20.00 H new ATOM 0 HG23 THR A 31 -26.703 -21.000 -3.312 1.00 20.00 H new ATOM 625 N SER A 32 -28.346 -18.913 1.038 1.00 20.00 N ATOM 626 CA SER A 32 -29.214 -18.665 2.178 1.00 20.00 C ATOM 627 C SER A 32 -29.753 -17.233 2.194 1.00 20.00 C ATOM 628 O SER A 32 -29.094 -16.319 2.684 1.00 20.00 O ATOM 629 CB SER A 32 -28.441 -18.937 3.467 1.00 20.00 C ATOM 630 OG SER A 32 -27.689 -20.136 3.362 1.00 20.00 O ATOM 0 H SER A 32 -27.350 -18.869 1.253 1.00 20.00 H new ATOM 0 HA SER A 32 -30.070 -19.335 2.098 1.00 20.00 H new ATOM 0 HB2 SER A 32 -27.774 -18.102 3.679 1.00 20.00 H new ATOM 0 HB3 SER A 32 -29.136 -19.010 4.304 1.00 20.00 H new ATOM 0 HG SER A 32 -27.465 -20.461 4.259 1.00 20.00 H new ATOM 636 N LEU A 33 -30.947 -17.042 1.648 1.00 20.00 N ATOM 637 CA LEU A 33 -31.652 -15.771 1.790 1.00 20.00 C ATOM 638 C LEU A 33 -32.769 -15.923 2.814 1.00 20.00 C ATOM 639 O LEU A 33 -33.493 -14.974 3.122 1.00 20.00 O ATOM 640 CB LEU A 33 -32.219 -15.297 0.448 1.00 20.00 C ATOM 641 CG LEU A 33 -31.177 -14.948 -0.622 1.00 20.00 C ATOM 642 CD1 LEU A 33 -31.860 -14.500 -1.903 1.00 20.00 C ATOM 643 CD2 LEU A 33 -30.228 -13.864 -0.125 1.00 20.00 C ATOM 0 H LEU A 33 -31.447 -17.746 1.105 1.00 20.00 H new ATOM 0 HA LEU A 33 -30.944 -15.017 2.133 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -32.872 -16.075 0.054 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -32.840 -14.419 0.625 1.00 20.00 H new ATOM 0 HG LEU A 33 -30.594 -15.845 -0.830 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -31.106 -14.256 -2.651 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -32.496 -15.303 -2.276 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -32.469 -13.619 -1.702 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -29.499 -13.635 -0.902 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -30.796 -12.966 0.116 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -29.709 -14.216 0.767 1.00 20.00 H new ATOM 655 N ALA A 34 -32.894 -17.137 3.329 1.00 20.00 N ATOM 656 CA ALA A 34 -33.858 -17.450 4.370 1.00 20.00 C ATOM 657 C ALA A 34 -33.165 -17.508 5.724 1.00 20.00 C ATOM 658 O ALA A 34 -31.968 -17.236 5.832 1.00 20.00 O ATOM 659 CB ALA A 34 -34.536 -18.777 4.061 1.00 20.00 C ATOM 0 H ALA A 34 -32.328 -17.933 3.035 1.00 20.00 H new ATOM 0 HA ALA A 34 -34.616 -16.668 4.404 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -35.258 -19.008 4.844 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -35.050 -18.708 3.102 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -33.786 -19.567 4.015 1.00 20.00 H new ATOM 665 N ASP A 35 -33.915 -17.851 6.760 1.00 20.00 N ATOM 666 CA ASP A 35 -33.351 -17.961 8.100 1.00 20.00 C ATOM 667 C ASP A 35 -33.217 -19.423 8.514 1.00 20.00 C ATOM 668 O ASP A 35 -34.217 -20.125 8.654 1.00 20.00 O ATOM 669 CB ASP A 35 -34.217 -17.207 9.116 1.00 20.00 C ATOM 670 CG ASP A 35 -33.705 -17.356 10.536 1.00 20.00 C ATOM 671 OD1 ASP A 35 -32.554 -16.957 10.803 1.00 20.00 O ATOM 672 OD2 ASP A 35 -34.453 -17.861 11.399 1.00 20.00 O ATOM 0 H ASP A 35 -34.912 -18.058 6.701 1.00 20.00 H new ATOM 0 HA ASP A 35 -32.358 -17.511 8.083 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -34.245 -16.150 8.852 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -35.241 -17.576 9.061 1.00 20.00 H new ATOM 677 N PRO A 36 -31.975 -19.906 8.688 1.00 20.00 N ATOM 678 CA PRO A 36 -31.714 -21.278 9.136 1.00 20.00 C ATOM 679 C PRO A 36 -32.123 -21.481 10.590 1.00 20.00 C ATOM 680 O PRO A 36 -31.625 -20.798 11.489 1.00 20.00 O ATOM 681 CB PRO A 36 -30.200 -21.426 8.979 1.00 20.00 C ATOM 682 CG PRO A 36 -29.675 -20.037 9.081 1.00 20.00 C ATOM 683 CD PRO A 36 -30.726 -19.157 8.461 1.00 20.00 C ATOM 0 HA PRO A 36 -32.281 -22.014 8.566 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -29.782 -22.066 9.756 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -29.943 -21.878 8.021 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -29.497 -19.761 10.120 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -28.724 -19.939 8.558 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -30.756 -18.174 8.931 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -30.541 -18.997 7.399 1.00 20.00 H new ATOM 691 N ARG A 37 -33.031 -22.416 10.816 1.00 20.00 N ATOM 692 CA ARG A 37 -33.593 -22.640 12.140 1.00 20.00 C ATOM 693 C ARG A 37 -34.189 -24.042 12.241 1.00 20.00 C ATOM 694 O ARG A 37 -35.406 -24.224 12.174 1.00 20.00 O ATOM 695 CB ARG A 37 -34.654 -21.577 12.434 1.00 20.00 C ATOM 696 CG ARG A 37 -35.641 -21.387 11.299 1.00 20.00 C ATOM 697 CD ARG A 37 -36.506 -20.166 11.511 1.00 20.00 C ATOM 698 NE ARG A 37 -37.409 -19.942 10.385 1.00 20.00 N ATOM 699 CZ ARG A 37 -37.778 -18.736 9.958 1.00 20.00 C ATOM 700 NH1 ARG A 37 -37.276 -17.642 10.517 1.00 20.00 N ATOM 701 NH2 ARG A 37 -38.626 -18.629 8.948 1.00 20.00 N ATOM 0 H ARG A 37 -33.398 -23.037 10.095 1.00 20.00 H new ATOM 0 HA ARG A 37 -32.798 -22.560 12.882 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -35.198 -21.856 13.337 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -34.160 -20.627 12.640 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -35.100 -21.291 10.358 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -36.273 -22.271 11.214 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -37.087 -20.286 12.425 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -35.872 -19.290 11.649 1.00 20.00 H new ATOM 0 HE ARG A 37 -37.779 -20.758 9.897 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -36.603 -17.722 11.279 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -37.563 -16.722 10.185 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -38.994 -19.468 8.500 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -38.912 -17.707 8.617 1.00 20.00 H new ATOM 715 N PRO A 38 -33.328 -25.058 12.397 1.00 20.00 N ATOM 716 CA PRO A 38 -33.752 -26.461 12.446 1.00 20.00 C ATOM 717 C PRO A 38 -34.671 -26.770 13.626 1.00 20.00 C ATOM 718 O PRO A 38 -35.460 -27.711 13.571 1.00 20.00 O ATOM 719 CB PRO A 38 -32.437 -27.239 12.582 1.00 20.00 C ATOM 720 CG PRO A 38 -31.449 -26.249 13.094 1.00 20.00 C ATOM 721 CD PRO A 38 -31.865 -24.923 12.526 1.00 20.00 C ATOM 0 HA PRO A 38 -34.333 -26.725 11.562 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -32.545 -28.079 13.269 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -32.122 -27.650 11.623 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -31.449 -26.225 14.184 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -30.438 -26.508 12.781 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -31.593 -24.099 13.185 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -31.392 -24.731 11.563 1.00 20.00 H new ATOM 729 N ALA A 39 -34.566 -25.982 14.687 1.00 20.00 N ATOM 730 CA ALA A 39 -35.355 -26.230 15.886 1.00 20.00 C ATOM 731 C ALA A 39 -36.715 -25.533 15.832 1.00 20.00 C ATOM 732 O ALA A 39 -37.756 -26.189 15.924 1.00 20.00 O ATOM 733 CB ALA A 39 -34.588 -25.804 17.128 1.00 20.00 C ATOM 0 H ALA A 39 -33.948 -25.172 14.743 1.00 20.00 H new ATOM 0 HA ALA A 39 -35.541 -27.303 15.935 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -35.193 -25.997 18.014 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -33.659 -26.370 17.194 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -34.361 -24.739 17.068 1.00 20.00 H new ATOM 739 N ILE A 40 -36.714 -24.212 15.694 1.00 20.00 N ATOM 740 CA ILE A 40 -37.956 -23.448 15.735 1.00 20.00 C ATOM 741 C ILE A 40 -38.182 -22.679 14.436 1.00 20.00 C ATOM 742 O ILE A 40 -37.520 -21.674 14.176 1.00 20.00 O ATOM 743 CB ILE A 40 -37.972 -22.446 16.908 1.00 20.00 C ATOM 744 CG1 ILE A 40 -37.554 -23.131 18.212 1.00 20.00 C ATOM 745 CG2 ILE A 40 -39.360 -21.834 17.052 1.00 20.00 C ATOM 746 CD1 ILE A 40 -37.432 -22.185 19.385 1.00 20.00 C ATOM 0 H ILE A 40 -35.874 -23.651 15.554 1.00 20.00 H new ATOM 0 HA ILE A 40 -38.756 -24.175 15.872 1.00 20.00 H new ATOM 0 HB ILE A 40 -37.256 -21.652 16.696 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -38.282 -23.905 18.455 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -36.597 -23.631 18.059 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -39.362 -21.128 17.882 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -39.625 -21.313 16.132 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -40.087 -22.623 17.245 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -37.133 -22.743 20.272 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -36.682 -21.426 19.164 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -38.393 -21.704 19.566 1.00 20.00 H new ATOM 758 N PRO A 41 -39.125 -23.141 13.606 1.00 20.00 N ATOM 759 CA PRO A 41 -39.477 -22.463 12.361 1.00 20.00 C ATOM 760 C PRO A 41 -40.417 -21.280 12.603 1.00 20.00 C ATOM 761 O PRO A 41 -41.525 -21.449 13.111 1.00 20.00 O ATOM 762 CB PRO A 41 -40.182 -23.555 11.559 1.00 20.00 C ATOM 763 CG PRO A 41 -40.774 -24.469 12.577 1.00 20.00 C ATOM 764 CD PRO A 41 -39.918 -24.365 13.817 1.00 20.00 C ATOM 0 HA PRO A 41 -38.608 -22.041 11.856 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -40.952 -23.134 10.913 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -39.481 -24.085 10.915 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -41.804 -24.187 12.795 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -40.795 -25.495 12.208 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -40.528 -24.294 14.717 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -39.278 -25.239 13.934 1.00 20.00 H new ATOM 772 N HIS A 42 -39.979 -20.081 12.238 1.00 20.00 N ATOM 773 CA HIS A 42 -40.784 -18.882 12.459 1.00 20.00 C ATOM 774 C HIS A 42 -41.735 -18.633 11.298 1.00 20.00 C ATOM 775 O HIS A 42 -42.739 -17.949 11.455 1.00 20.00 O ATOM 776 CB HIS A 42 -39.900 -17.650 12.670 1.00 20.00 C ATOM 777 CG HIS A 42 -39.250 -17.585 14.017 1.00 20.00 C ATOM 778 ND1 HIS A 42 -39.440 -16.538 14.892 1.00 20.00 N ATOM 779 CD2 HIS A 42 -38.395 -18.434 14.633 1.00 20.00 C ATOM 780 CE1 HIS A 42 -38.727 -16.745 15.982 1.00 20.00 C ATOM 781 NE2 HIS A 42 -38.084 -17.889 15.851 1.00 20.00 N ATOM 0 H HIS A 42 -39.078 -19.912 11.791 1.00 20.00 H new ATOM 0 HA HIS A 42 -41.369 -19.054 13.362 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -39.125 -17.637 11.904 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -40.504 -16.754 12.527 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -38.026 -19.369 14.237 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -38.678 -16.088 16.838 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -37.458 -18.301 16.543 1.00 20.00 H new ATOM 790 N ASP A 43 -41.432 -19.213 10.145 1.00 20.00 N ATOM 791 CA ASP A 43 -42.222 -18.983 8.933 1.00 20.00 C ATOM 792 C ASP A 43 -43.642 -19.518 9.074 1.00 20.00 C ATOM 793 O ASP A 43 -44.577 -18.979 8.485 1.00 20.00 O ATOM 794 CB ASP A 43 -41.537 -19.610 7.715 1.00 20.00 C ATOM 795 CG ASP A 43 -41.056 -21.023 7.973 1.00 20.00 C ATOM 796 OD1 ASP A 43 -40.011 -21.180 8.642 1.00 20.00 O ATOM 797 OD2 ASP A 43 -41.705 -21.983 7.504 1.00 20.00 O ATOM 0 H ASP A 43 -40.644 -19.848 10.018 1.00 20.00 H new ATOM 0 HA ASP A 43 -42.286 -17.905 8.787 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -42.233 -19.616 6.876 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -40.689 -18.991 7.422 1.00 20.00 H new ATOM 802 N GLU A 44 -43.805 -20.564 9.866 1.00 20.00 N ATOM 803 CA GLU A 44 -45.120 -21.156 10.070 1.00 20.00 C ATOM 804 C GLU A 44 -45.907 -20.388 11.126 1.00 20.00 C ATOM 805 O GLU A 44 -47.132 -20.312 11.067 1.00 20.00 O ATOM 806 CB GLU A 44 -44.989 -22.632 10.452 1.00 20.00 C ATOM 807 CG GLU A 44 -44.433 -23.492 9.324 1.00 20.00 C ATOM 808 CD GLU A 44 -44.309 -24.954 9.695 1.00 20.00 C ATOM 809 OE1 GLU A 44 -45.342 -25.655 9.729 1.00 20.00 O ATOM 810 OE2 GLU A 44 -43.174 -25.417 9.932 1.00 20.00 O ATOM 0 H GLU A 44 -43.049 -21.020 10.377 1.00 20.00 H new ATOM 0 HA GLU A 44 -45.672 -21.092 9.132 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -44.339 -22.720 11.323 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -45.967 -23.014 10.744 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -45.080 -23.399 8.452 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -43.453 -23.112 9.036 1.00 20.00 H new ATOM 817 N VAL A 45 -45.196 -19.796 12.074 1.00 20.00 N ATOM 818 CA VAL A 45 -45.831 -19.020 13.129 1.00 20.00 C ATOM 819 C VAL A 45 -46.159 -17.615 12.637 1.00 20.00 C ATOM 820 O VAL A 45 -47.289 -17.147 12.763 1.00 20.00 O ATOM 821 CB VAL A 45 -44.932 -18.924 14.379 1.00 20.00 C ATOM 822 CG1 VAL A 45 -45.631 -18.156 15.491 1.00 20.00 C ATOM 823 CG2 VAL A 45 -44.529 -20.311 14.853 1.00 20.00 C ATOM 0 H VAL A 45 -44.179 -19.838 12.134 1.00 20.00 H new ATOM 0 HA VAL A 45 -46.752 -19.536 13.401 1.00 20.00 H new ATOM 0 HB VAL A 45 -44.028 -18.378 14.109 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -44.978 -18.101 16.362 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -45.862 -17.148 15.147 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -46.555 -18.668 15.762 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -43.895 -20.224 15.735 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -45.422 -20.884 15.103 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -43.980 -20.821 14.061 1.00 20.00 H new ATOM 833 N GLU A 46 -45.164 -16.963 12.048 1.00 20.00 N ATOM 834 CA GLU A 46 -45.295 -15.587 11.580 1.00 20.00 C ATOM 835 C GLU A 46 -46.418 -15.457 10.558 1.00 20.00 C ATOM 836 O GLU A 46 -47.182 -14.493 10.578 1.00 20.00 O ATOM 837 CB GLU A 46 -43.973 -15.120 10.964 1.00 20.00 C ATOM 838 CG GLU A 46 -43.951 -13.655 10.566 1.00 20.00 C ATOM 839 CD GLU A 46 -42.652 -13.266 9.898 1.00 20.00 C ATOM 840 OE1 GLU A 46 -41.665 -13.003 10.615 1.00 20.00 O ATOM 841 OE2 GLU A 46 -42.613 -13.225 8.648 1.00 20.00 O ATOM 0 H GLU A 46 -44.244 -17.372 11.881 1.00 20.00 H new ATOM 0 HA GLU A 46 -45.541 -14.958 12.436 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -43.169 -15.303 11.677 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -43.762 -15.727 10.083 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -44.781 -13.451 9.890 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -44.102 -13.037 11.451 1.00 20.00 H new ATOM 848 N ARG A 47 -46.528 -16.441 9.677 1.00 20.00 N ATOM 849 CA ARG A 47 -47.533 -16.412 8.621 1.00 20.00 C ATOM 850 C ARG A 47 -48.944 -16.511 9.199 1.00 20.00 C ATOM 851 O ARG A 47 -49.893 -15.975 8.635 1.00 20.00 O ATOM 852 CB ARG A 47 -47.283 -17.549 7.626 1.00 20.00 C ATOM 853 CG ARG A 47 -48.230 -17.560 6.433 1.00 20.00 C ATOM 854 CD ARG A 47 -48.203 -16.239 5.678 1.00 20.00 C ATOM 855 NE ARG A 47 -48.989 -16.299 4.448 1.00 20.00 N ATOM 856 CZ ARG A 47 -49.610 -15.255 3.902 1.00 20.00 C ATOM 857 NH1 ARG A 47 -49.605 -14.076 4.513 1.00 20.00 N ATOM 858 NH2 ARG A 47 -50.259 -15.398 2.753 1.00 20.00 N ATOM 0 H ARG A 47 -45.934 -17.270 9.671 1.00 20.00 H new ATOM 0 HA ARG A 47 -47.451 -15.459 8.099 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -46.259 -17.477 7.261 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -47.368 -18.500 8.151 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -47.955 -18.370 5.758 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -49.245 -17.762 6.776 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -48.591 -15.447 6.318 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -47.172 -15.979 5.438 1.00 20.00 H new ATOM 0 HE ARG A 47 -49.067 -17.200 3.976 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -49.124 -13.966 5.406 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -50.082 -13.280 4.090 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -50.282 -16.306 2.290 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -50.735 -14.599 2.333 1.00 20.00 H new ATOM 872 N ARG A 48 -49.076 -17.189 10.325 1.00 20.00 N ATOM 873 CA ARG A 48 -50.379 -17.370 10.950 1.00 20.00 C ATOM 874 C ARG A 48 -50.675 -16.250 11.941 1.00 20.00 C ATOM 875 O ARG A 48 -51.831 -15.884 12.155 1.00 20.00 O ATOM 876 CB ARG A 48 -50.443 -18.721 11.665 1.00 20.00 C ATOM 877 CG ARG A 48 -50.337 -19.920 10.735 1.00 20.00 C ATOM 878 CD ARG A 48 -50.424 -21.228 11.505 1.00 20.00 C ATOM 879 NE ARG A 48 -51.678 -21.345 12.254 1.00 20.00 N ATOM 880 CZ ARG A 48 -51.797 -22.014 13.401 1.00 20.00 C ATOM 881 NH1 ARG A 48 -50.746 -22.625 13.928 1.00 20.00 N ATOM 882 NH2 ARG A 48 -52.972 -22.076 14.018 1.00 20.00 N ATOM 0 H ARG A 48 -48.301 -17.623 10.826 1.00 20.00 H new ATOM 0 HA ARG A 48 -51.132 -17.342 10.163 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -49.638 -18.771 12.398 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -51.381 -18.784 12.217 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -51.135 -19.879 9.993 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -49.393 -19.878 10.191 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -50.338 -22.063 10.810 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -49.583 -21.299 12.194 1.00 20.00 H new ATOM 0 HE ARG A 48 -52.508 -20.888 11.876 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -49.843 -22.584 13.456 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -50.840 -23.136 14.806 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -53.785 -21.611 13.614 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -53.061 -22.588 14.895 1.00 20.00 H new ATOM 896 N MET A 49 -49.625 -15.710 12.539 1.00 20.00 N ATOM 897 CA MET A 49 -49.769 -14.747 13.624 1.00 20.00 C ATOM 898 C MET A 49 -49.823 -13.307 13.117 1.00 20.00 C ATOM 899 O MET A 49 -50.704 -12.538 13.507 1.00 20.00 O ATOM 900 CB MET A 49 -48.600 -14.899 14.599 1.00 20.00 C ATOM 901 CG MET A 49 -48.828 -14.224 15.938 1.00 20.00 C ATOM 902 SD MET A 49 -50.148 -15.002 16.890 1.00 20.00 S ATOM 903 CE MET A 49 -49.466 -16.640 17.148 1.00 20.00 C ATOM 0 H MET A 49 -48.659 -15.922 12.291 1.00 20.00 H new ATOM 0 HA MET A 49 -50.714 -14.956 14.125 1.00 20.00 H new ATOM 0 HB2 MET A 49 -48.413 -15.960 14.765 1.00 20.00 H new ATOM 0 HB3 MET A 49 -47.702 -14.484 14.142 1.00 20.00 H new ATOM 0 HG2 MET A 49 -47.904 -14.250 16.516 1.00 20.00 H new ATOM 0 HG3 MET A 49 -49.073 -13.174 15.775 1.00 20.00 H new ATOM 0 HE1 MET A 49 -49.981 -17.122 17.979 1.00 20.00 H new ATOM 0 HE2 MET A 49 -49.598 -17.236 16.245 1.00 20.00 H new ATOM 0 HE3 MET A 49 -48.403 -16.560 17.377 1.00 20.00 H new ATOM 913 N ALA A 50 -48.889 -12.955 12.236 1.00 20.00 N ATOM 914 CA ALA A 50 -48.676 -11.563 11.844 1.00 20.00 C ATOM 915 C ALA A 50 -49.917 -10.922 11.233 1.00 20.00 C ATOM 916 O ALA A 50 -50.462 -9.977 11.798 1.00 20.00 O ATOM 917 CB ALA A 50 -47.507 -11.458 10.881 1.00 20.00 C ATOM 0 H ALA A 50 -48.264 -13.618 11.778 1.00 20.00 H new ATOM 0 HA ALA A 50 -48.450 -11.012 12.757 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -47.361 -10.415 10.598 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -46.604 -11.833 11.363 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -47.716 -12.050 9.990 1.00 20.00 H new ATOM 923 N GLU A 51 -50.364 -11.435 10.091 1.00 20.00 N ATOM 924 CA GLU A 51 -51.487 -10.837 9.368 1.00 20.00 C ATOM 925 C GLU A 51 -52.753 -10.795 10.221 1.00 20.00 C ATOM 926 O GLU A 51 -53.570 -9.877 10.096 1.00 20.00 O ATOM 927 CB GLU A 51 -51.765 -11.593 8.066 1.00 20.00 C ATOM 928 CG GLU A 51 -50.768 -11.307 6.947 1.00 20.00 C ATOM 929 CD GLU A 51 -49.383 -11.860 7.212 1.00 20.00 C ATOM 930 OE1 GLU A 51 -49.191 -13.087 7.066 1.00 20.00 O ATOM 931 OE2 GLU A 51 -48.476 -11.072 7.546 1.00 20.00 O ATOM 0 H GLU A 51 -49.968 -12.262 9.645 1.00 20.00 H new ATOM 0 HA GLU A 51 -51.202 -9.812 9.131 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -51.763 -12.663 8.274 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -52.766 -11.338 7.718 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -51.147 -11.731 6.017 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -50.698 -10.229 6.801 1.00 20.00 H new ATOM 938 N ARG A 52 -52.904 -11.777 11.100 1.00 20.00 N ATOM 939 CA ARG A 52 -54.065 -11.845 11.972 1.00 20.00 C ATOM 940 C ARG A 52 -54.034 -10.717 13.001 1.00 20.00 C ATOM 941 O ARG A 52 -55.058 -10.093 13.288 1.00 20.00 O ATOM 942 CB ARG A 52 -54.125 -13.207 12.673 1.00 20.00 C ATOM 943 CG ARG A 52 -55.315 -13.358 13.604 1.00 20.00 C ATOM 944 CD ARG A 52 -55.375 -14.743 14.225 1.00 20.00 C ATOM 945 NE ARG A 52 -54.229 -15.016 15.089 1.00 20.00 N ATOM 946 CZ ARG A 52 -53.934 -16.223 15.569 1.00 20.00 C ATOM 947 NH1 ARG A 52 -54.683 -17.272 15.251 1.00 20.00 N ATOM 948 NH2 ARG A 52 -52.889 -16.381 16.369 1.00 20.00 N ATOM 0 H ARG A 52 -52.236 -12.537 11.227 1.00 20.00 H new ATOM 0 HA ARG A 52 -54.961 -11.727 11.362 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -54.162 -13.993 11.919 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -53.207 -13.354 13.243 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -55.256 -12.608 14.393 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -56.235 -13.168 13.051 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -56.294 -14.839 14.803 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -55.417 -15.492 13.434 1.00 20.00 H new ATOM 0 HE ARG A 52 -53.620 -14.237 15.339 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -55.489 -17.156 14.636 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -54.453 -18.194 15.621 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -52.311 -15.578 16.617 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -52.663 -17.305 16.737 1.00 20.00 H new ATOM 962 N PHE A 53 -52.854 -10.450 13.547 1.00 20.00 N ATOM 963 CA PHE A 53 -52.689 -9.377 14.516 1.00 20.00 C ATOM 964 C PHE A 53 -52.661 -8.026 13.811 1.00 20.00 C ATOM 965 O PHE A 53 -53.152 -7.026 14.337 1.00 20.00 O ATOM 966 CB PHE A 53 -51.405 -9.580 15.327 1.00 20.00 C ATOM 967 CG PHE A 53 -51.176 -8.515 16.365 1.00 20.00 C ATOM 968 CD1 PHE A 53 -52.106 -8.294 17.370 1.00 20.00 C ATOM 969 CD2 PHE A 53 -50.033 -7.733 16.334 1.00 20.00 C ATOM 970 CE1 PHE A 53 -51.900 -7.315 18.321 1.00 20.00 C ATOM 971 CE2 PHE A 53 -49.821 -6.752 17.284 1.00 20.00 C ATOM 972 CZ PHE A 53 -50.756 -6.543 18.278 1.00 20.00 C ATOM 0 H PHE A 53 -51.998 -10.962 13.334 1.00 20.00 H new ATOM 0 HA PHE A 53 -53.537 -9.396 15.200 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -51.445 -10.552 15.818 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -50.554 -9.601 14.646 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -53.002 -8.895 17.409 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -49.299 -7.892 15.558 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -52.633 -7.153 19.098 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -48.925 -6.150 17.249 1.00 20.00 H new ATOM 0 HZ PHE A 53 -50.593 -5.777 19.021 1.00 20.00 H new ATOM 982 N ALA A 54 -52.096 -8.010 12.610 1.00 20.00 N ATOM 983 CA ALA A 54 -51.999 -6.794 11.813 1.00 20.00 C ATOM 984 C ALA A 54 -53.381 -6.245 11.490 1.00 20.00 C ATOM 985 O ALA A 54 -53.566 -5.038 11.368 1.00 20.00 O ATOM 986 CB ALA A 54 -51.221 -7.058 10.536 1.00 20.00 C ATOM 0 H ALA A 54 -51.694 -8.834 12.163 1.00 20.00 H new ATOM 0 HA ALA A 54 -51.465 -6.046 12.398 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -51.158 -6.140 9.952 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -50.216 -7.399 10.786 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -51.730 -7.825 9.952 1.00 20.00 H new ATOM 992 N LYS A 55 -54.352 -7.142 11.366 1.00 20.00 N ATOM 993 CA LYS A 55 -55.735 -6.754 11.122 1.00 20.00 C ATOM 994 C LYS A 55 -56.261 -5.886 12.267 1.00 20.00 C ATOM 995 O LYS A 55 -57.072 -4.984 12.059 1.00 20.00 O ATOM 996 CB LYS A 55 -56.609 -8.001 10.957 1.00 20.00 C ATOM 997 CG LYS A 55 -58.090 -7.703 10.776 1.00 20.00 C ATOM 998 CD LYS A 55 -58.882 -8.969 10.516 1.00 20.00 C ATOM 999 CE LYS A 55 -60.370 -8.681 10.398 1.00 20.00 C ATOM 1000 NZ LYS A 55 -60.965 -8.267 11.696 1.00 20.00 N ATOM 0 H LYS A 55 -54.205 -8.149 11.431 1.00 20.00 H new ATOM 0 HA LYS A 55 -55.775 -6.170 10.202 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -56.256 -8.568 10.096 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -56.482 -8.639 11.832 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -58.475 -7.208 11.668 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -58.224 -7.011 9.945 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -58.528 -9.439 9.599 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -58.711 -9.679 11.325 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -60.529 -7.895 9.660 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -60.883 -9.570 10.032 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -62.000 -8.229 11.607 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -60.706 -8.955 12.432 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -60.605 -7.327 11.959 1.00 20.00 H new ATOM 1014 N MET A 56 -55.759 -6.143 13.466 1.00 20.00 N ATOM 1015 CA MET A 56 -56.178 -5.403 14.653 1.00 20.00 C ATOM 1016 C MET A 56 -55.486 -4.045 14.708 1.00 20.00 C ATOM 1017 O MET A 56 -55.891 -3.152 15.456 1.00 20.00 O ATOM 1018 CB MET A 56 -55.852 -6.204 15.918 1.00 20.00 C ATOM 1019 CG MET A 56 -56.529 -7.567 15.980 1.00 20.00 C ATOM 1020 SD MET A 56 -55.910 -8.594 17.329 1.00 20.00 S ATOM 1021 CE MET A 56 -56.315 -7.576 18.747 1.00 20.00 C ATOM 0 H MET A 56 -55.058 -6.861 13.646 1.00 20.00 H new ATOM 0 HA MET A 56 -57.255 -5.246 14.598 1.00 20.00 H new ATOM 0 HB2 MET A 56 -54.773 -6.343 15.980 1.00 20.00 H new ATOM 0 HB3 MET A 56 -56.149 -5.622 16.791 1.00 20.00 H new ATOM 0 HG2 MET A 56 -57.604 -7.429 16.098 1.00 20.00 H new ATOM 0 HG3 MET A 56 -56.377 -8.087 15.034 1.00 20.00 H new ATOM 0 HE1 MET A 56 -56.227 -8.169 19.658 1.00 20.00 H new ATOM 0 HE2 MET A 56 -55.628 -6.731 18.796 1.00 20.00 H new ATOM 0 HE3 MET A 56 -57.337 -7.208 18.651 1.00 20.00 H new ATOM 1031 N ARG A 57 -54.443 -3.897 13.902 1.00 20.00 N ATOM 1032 CA ARG A 57 -53.660 -2.668 13.865 1.00 20.00 C ATOM 1033 C ARG A 57 -53.900 -1.920 12.558 1.00 20.00 C ATOM 1034 O ARG A 57 -53.216 -0.941 12.263 1.00 20.00 O ATOM 1035 CB ARG A 57 -52.166 -2.990 13.999 1.00 20.00 C ATOM 1036 CG ARG A 57 -51.800 -3.729 15.275 1.00 20.00 C ATOM 1037 CD ARG A 57 -51.822 -2.809 16.484 1.00 20.00 C ATOM 1038 NE ARG A 57 -50.764 -1.802 16.423 1.00 20.00 N ATOM 1039 CZ ARG A 57 -50.731 -0.706 17.179 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -51.711 -0.458 18.037 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -49.714 0.139 17.075 1.00 20.00 N ATOM 0 H ARG A 57 -54.117 -4.619 13.260 1.00 20.00 H new ATOM 0 HA ARG A 57 -53.973 -2.038 14.698 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -51.857 -3.590 13.143 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -51.600 -2.059 13.956 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -52.497 -4.552 15.431 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -50.808 -4.168 15.170 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -52.791 -2.314 16.546 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -51.708 -3.401 17.392 1.00 20.00 H new ATOM 0 HE ARG A 57 -50.003 -1.948 15.760 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -52.493 -1.108 18.120 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -51.683 0.382 18.615 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -48.958 -0.051 16.417 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -49.687 0.979 17.653 1.00 20.00 H new ATOM 1055 N LYS A 58 -54.887 -2.395 11.793 1.00 20.00 N ATOM 1056 CA LYS A 58 -55.159 -1.885 10.450 1.00 20.00 C ATOM 1057 C LYS A 58 -53.935 -2.099 9.563 1.00 20.00 C ATOM 1058 O LYS A 58 -53.134 -1.187 9.360 1.00 20.00 O ATOM 1059 CB LYS A 58 -55.570 -0.409 10.495 1.00 20.00 C ATOM 1060 CG LYS A 58 -56.861 -0.167 11.268 1.00 20.00 C ATOM 1061 CD LYS A 58 -57.244 1.308 11.302 1.00 20.00 C ATOM 1062 CE LYS A 58 -57.520 1.853 9.909 1.00 20.00 C ATOM 1063 NZ LYS A 58 -57.915 3.286 9.938 1.00 20.00 N ATOM 0 H LYS A 58 -55.517 -3.141 12.088 1.00 20.00 H new ATOM 0 HA LYS A 58 -55.997 -2.437 10.023 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -54.767 0.171 10.951 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -55.690 -0.041 9.476 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -57.668 -0.740 10.812 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -56.746 -0.534 12.288 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -58.128 1.439 11.925 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -56.440 1.882 11.764 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -56.630 1.735 9.291 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -58.312 1.268 9.442 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -58.094 3.617 8.968 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -58.779 3.396 10.506 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -57.149 3.849 10.360 1.00 20.00 H new ATOM 1077 N GLU A 59 -53.829 -3.320 9.038 1.00 20.00 N ATOM 1078 CA GLU A 59 -52.631 -3.816 8.350 1.00 20.00 C ATOM 1079 C GLU A 59 -51.993 -2.789 7.409 1.00 20.00 C ATOM 1080 O GLU A 59 -52.538 -2.452 6.356 1.00 20.00 O ATOM 1081 CB GLU A 59 -52.964 -5.107 7.588 1.00 20.00 C ATOM 1082 CG GLU A 59 -54.138 -4.979 6.627 1.00 20.00 C ATOM 1083 CD GLU A 59 -54.501 -6.294 5.972 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -53.792 -6.716 5.036 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -55.504 -6.913 6.387 1.00 20.00 O ATOM 0 H GLU A 59 -54.584 -4.005 9.078 1.00 20.00 H new ATOM 0 HA GLU A 59 -51.889 -4.018 9.122 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -52.084 -5.423 7.028 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -53.183 -5.895 8.309 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -55.004 -4.595 7.166 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -53.893 -4.249 5.856 1.00 20.00 H new ATOM 1092 N ARG A 60 -50.835 -2.289 7.816 1.00 20.00 N ATOM 1093 CA ARG A 60 -50.057 -1.368 7.003 1.00 20.00 C ATOM 1094 C ARG A 60 -48.566 -1.614 7.247 1.00 20.00 C ATOM 1095 O ARG A 60 -47.723 -0.747 7.013 1.00 20.00 O ATOM 1096 CB ARG A 60 -50.429 0.078 7.349 1.00 20.00 C ATOM 1097 CG ARG A 60 -49.901 1.102 6.358 1.00 20.00 C ATOM 1098 CD ARG A 60 -50.162 2.521 6.832 1.00 20.00 C ATOM 1099 NE ARG A 60 -49.600 3.507 5.913 1.00 20.00 N ATOM 1100 CZ ARG A 60 -48.735 4.459 6.267 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -48.320 4.558 7.528 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -48.278 5.309 5.356 1.00 20.00 N ATOM 0 H ARG A 60 -50.410 -2.510 8.717 1.00 20.00 H new ATOM 0 HA ARG A 60 -50.276 -1.535 5.948 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -51.515 0.162 7.400 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -50.044 0.315 8.341 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -48.830 0.955 6.217 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -50.374 0.949 5.388 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -51.236 2.682 6.927 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -49.730 2.659 7.823 1.00 20.00 H new ATOM 0 HE ARG A 60 -49.888 3.465 4.935 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -48.663 3.903 8.231 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -47.659 5.288 7.791 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -48.588 5.234 4.387 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -47.617 6.038 5.625 1.00 20.00 H new ATOM 1116 N SER A 61 -48.251 -2.807 7.727 1.00 20.00 N ATOM 1117 CA SER A 61 -46.881 -3.147 8.082 1.00 20.00 C ATOM 1118 C SER A 61 -46.052 -3.418 6.832 1.00 20.00 C ATOM 1119 O SER A 61 -46.341 -4.343 6.074 1.00 20.00 O ATOM 1120 CB SER A 61 -46.869 -4.374 8.991 1.00 20.00 C ATOM 1121 OG SER A 61 -47.813 -4.232 10.039 1.00 20.00 O ATOM 0 H SER A 61 -48.926 -3.557 7.880 1.00 20.00 H new ATOM 0 HA SER A 61 -46.441 -2.302 8.612 1.00 20.00 H new ATOM 0 HB2 SER A 61 -47.097 -5.266 8.408 1.00 20.00 H new ATOM 0 HB3 SER A 61 -45.872 -4.513 9.409 1.00 20.00 H new ATOM 0 HG SER A 61 -47.791 -5.029 10.609 1.00 20.00 H new ATOM 1127 N LYS A 62 -45.033 -2.599 6.605 1.00 20.00 N ATOM 1128 CA LYS A 62 -44.144 -2.787 5.470 1.00 20.00 C ATOM 1129 C LYS A 62 -42.696 -2.775 5.928 1.00 20.00 C ATOM 1130 O LYS A 62 -41.788 -2.433 5.172 1.00 20.00 O ATOM 1131 CB LYS A 62 -44.380 -1.710 4.410 1.00 20.00 C ATOM 1132 CG LYS A 62 -45.729 -1.831 3.721 1.00 20.00 C ATOM 1133 CD LYS A 62 -45.883 -0.811 2.610 1.00 20.00 C ATOM 1134 CE LYS A 62 -47.199 -0.992 1.872 1.00 20.00 C ATOM 1135 NZ LYS A 62 -47.338 -0.038 0.743 1.00 20.00 N ATOM 0 H LYS A 62 -44.803 -1.798 7.193 1.00 20.00 H new ATOM 0 HA LYS A 62 -44.360 -3.757 5.022 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -44.305 -0.728 4.877 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -43.590 -1.768 3.661 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -45.840 -2.835 3.312 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -46.525 -1.695 4.453 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -45.833 0.195 3.027 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -45.054 -0.906 1.909 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -47.266 -2.013 1.495 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -48.027 -0.854 2.567 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -48.249 -0.195 0.266 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -47.300 0.936 1.105 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -46.563 -0.186 0.066 1.00 20.00 H new ATOM 1149 N GLN A 63 -42.496 -3.138 7.182 1.00 20.00 N ATOM 1150 CA GLN A 63 -41.165 -3.207 7.755 1.00 20.00 C ATOM 1151 C GLN A 63 -40.789 -4.662 7.992 1.00 20.00 C ATOM 1152 O GLN A 63 -40.420 -5.344 7.014 1.00 20.00 O ATOM 1153 CB GLN A 63 -41.092 -2.414 9.069 1.00 20.00 C ATOM 1154 CG GLN A 63 -41.059 -0.899 8.894 1.00 20.00 C ATOM 1155 CD GLN A 63 -42.350 -0.315 8.343 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -43.445 -0.829 8.590 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -42.229 0.763 7.584 1.00 20.00 N ATOM 1158 OXT GLN A 63 -40.877 -5.125 9.148 1.00 20.00 O ATOM 0 H GLN A 63 -43.245 -3.391 7.827 1.00 20.00 H new ATOM 0 HA GLN A 63 -40.458 -2.761 7.056 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -41.952 -2.677 9.685 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -40.201 -2.723 9.616 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -40.844 -0.436 9.857 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -40.239 -0.638 8.225 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -41.306 1.158 7.403 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -43.058 1.198 7.180 1.00 20.00 H new TER 1167 GLN A 63