USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 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 Set 1.1: A 19 ASN : amide:sc=-0.00282 K(o=-0.011,f=-1.3) USER MOD Set 1.2: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 22 ASN : amide:sc=-0.00817 K(o=-0.011,f=-1) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.636 K(o=-0.64,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 161:sc= -0.0988 (180deg=-0.591) USER MOD Single : A -4 LYS NZ :NH3+ -144:sc= -1.43 (180deg=-3.8!) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET N :NH3+ -175:sc= 0 (180deg=-0.0215) USER MOD Single : A 10 SER OG : rot 180:sc= 0.00749 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00865 USER MOD Single : A 17 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.3) USER MOD Single : A 20 SER OG : rot 28:sc= 1.26 USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.0168 (180deg=-0.245) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0361 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 49 MET CE :methyl 163:sc= 0 (180deg=-0.152) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -164:sc= -0.0393 (180deg=-0.286) 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 K(o=0,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -44.536 -8.241 -13.310 1.00 20.00 N ATOM 2 CA MET A -7 -45.228 -7.161 -14.052 1.00 20.00 C ATOM 3 C MET A -7 -46.724 -7.427 -14.089 1.00 20.00 C ATOM 4 O MET A -7 -47.169 -8.425 -14.657 1.00 20.00 O ATOM 5 CB MET A -7 -44.682 -7.047 -15.478 1.00 20.00 C ATOM 6 CG MET A -7 -43.253 -6.532 -15.547 1.00 20.00 C ATOM 7 SD MET A -7 -43.079 -4.875 -14.854 1.00 20.00 S ATOM 8 CE MET A -7 -41.319 -4.611 -15.059 1.00 20.00 C ATOM 0 H1 MET A -7 -43.527 -8.007 -13.217 1.00 20.00 H new ATOM 0 H2 MET A -7 -44.957 -8.337 -12.364 1.00 20.00 H new ATOM 0 H3 MET A -7 -44.637 -9.138 -13.827 1.00 20.00 H new ATOM 0 HA MET A -7 -45.045 -6.219 -13.535 1.00 20.00 H new ATOM 0 HB2 MET A -7 -44.729 -8.026 -15.955 1.00 20.00 H new ATOM 0 HB3 MET A -7 -45.327 -6.381 -16.052 1.00 20.00 H new ATOM 0 HG2 MET A -7 -42.597 -7.217 -15.010 1.00 20.00 H new ATOM 0 HG3 MET A -7 -42.923 -6.524 -16.586 1.00 20.00 H new ATOM 0 HE1 MET A -7 -41.052 -3.626 -14.677 1.00 20.00 H new ATOM 0 HE2 MET A -7 -40.770 -5.375 -14.508 1.00 20.00 H new ATOM 0 HE3 MET A -7 -41.063 -4.671 -16.117 1.00 20.00 H new ATOM 20 N ASP A -6 -47.490 -6.527 -13.487 1.00 20.00 N ATOM 21 CA ASP A -6 -48.929 -6.714 -13.339 1.00 20.00 C ATOM 22 C ASP A -6 -49.692 -5.467 -13.774 1.00 20.00 C ATOM 23 O ASP A -6 -49.087 -4.426 -14.047 1.00 20.00 O ATOM 24 CB ASP A -6 -49.271 -7.054 -11.886 1.00 20.00 C ATOM 25 CG ASP A -6 -49.000 -5.907 -10.928 1.00 20.00 C ATOM 26 OD1 ASP A -6 -47.816 -5.563 -10.718 1.00 20.00 O ATOM 27 OD2 ASP A -6 -49.968 -5.346 -10.382 1.00 20.00 O ATOM 0 H ASP A -6 -47.137 -5.656 -13.091 1.00 20.00 H new ATOM 0 HA ASP A -6 -49.230 -7.541 -13.982 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -50.323 -7.333 -11.822 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -48.691 -7.924 -11.576 1.00 20.00 H new ATOM 32 N TYR A -5 -51.020 -5.597 -13.841 1.00 20.00 N ATOM 33 CA TYR A -5 -51.921 -4.516 -14.259 1.00 20.00 C ATOM 34 C TYR A -5 -51.718 -4.127 -15.720 1.00 20.00 C ATOM 35 O TYR A -5 -50.681 -4.401 -16.323 1.00 20.00 O ATOM 36 CB TYR A -5 -51.782 -3.285 -13.358 1.00 20.00 C ATOM 37 CG TYR A -5 -52.588 -3.383 -12.079 1.00 20.00 C ATOM 38 CD1 TYR A -5 -53.920 -3.779 -12.109 1.00 20.00 C ATOM 39 CD2 TYR A -5 -52.021 -3.088 -10.847 1.00 20.00 C ATOM 40 CE1 TYR A -5 -54.662 -3.874 -10.950 1.00 20.00 C ATOM 41 CE2 TYR A -5 -52.759 -3.183 -9.682 1.00 20.00 C ATOM 42 CZ TYR A -5 -54.079 -3.577 -9.739 1.00 20.00 C ATOM 43 OH TYR A -5 -54.819 -3.676 -8.583 1.00 20.00 O ATOM 0 H TYR A -5 -51.505 -6.462 -13.605 1.00 20.00 H new ATOM 0 HA TYR A -5 -52.934 -4.906 -14.156 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -50.731 -3.144 -13.107 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -52.098 -2.401 -13.912 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -54.382 -4.016 -13.056 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -50.987 -2.779 -10.798 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -55.697 -4.180 -10.993 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -52.303 -2.950 -8.731 1.00 20.00 H new ATOM 0 HH TYR A -5 -54.260 -3.433 -7.815 1.00 20.00 H new ATOM 53 N LYS A -4 -52.733 -3.494 -16.288 1.00 20.00 N ATOM 54 CA LYS A -4 -52.703 -3.103 -17.688 1.00 20.00 C ATOM 55 C LYS A -4 -52.479 -1.605 -17.825 1.00 20.00 C ATOM 56 O LYS A -4 -52.001 -1.146 -18.863 1.00 20.00 O ATOM 57 CB LYS A -4 -54.007 -3.511 -18.379 1.00 20.00 C ATOM 58 CG LYS A -4 -55.262 -2.991 -17.688 1.00 20.00 C ATOM 59 CD LYS A -4 -56.537 -3.416 -18.406 1.00 20.00 C ATOM 60 CE LYS A -4 -56.899 -4.880 -18.154 1.00 20.00 C ATOM 61 NZ LYS A -4 -55.982 -5.835 -18.836 1.00 20.00 N ATOM 0 H LYS A -4 -53.591 -3.240 -15.798 1.00 20.00 H new ATOM 0 HA LYS A -4 -51.873 -3.618 -18.171 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -53.992 -3.146 -19.406 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -54.056 -4.599 -18.428 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -55.287 -3.357 -16.662 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -55.222 -1.903 -17.638 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -57.361 -2.781 -18.080 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -56.416 -3.256 -19.477 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -56.882 -5.073 -17.081 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -57.919 -5.059 -18.494 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -56.522 -6.662 -19.162 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -55.538 -5.367 -19.652 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -55.245 -6.144 -18.171 1.00 20.00 H new ATOM 75 N ASP A -3 -52.800 -0.860 -16.768 1.00 20.00 N ATOM 76 CA ASP A -3 -52.581 0.586 -16.728 1.00 20.00 C ATOM 77 C ASP A -3 -53.141 1.263 -17.975 1.00 20.00 C ATOM 78 O ASP A -3 -52.392 1.607 -18.892 1.00 20.00 O ATOM 79 CB ASP A -3 -51.089 0.911 -16.589 1.00 20.00 C ATOM 80 CG ASP A -3 -50.486 0.377 -15.308 1.00 20.00 C ATOM 81 OD1 ASP A -3 -50.834 0.891 -14.222 1.00 20.00 O ATOM 82 OD2 ASP A -3 -49.653 -0.553 -15.380 1.00 20.00 O ATOM 0 H ASP A -3 -53.218 -1.239 -15.918 1.00 20.00 H new ATOM 0 HA ASP A -3 -53.109 0.971 -15.855 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -50.551 0.493 -17.440 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -50.953 1.992 -16.626 1.00 20.00 H new ATOM 87 N ASP A -2 -54.457 1.429 -18.014 1.00 20.00 N ATOM 88 CA ASP A -2 -55.113 2.082 -19.146 1.00 20.00 C ATOM 89 C ASP A -2 -54.644 3.520 -19.275 1.00 20.00 C ATOM 90 O ASP A -2 -54.076 3.904 -20.303 1.00 20.00 O ATOM 91 CB ASP A -2 -56.637 2.047 -19.004 1.00 20.00 C ATOM 92 CG ASP A -2 -57.221 0.677 -19.276 1.00 20.00 C ATOM 93 OD1 ASP A -2 -57.201 0.239 -20.445 1.00 20.00 O ATOM 94 OD2 ASP A -2 -57.722 0.038 -18.328 1.00 20.00 O ATOM 0 H ASP A -2 -55.092 1.122 -17.278 1.00 20.00 H new ATOM 0 HA ASP A -2 -54.839 1.532 -20.046 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -56.911 2.360 -17.996 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -57.078 2.768 -19.692 1.00 20.00 H new ATOM 99 N ASP A -1 -54.887 4.304 -18.228 1.00 20.00 N ATOM 100 CA ASP A -1 -54.467 5.704 -18.179 1.00 20.00 C ATOM 101 C ASP A -1 -55.095 6.491 -19.338 1.00 20.00 C ATOM 102 O ASP A -1 -56.027 6.012 -19.991 1.00 20.00 O ATOM 103 CB ASP A -1 -52.933 5.791 -18.222 1.00 20.00 C ATOM 104 CG ASP A -1 -52.381 7.058 -17.595 1.00 20.00 C ATOM 105 OD1 ASP A -1 -52.368 8.107 -18.270 1.00 20.00 O ATOM 106 OD2 ASP A -1 -51.936 7.003 -16.428 1.00 20.00 O ATOM 0 H ASP A -1 -55.379 3.989 -17.392 1.00 20.00 H new ATOM 0 HA ASP A -1 -54.812 6.148 -17.245 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -52.513 4.927 -17.706 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -52.603 5.735 -19.259 1.00 20.00 H new ATOM 111 N ASP A 0 -54.598 7.690 -19.595 1.00 20.00 N ATOM 112 CA ASP A 0 -55.122 8.515 -20.679 1.00 20.00 C ATOM 113 C ASP A 0 -54.580 8.053 -22.022 1.00 20.00 C ATOM 114 O ASP A 0 -55.330 7.574 -22.872 1.00 20.00 O ATOM 115 CB ASP A 0 -54.785 9.991 -20.455 1.00 20.00 C ATOM 116 CG ASP A 0 -55.728 10.665 -19.481 1.00 20.00 C ATOM 117 OD1 ASP A 0 -55.591 10.446 -18.255 1.00 20.00 O ATOM 118 OD2 ASP A 0 -56.615 11.421 -19.935 1.00 20.00 O ATOM 0 H ASP A 0 -53.834 8.116 -19.071 1.00 20.00 H new ATOM 0 HA ASP A 0 -56.206 8.405 -20.685 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -53.764 10.074 -20.082 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -54.819 10.516 -21.410 1.00 20.00 H new ATOM 123 N LYS A 1 -53.278 8.187 -22.209 1.00 20.00 N ATOM 124 CA LYS A 1 -52.642 7.774 -23.450 1.00 20.00 C ATOM 125 C LYS A 1 -52.161 6.336 -23.329 1.00 20.00 C ATOM 126 O LYS A 1 -52.613 5.446 -24.054 1.00 20.00 O ATOM 127 CB LYS A 1 -51.454 8.688 -23.775 1.00 20.00 C ATOM 128 CG LYS A 1 -51.821 10.161 -23.899 1.00 20.00 C ATOM 129 CD LYS A 1 -50.591 11.031 -24.119 1.00 20.00 C ATOM 130 CE LYS A 1 -49.633 10.974 -22.934 1.00 20.00 C ATOM 131 NZ LYS A 1 -48.445 11.849 -23.127 1.00 20.00 N ATOM 0 H LYS A 1 -52.639 8.579 -21.517 1.00 20.00 H new ATOM 0 HA LYS A 1 -53.372 7.847 -24.256 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -50.699 8.577 -22.996 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -50.999 8.358 -24.709 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -52.515 10.295 -24.729 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -52.339 10.484 -22.996 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -50.073 10.705 -25.021 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -50.901 12.063 -24.285 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -50.160 11.275 -22.029 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -49.304 9.946 -22.785 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -47.823 11.778 -22.297 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -47.926 11.547 -23.976 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -48.755 12.835 -23.243 1.00 20.00 H new ATOM 145 N ASN A 2 -51.264 6.118 -22.381 1.00 20.00 N ATOM 146 CA ASN A 2 -50.705 4.798 -22.131 1.00 20.00 C ATOM 147 C ASN A 2 -50.405 4.649 -20.650 1.00 20.00 C ATOM 148 O ASN A 2 -50.805 3.674 -20.018 1.00 20.00 O ATOM 149 CB ASN A 2 -49.422 4.589 -22.940 1.00 20.00 C ATOM 150 CG ASN A 2 -48.816 3.209 -22.746 1.00 20.00 C ATOM 151 OD1 ASN A 2 -47.594 3.059 -22.714 1.00 20.00 O ATOM 152 ND2 ASN A 2 -49.658 2.193 -22.640 1.00 20.00 N ATOM 0 H ASN A 2 -50.904 6.847 -21.765 1.00 20.00 H new ATOM 0 HA ASN A 2 -51.433 4.047 -22.438 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -49.637 4.740 -23.998 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -48.691 5.345 -22.653 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -49.301 1.244 -22.527 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -50.664 2.359 -22.671 1.00 20.00 H new ATOM 159 N ARG A 3 -49.691 5.628 -20.111 1.00 20.00 N ATOM 160 CA ARG A 3 -49.405 5.688 -18.685 1.00 20.00 C ATOM 161 C ARG A 3 -48.720 7.005 -18.342 1.00 20.00 C ATOM 162 O ARG A 3 -47.812 7.448 -19.047 1.00 20.00 O ATOM 163 CB ARG A 3 -48.536 4.499 -18.238 1.00 20.00 C ATOM 164 CG ARG A 3 -47.194 4.400 -18.946 1.00 20.00 C ATOM 165 CD ARG A 3 -46.422 3.170 -18.493 1.00 20.00 C ATOM 166 NE ARG A 3 -45.107 3.081 -19.125 1.00 20.00 N ATOM 167 CZ ARG A 3 -44.415 1.949 -19.250 1.00 20.00 C ATOM 168 NH1 ARG A 3 -44.902 0.806 -18.780 1.00 20.00 N ATOM 169 NH2 ARG A 3 -43.226 1.964 -19.840 1.00 20.00 N ATOM 0 H ARG A 3 -49.295 6.400 -20.648 1.00 20.00 H new ATOM 0 HA ARG A 3 -50.352 5.629 -18.148 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -48.362 4.575 -17.165 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -49.091 3.576 -18.406 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -47.351 4.357 -20.024 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -46.607 5.296 -18.744 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -46.302 3.197 -17.410 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -46.998 2.275 -18.728 1.00 20.00 H new ATOM 0 HE ARG A 3 -44.694 3.938 -19.493 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -45.812 0.790 -18.319 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -44.366 -0.056 -18.880 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -42.844 2.840 -20.196 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -42.694 1.099 -19.937 1.00 20.00 H new ATOM 183 N ALA A 4 -49.194 7.651 -17.286 1.00 20.00 N ATOM 184 CA ALA A 4 -48.571 8.869 -16.792 1.00 20.00 C ATOM 185 C ALA A 4 -47.460 8.523 -15.811 1.00 20.00 C ATOM 186 O ALA A 4 -46.650 9.384 -15.457 1.00 20.00 O ATOM 187 CB ALA A 4 -49.610 9.761 -16.126 1.00 20.00 C ATOM 0 H ALA A 4 -50.011 7.350 -16.754 1.00 20.00 H new ATOM 0 HA ALA A 4 -48.140 9.412 -17.633 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -49.130 10.669 -15.761 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -50.381 10.024 -16.850 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -50.064 9.229 -15.290 1.00 20.00 H new ATOM 193 N LEU A 5 -47.440 7.256 -15.391 1.00 20.00 N ATOM 194 CA LEU A 5 -46.379 6.701 -14.549 1.00 20.00 C ATOM 195 C LEU A 5 -46.047 7.625 -13.382 1.00 20.00 C ATOM 196 O LEU A 5 -45.018 8.308 -13.383 1.00 20.00 O ATOM 197 CB LEU A 5 -45.121 6.430 -15.380 1.00 20.00 C ATOM 198 CG LEU A 5 -44.020 5.641 -14.660 1.00 20.00 C ATOM 199 CD1 LEU A 5 -44.431 4.192 -14.456 1.00 20.00 C ATOM 200 CD2 LEU A 5 -42.714 5.717 -15.432 1.00 20.00 C ATOM 0 H LEU A 5 -48.167 6.581 -15.628 1.00 20.00 H new ATOM 0 HA LEU A 5 -46.745 5.760 -14.138 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -45.409 5.884 -16.278 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -44.708 7.384 -15.706 1.00 20.00 H new ATOM 0 HG LEU A 5 -43.871 6.093 -13.680 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -43.632 3.656 -13.944 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -45.339 4.153 -13.854 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -44.617 3.727 -15.424 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -41.946 5.151 -14.905 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -42.855 5.297 -16.428 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -42.402 6.758 -15.518 1.00 20.00 H new ATOM 212 N SER A 6 -46.929 7.649 -12.399 1.00 20.00 N ATOM 213 CA SER A 6 -46.723 8.448 -11.208 1.00 20.00 C ATOM 214 C SER A 6 -45.755 7.742 -10.262 1.00 20.00 C ATOM 215 O SER A 6 -46.077 6.692 -9.703 1.00 20.00 O ATOM 216 CB SER A 6 -48.060 8.706 -10.512 1.00 20.00 C ATOM 217 OG SER A 6 -48.965 9.366 -11.386 1.00 20.00 O ATOM 0 H SER A 6 -47.801 7.119 -12.404 1.00 20.00 H new ATOM 0 HA SER A 6 -46.290 9.406 -11.495 1.00 20.00 H new ATOM 0 HB2 SER A 6 -48.491 7.761 -10.181 1.00 20.00 H new ATOM 0 HB3 SER A 6 -47.900 9.313 -9.621 1.00 20.00 H new ATOM 0 HG SER A 6 -49.814 9.520 -10.922 1.00 20.00 H new ATOM 223 N PRO A 7 -44.548 8.299 -10.087 1.00 20.00 N ATOM 224 CA PRO A 7 -43.515 7.679 -9.262 1.00 20.00 C ATOM 225 C PRO A 7 -43.817 7.792 -7.771 1.00 20.00 C ATOM 226 O PRO A 7 -43.967 8.892 -7.233 1.00 20.00 O ATOM 227 CB PRO A 7 -42.250 8.463 -9.622 1.00 20.00 C ATOM 228 CG PRO A 7 -42.737 9.797 -10.076 1.00 20.00 C ATOM 229 CD PRO A 7 -44.098 9.573 -10.680 1.00 20.00 C ATOM 0 HA PRO A 7 -43.431 6.609 -9.450 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -41.586 8.557 -8.762 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -41.685 7.961 -10.408 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -42.794 10.494 -9.240 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -42.055 10.231 -10.807 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -44.780 10.388 -10.439 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -44.047 9.511 -11.767 1.00 20.00 H new ATOM 237 N MET A 8 -43.932 6.650 -7.115 1.00 20.00 N ATOM 238 CA MET A 8 -44.126 6.609 -5.677 1.00 20.00 C ATOM 239 C MET A 8 -43.026 5.762 -5.050 1.00 20.00 C ATOM 240 O MET A 8 -43.238 4.603 -4.691 1.00 20.00 O ATOM 241 CB MET A 8 -45.510 6.047 -5.329 1.00 20.00 C ATOM 242 CG MET A 8 -45.812 6.053 -3.838 1.00 20.00 C ATOM 243 SD MET A 8 -47.463 5.437 -3.454 1.00 20.00 S ATOM 244 CE MET A 8 -47.373 3.768 -4.101 1.00 20.00 C ATOM 0 H MET A 8 -43.894 5.733 -7.560 1.00 20.00 H new ATOM 0 HA MET A 8 -44.073 7.622 -5.278 1.00 20.00 H new ATOM 0 HB2 MET A 8 -46.271 6.630 -5.848 1.00 20.00 H new ATOM 0 HB3 MET A 8 -45.582 5.025 -5.702 1.00 20.00 H new ATOM 0 HG2 MET A 8 -45.072 5.442 -3.320 1.00 20.00 H new ATOM 0 HG3 MET A 8 -45.711 7.069 -3.456 1.00 20.00 H new ATOM 0 HE1 MET A 8 -48.162 3.162 -3.655 1.00 20.00 H new ATOM 0 HE2 MET A 8 -47.500 3.790 -5.183 1.00 20.00 H new ATOM 0 HE3 MET A 8 -46.402 3.336 -3.859 1.00 20.00 H new ATOM 254 N VAL A 9 -41.846 6.345 -4.946 1.00 20.00 N ATOM 255 CA VAL A 9 -40.683 5.634 -4.452 1.00 20.00 C ATOM 256 C VAL A 9 -40.124 6.320 -3.208 1.00 20.00 C ATOM 257 O VAL A 9 -39.889 7.529 -3.202 1.00 20.00 O ATOM 258 CB VAL A 9 -39.592 5.516 -5.549 1.00 20.00 C ATOM 259 CG1 VAL A 9 -39.224 6.880 -6.118 1.00 20.00 C ATOM 260 CG2 VAL A 9 -38.354 4.809 -5.019 1.00 20.00 C ATOM 0 H VAL A 9 -41.668 7.317 -5.199 1.00 20.00 H new ATOM 0 HA VAL A 9 -40.995 4.626 -4.180 1.00 20.00 H new ATOM 0 HB VAL A 9 -40.010 4.915 -6.357 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -38.457 6.760 -6.884 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -40.108 7.341 -6.559 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -38.843 7.517 -5.319 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -37.607 4.741 -5.810 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -37.944 5.372 -4.180 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -38.622 3.806 -4.686 1.00 20.00 H new ATOM 270 N SER A 10 -39.943 5.547 -2.150 1.00 20.00 N ATOM 271 CA SER A 10 -39.438 6.073 -0.893 1.00 20.00 C ATOM 272 C SER A 10 -37.913 5.989 -0.850 1.00 20.00 C ATOM 273 O SER A 10 -37.312 5.129 -1.497 1.00 20.00 O ATOM 274 CB SER A 10 -40.055 5.292 0.272 1.00 20.00 C ATOM 275 OG SER A 10 -39.901 3.894 0.085 1.00 20.00 O ATOM 0 H SER A 10 -40.140 4.546 -2.137 1.00 20.00 H new ATOM 0 HA SER A 10 -39.719 7.123 -0.806 1.00 20.00 H new ATOM 0 HB2 SER A 10 -39.581 5.592 1.207 1.00 20.00 H new ATOM 0 HB3 SER A 10 -41.114 5.537 0.358 1.00 20.00 H new ATOM 0 HG SER A 10 -40.301 3.417 0.842 1.00 20.00 H new ATOM 281 N GLU A 11 -37.293 6.883 -0.085 1.00 20.00 N ATOM 282 CA GLU A 11 -35.838 6.918 0.042 1.00 20.00 C ATOM 283 C GLU A 11 -35.337 5.811 0.968 1.00 20.00 C ATOM 284 O GLU A 11 -34.462 6.029 1.806 1.00 20.00 O ATOM 285 CB GLU A 11 -35.382 8.277 0.573 1.00 20.00 C ATOM 286 CG GLU A 11 -35.849 9.453 -0.267 1.00 20.00 C ATOM 287 CD GLU A 11 -35.529 9.287 -1.737 1.00 20.00 C ATOM 288 OE1 GLU A 11 -34.339 9.116 -2.078 1.00 20.00 O ATOM 289 OE2 GLU A 11 -36.466 9.333 -2.560 1.00 20.00 O ATOM 0 H GLU A 11 -37.778 7.597 0.459 1.00 20.00 H new ATOM 0 HA GLU A 11 -35.415 6.757 -0.950 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -35.751 8.401 1.591 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -34.293 8.289 0.625 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -36.925 9.576 -0.146 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -35.381 10.366 0.101 1.00 20.00 H new ATOM 296 N PHE A 12 -35.889 4.625 0.800 1.00 20.00 N ATOM 297 CA PHE A 12 -35.529 3.477 1.617 1.00 20.00 C ATOM 298 C PHE A 12 -34.404 2.698 0.943 1.00 20.00 C ATOM 299 O PHE A 12 -33.807 1.799 1.536 1.00 20.00 O ATOM 300 CB PHE A 12 -36.769 2.596 1.830 1.00 20.00 C ATOM 301 CG PHE A 12 -36.595 1.485 2.833 1.00 20.00 C ATOM 302 CD1 PHE A 12 -35.964 1.716 4.045 1.00 20.00 C ATOM 303 CD2 PHE A 12 -37.071 0.209 2.567 1.00 20.00 C ATOM 304 CE1 PHE A 12 -35.810 0.699 4.968 1.00 20.00 C ATOM 305 CE2 PHE A 12 -36.921 -0.810 3.487 1.00 20.00 C ATOM 306 CZ PHE A 12 -36.289 -0.565 4.689 1.00 20.00 C ATOM 0 H PHE A 12 -36.599 4.428 0.095 1.00 20.00 H new ATOM 0 HA PHE A 12 -35.171 3.809 2.592 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -37.596 3.230 2.152 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -37.055 2.160 0.873 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -35.588 2.703 4.271 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -37.566 0.010 1.628 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -35.315 0.893 5.908 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -37.298 -1.798 3.266 1.00 20.00 H new ATOM 0 HZ PHE A 12 -36.169 -1.360 5.410 1.00 20.00 H new ATOM 316 N GLU A 13 -34.109 3.082 -0.296 1.00 20.00 N ATOM 317 CA GLU A 13 -33.066 2.436 -1.091 1.00 20.00 C ATOM 318 C GLU A 13 -31.718 2.482 -0.379 1.00 20.00 C ATOM 319 O GLU A 13 -30.953 1.519 -0.422 1.00 20.00 O ATOM 320 CB GLU A 13 -32.955 3.105 -2.466 1.00 20.00 C ATOM 321 CG GLU A 13 -31.870 2.511 -3.350 1.00 20.00 C ATOM 322 CD GLU A 13 -31.809 3.161 -4.716 1.00 20.00 C ATOM 323 OE1 GLU A 13 -31.100 4.177 -4.866 1.00 20.00 O ATOM 324 OE2 GLU A 13 -32.473 2.662 -5.647 1.00 20.00 O ATOM 0 H GLU A 13 -34.583 3.846 -0.777 1.00 20.00 H new ATOM 0 HA GLU A 13 -33.345 1.391 -1.222 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -33.914 3.023 -2.978 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -32.757 4.168 -2.328 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -30.904 2.621 -2.856 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -32.048 1.442 -3.468 1.00 20.00 H new ATOM 331 N THR A 14 -31.444 3.598 0.285 1.00 20.00 N ATOM 332 CA THR A 14 -30.193 3.774 1.007 1.00 20.00 C ATOM 333 C THR A 14 -30.056 2.739 2.116 1.00 20.00 C ATOM 334 O THR A 14 -29.073 2.000 2.173 1.00 20.00 O ATOM 335 CB THR A 14 -30.108 5.184 1.612 1.00 20.00 C ATOM 336 OG1 THR A 14 -31.380 5.543 2.166 1.00 20.00 O ATOM 337 CG2 THR A 14 -29.694 6.206 0.566 1.00 20.00 C ATOM 0 H THR A 14 -32.075 4.397 0.338 1.00 20.00 H new ATOM 0 HA THR A 14 -29.379 3.641 0.294 1.00 20.00 H new ATOM 0 HB THR A 14 -29.351 5.178 2.397 1.00 20.00 H new ATOM 0 HG1 THR A 14 -31.326 6.442 2.553 1.00 20.00 H new ATOM 0 HG21 THR A 14 -29.642 7.194 1.023 1.00 20.00 H new ATOM 0 HG22 THR A 14 -28.716 5.940 0.165 1.00 20.00 H new ATOM 0 HG23 THR A 14 -30.426 6.218 -0.241 1.00 20.00 H new ATOM 345 N ILE A 15 -31.062 2.678 2.981 1.00 20.00 N ATOM 346 CA ILE A 15 -31.071 1.724 4.076 1.00 20.00 C ATOM 347 C ILE A 15 -31.003 0.298 3.549 1.00 20.00 C ATOM 348 O ILE A 15 -30.255 -0.522 4.069 1.00 20.00 O ATOM 349 CB ILE A 15 -32.321 1.888 4.968 1.00 20.00 C ATOM 350 CG1 ILE A 15 -32.380 3.306 5.546 1.00 20.00 C ATOM 351 CG2 ILE A 15 -32.312 0.856 6.088 1.00 20.00 C ATOM 352 CD1 ILE A 15 -33.583 3.559 6.427 1.00 20.00 C ATOM 0 H ILE A 15 -31.883 3.282 2.942 1.00 20.00 H new ATOM 0 HA ILE A 15 -30.189 1.926 4.684 1.00 20.00 H new ATOM 0 HB ILE A 15 -33.209 1.726 4.357 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -31.474 3.491 6.123 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -32.386 4.023 4.725 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -33.199 0.984 6.708 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -32.311 -0.146 5.659 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -31.420 0.990 6.699 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -33.554 4.584 6.798 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -34.495 3.408 5.850 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -33.569 2.868 7.270 1.00 20.00 H new ATOM 364 N GLU A 16 -31.762 0.014 2.497 1.00 20.00 N ATOM 365 CA GLU A 16 -31.757 -1.314 1.896 1.00 20.00 C ATOM 366 C GLU A 16 -30.386 -1.656 1.328 1.00 20.00 C ATOM 367 O GLU A 16 -29.974 -2.815 1.335 1.00 20.00 O ATOM 368 CB GLU A 16 -32.806 -1.426 0.793 1.00 20.00 C ATOM 369 CG GLU A 16 -34.236 -1.388 1.292 1.00 20.00 C ATOM 370 CD GLU A 16 -35.195 -2.052 0.331 1.00 20.00 C ATOM 371 OE1 GLU A 16 -35.667 -1.383 -0.617 1.00 20.00 O ATOM 372 OE2 GLU A 16 -35.478 -3.254 0.515 1.00 20.00 O ATOM 0 H GLU A 16 -32.386 0.682 2.044 1.00 20.00 H new ATOM 0 HA GLU A 16 -32.000 -2.024 2.687 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.659 -0.612 0.083 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -32.647 -2.357 0.249 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -34.294 -1.884 2.261 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -34.538 -0.352 1.446 1.00 20.00 H new ATOM 379 N GLN A 17 -29.686 -0.647 0.829 1.00 20.00 N ATOM 380 CA GLN A 17 -28.354 -0.840 0.278 1.00 20.00 C ATOM 381 C GLN A 17 -27.366 -1.164 1.393 1.00 20.00 C ATOM 382 O GLN A 17 -26.454 -1.974 1.218 1.00 20.00 O ATOM 383 CB GLN A 17 -27.902 0.412 -0.480 1.00 20.00 C ATOM 384 CG GLN A 17 -26.603 0.229 -1.245 1.00 20.00 C ATOM 385 CD GLN A 17 -26.709 -0.846 -2.310 1.00 20.00 C ATOM 386 OE1 GLN A 17 -26.428 -2.017 -2.058 1.00 20.00 O ATOM 387 NE2 GLN A 17 -27.120 -0.459 -3.506 1.00 20.00 N ATOM 0 H GLN A 17 -30.020 0.316 0.795 1.00 20.00 H new ATOM 0 HA GLN A 17 -28.385 -1.677 -0.420 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -28.686 0.706 -1.178 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -27.783 1.232 0.229 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -26.323 1.173 -1.712 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -25.807 -0.031 -0.548 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -27.344 0.522 -3.676 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -27.213 -1.141 -4.259 1.00 20.00 H new ATOM 396 N GLU A 18 -27.569 -0.543 2.547 1.00 20.00 N ATOM 397 CA GLU A 18 -26.690 -0.749 3.689 1.00 20.00 C ATOM 398 C GLU A 18 -27.052 -2.044 4.414 1.00 20.00 C ATOM 399 O GLU A 18 -26.180 -2.780 4.868 1.00 20.00 O ATOM 400 CB GLU A 18 -26.778 0.436 4.659 1.00 20.00 C ATOM 401 CG GLU A 18 -26.540 1.793 4.008 1.00 20.00 C ATOM 402 CD GLU A 18 -25.216 1.880 3.277 1.00 20.00 C ATOM 403 OE1 GLU A 18 -25.173 1.563 2.071 1.00 20.00 O ATOM 404 OE2 GLU A 18 -24.216 2.283 3.900 1.00 20.00 O ATOM 0 H GLU A 18 -28.336 0.108 2.717 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.667 -0.825 3.322 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.763 0.437 5.126 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -26.048 0.294 5.456 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -27.349 1.999 3.307 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -26.576 2.568 4.774 1.00 20.00 H new ATOM 411 N ASN A 19 -28.349 -2.318 4.501 1.00 20.00 N ATOM 412 CA ASN A 19 -28.861 -3.519 5.166 1.00 20.00 C ATOM 413 C ASN A 19 -28.591 -4.755 4.311 1.00 20.00 C ATOM 414 O ASN A 19 -28.679 -5.889 4.782 1.00 20.00 O ATOM 415 CB ASN A 19 -30.366 -3.383 5.424 1.00 20.00 C ATOM 416 CG ASN A 19 -30.906 -4.459 6.350 1.00 20.00 C ATOM 417 OD1 ASN A 19 -30.207 -4.932 7.246 1.00 20.00 O ATOM 418 ND2 ASN A 19 -32.156 -4.851 6.142 1.00 20.00 N ATOM 0 H ASN A 19 -29.077 -1.717 4.114 1.00 20.00 H new ATOM 0 HA ASN A 19 -28.347 -3.631 6.121 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.568 -2.403 5.857 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -30.898 -3.428 4.474 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -32.571 -5.569 6.736 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -32.703 -4.434 5.388 1.00 20.00 H new ATOM 425 N SER A 20 -28.252 -4.514 3.051 1.00 20.00 N ATOM 426 CA SER A 20 -27.990 -5.578 2.089 1.00 20.00 C ATOM 427 C SER A 20 -26.832 -6.474 2.541 1.00 20.00 C ATOM 428 O SER A 20 -26.691 -7.596 2.061 1.00 20.00 O ATOM 429 CB SER A 20 -27.683 -4.964 0.716 1.00 20.00 C ATOM 430 OG SER A 20 -27.543 -5.954 -0.289 1.00 20.00 O ATOM 0 H SER A 20 -28.151 -3.575 2.666 1.00 20.00 H new ATOM 0 HA SER A 20 -28.880 -6.203 2.020 1.00 20.00 H new ATOM 0 HB2 SER A 20 -28.483 -4.277 0.439 1.00 20.00 H new ATOM 0 HB3 SER A 20 -26.766 -4.378 0.778 1.00 20.00 H new ATOM 0 HG SER A 20 -28.078 -6.740 -0.051 1.00 20.00 H new ATOM 436 N TYR A 21 -26.025 -5.984 3.486 1.00 20.00 N ATOM 437 CA TYR A 21 -24.854 -6.719 3.970 1.00 20.00 C ATOM 438 C TYR A 21 -25.237 -8.112 4.475 1.00 20.00 C ATOM 439 O TYR A 21 -24.426 -9.039 4.430 1.00 20.00 O ATOM 440 CB TYR A 21 -24.137 -5.932 5.080 1.00 20.00 C ATOM 441 CG TYR A 21 -24.863 -5.902 6.414 1.00 20.00 C ATOM 442 CD1 TYR A 21 -26.001 -5.130 6.592 1.00 20.00 C ATOM 443 CD2 TYR A 21 -24.398 -6.640 7.498 1.00 20.00 C ATOM 444 CE1 TYR A 21 -26.658 -5.091 7.805 1.00 20.00 C ATOM 445 CE2 TYR A 21 -25.053 -6.606 8.715 1.00 20.00 C ATOM 446 CZ TYR A 21 -26.182 -5.830 8.863 1.00 20.00 C ATOM 447 OH TYR A 21 -26.837 -5.789 10.072 1.00 20.00 O ATOM 0 H TYR A 21 -26.162 -5.077 3.933 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.173 -6.840 3.128 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.148 -6.364 5.231 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -23.988 -4.907 4.741 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -26.381 -4.548 5.765 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.512 -7.248 7.387 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -27.542 -4.483 7.923 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -24.681 -7.186 9.547 1.00 20.00 H new ATOM 0 HH TYR A 21 -26.375 -6.367 10.714 1.00 20.00 H new ATOM 457 N ASN A 22 -26.481 -8.253 4.934 1.00 20.00 N ATOM 458 CA ASN A 22 -26.984 -9.531 5.444 1.00 20.00 C ATOM 459 C ASN A 22 -26.976 -10.602 4.361 1.00 20.00 C ATOM 460 O ASN A 22 -26.831 -11.789 4.652 1.00 20.00 O ATOM 461 CB ASN A 22 -28.407 -9.379 5.988 1.00 20.00 C ATOM 462 CG ASN A 22 -28.464 -8.612 7.294 1.00 20.00 C ATOM 463 OD1 ASN A 22 -27.538 -8.661 8.101 1.00 20.00 O ATOM 464 ND2 ASN A 22 -29.556 -7.898 7.513 1.00 20.00 N ATOM 0 H ASN A 22 -27.162 -7.495 4.963 1.00 20.00 H new ATOM 0 HA ASN A 22 -26.318 -9.839 6.250 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -29.021 -8.868 5.246 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -28.841 -10.368 6.135 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -29.651 -7.363 8.376 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -30.303 -7.883 6.819 1.00 20.00 H new ATOM 471 N GLU A 23 -27.116 -10.181 3.111 1.00 20.00 N ATOM 472 CA GLU A 23 -27.171 -11.111 1.991 1.00 20.00 C ATOM 473 C GLU A 23 -25.855 -11.868 1.848 1.00 20.00 C ATOM 474 O GLU A 23 -25.845 -13.053 1.522 1.00 20.00 O ATOM 475 CB GLU A 23 -27.517 -10.367 0.697 1.00 20.00 C ATOM 476 CG GLU A 23 -28.924 -9.785 0.699 1.00 20.00 C ATOM 477 CD GLU A 23 -29.223 -8.953 -0.529 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.278 -9.515 -1.642 1.00 20.00 O ATOM 479 OE2 GLU A 23 -29.423 -7.728 -0.392 1.00 20.00 O ATOM 0 H GLU A 23 -27.194 -9.199 2.847 1.00 20.00 H new ATOM 0 HA GLU A 23 -27.956 -11.841 2.188 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -26.798 -9.562 0.545 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.414 -11.050 -0.146 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -29.647 -10.598 0.765 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -29.055 -9.169 1.589 1.00 20.00 H new ATOM 486 N TRP A 24 -24.749 -11.190 2.131 1.00 20.00 N ATOM 487 CA TRP A 24 -23.437 -11.824 2.094 1.00 20.00 C ATOM 488 C TRP A 24 -23.293 -12.827 3.233 1.00 20.00 C ATOM 489 O TRP A 24 -22.580 -13.822 3.110 1.00 20.00 O ATOM 490 CB TRP A 24 -22.327 -10.775 2.158 1.00 20.00 C ATOM 491 CG TRP A 24 -22.114 -10.070 0.857 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.196 -10.391 -0.098 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.832 -8.935 0.358 1.00 20.00 C ATOM 494 NE1 TRP A 24 -21.297 -9.527 -1.158 1.00 20.00 N ATOM 495 CE2 TRP A 24 -22.293 -8.624 -0.902 1.00 20.00 C ATOM 496 CE3 TRP A 24 -23.877 -8.151 0.852 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -22.761 -7.565 -1.674 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -24.342 -7.099 0.085 1.00 20.00 C ATOM 499 CH2 TRP A 24 -23.785 -6.815 -1.166 1.00 20.00 C ATOM 0 H TRP A 24 -24.735 -10.203 2.388 1.00 20.00 H new ATOM 0 HA TRP A 24 -23.345 -12.361 1.150 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -22.571 -10.042 2.927 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -21.397 -11.256 2.461 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -20.492 -11.207 -0.030 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -20.723 -9.553 -2.001 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -24.314 -8.363 1.817 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -22.331 -7.344 -2.640 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -25.149 -6.486 0.458 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -24.171 -5.987 -1.742 1.00 20.00 H new ATOM 510 N LEU A 25 -23.989 -12.570 4.333 1.00 20.00 N ATOM 511 CA LEU A 25 -24.005 -13.499 5.456 1.00 20.00 C ATOM 512 C LEU A 25 -24.794 -14.750 5.084 1.00 20.00 C ATOM 513 O LEU A 25 -24.456 -15.859 5.500 1.00 20.00 O ATOM 514 CB LEU A 25 -24.608 -12.851 6.713 1.00 20.00 C ATOM 515 CG LEU A 25 -23.667 -11.958 7.541 1.00 20.00 C ATOM 516 CD1 LEU A 25 -22.470 -12.751 8.046 1.00 20.00 C ATOM 517 CD2 LEU A 25 -23.203 -10.751 6.741 1.00 20.00 C ATOM 0 H LEU A 25 -24.548 -11.728 4.472 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.974 -13.773 5.682 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -25.468 -12.253 6.410 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -24.983 -13.644 7.360 1.00 20.00 H new ATOM 0 HG LEU A 25 -24.231 -11.597 8.401 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.820 -12.098 8.628 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -22.816 -13.572 8.674 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -21.915 -13.152 7.198 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -22.540 -10.141 7.354 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -22.668 -11.087 5.853 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.068 -10.159 6.442 1.00 20.00 H new ATOM 529 N ARG A 26 -25.837 -14.563 4.281 1.00 20.00 N ATOM 530 CA ARG A 26 -26.656 -15.677 3.820 1.00 20.00 C ATOM 531 C ARG A 26 -25.896 -16.489 2.777 1.00 20.00 C ATOM 532 O ARG A 26 -25.933 -17.720 2.779 1.00 20.00 O ATOM 533 CB ARG A 26 -27.975 -15.175 3.220 1.00 20.00 C ATOM 534 CG ARG A 26 -28.784 -14.246 4.122 1.00 20.00 C ATOM 535 CD ARG A 26 -29.260 -14.923 5.405 1.00 20.00 C ATOM 536 NE ARG A 26 -28.201 -15.035 6.411 1.00 20.00 N ATOM 537 CZ ARG A 26 -28.040 -14.180 7.424 1.00 20.00 C ATOM 538 NH1 ARG A 26 -28.821 -13.113 7.537 1.00 20.00 N ATOM 539 NH2 ARG A 26 -27.089 -14.385 8.322 1.00 20.00 N ATOM 0 H ARG A 26 -26.134 -13.650 3.936 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.883 -16.309 4.678 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.757 -14.653 2.288 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.592 -16.037 2.965 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.176 -13.379 4.380 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -29.649 -13.876 3.571 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.093 -14.357 5.822 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.637 -15.918 5.168 1.00 20.00 H new ATOM 0 HE ARG A 26 -27.547 -15.814 6.333 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -29.552 -12.940 6.847 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -28.691 -12.465 8.314 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -26.477 -15.197 8.241 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -26.968 -13.731 9.095 1.00 20.00 H new ATOM 553 N ALA A 27 -25.192 -15.787 1.896 1.00 20.00 N ATOM 554 CA ALA A 27 -24.394 -16.426 0.859 1.00 20.00 C ATOM 555 C ALA A 27 -23.191 -17.141 1.462 1.00 20.00 C ATOM 556 O ALA A 27 -22.623 -18.048 0.856 1.00 20.00 O ATOM 557 CB ALA A 27 -23.942 -15.397 -0.161 1.00 20.00 C ATOM 0 H ALA A 27 -25.159 -14.768 1.881 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.014 -17.170 0.358 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.346 -15.886 -0.932 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -24.814 -14.930 -0.618 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.340 -14.634 0.334 1.00 20.00 H new ATOM 563 N LYS A 28 -22.807 -16.717 2.656 1.00 20.00 N ATOM 564 CA LYS A 28 -21.711 -17.342 3.382 1.00 20.00 C ATOM 565 C LYS A 28 -22.053 -18.786 3.737 1.00 20.00 C ATOM 566 O LYS A 28 -21.234 -19.692 3.561 1.00 20.00 O ATOM 567 CB LYS A 28 -21.394 -16.543 4.650 1.00 20.00 C ATOM 568 CG LYS A 28 -20.379 -17.206 5.564 1.00 20.00 C ATOM 569 CD LYS A 28 -20.083 -16.343 6.775 1.00 20.00 C ATOM 570 CE LYS A 28 -19.116 -17.025 7.732 1.00 20.00 C ATOM 571 NZ LYS A 28 -19.669 -18.296 8.269 1.00 20.00 N ATOM 0 H LYS A 28 -23.242 -15.936 3.147 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.830 -17.347 2.740 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.021 -15.560 4.363 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -22.318 -16.383 5.206 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.757 -18.175 5.889 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.457 -17.392 5.013 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.662 -15.392 6.449 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -21.013 -16.118 7.297 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.177 -17.227 7.216 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.887 -16.351 8.558 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -19.110 -18.597 9.093 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -20.658 -18.150 8.556 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -19.626 -19.031 7.534 1.00 20.00 H new ATOM 585 N VAL A 29 -23.268 -19.000 4.225 1.00 20.00 N ATOM 586 CA VAL A 29 -23.715 -20.336 4.581 1.00 20.00 C ATOM 587 C VAL A 29 -24.283 -21.046 3.351 1.00 20.00 C ATOM 588 O VAL A 29 -24.436 -22.268 3.345 1.00 20.00 O ATOM 589 CB VAL A 29 -24.764 -20.299 5.719 1.00 20.00 C ATOM 590 CG1 VAL A 29 -26.101 -19.757 5.234 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.925 -21.675 6.347 1.00 20.00 C ATOM 0 H VAL A 29 -23.959 -18.266 4.382 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.853 -20.893 4.946 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.398 -19.615 6.485 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.811 -19.747 6.061 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.967 -18.743 4.857 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -26.483 -20.393 4.436 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.667 -21.627 7.144 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -25.254 -22.385 5.588 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -23.970 -22.001 6.759 1.00 20.00 H new ATOM 601 N ALA A 30 -24.570 -20.260 2.312 1.00 20.00 N ATOM 602 CA ALA A 30 -24.955 -20.777 0.996 1.00 20.00 C ATOM 603 C ALA A 30 -26.009 -21.876 1.085 1.00 20.00 C ATOM 604 O ALA A 30 -25.772 -23.021 0.687 1.00 20.00 O ATOM 605 CB ALA A 30 -23.723 -21.273 0.258 1.00 20.00 C ATOM 0 H ALA A 30 -24.542 -19.241 2.359 1.00 20.00 H new ATOM 0 HA ALA A 30 -25.407 -19.956 0.439 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -24.014 -21.656 -0.720 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -23.020 -20.450 0.130 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -23.250 -22.069 0.833 1.00 20.00 H new ATOM 611 N THR A 31 -27.171 -21.527 1.610 1.00 20.00 N ATOM 612 CA THR A 31 -28.264 -22.475 1.733 1.00 20.00 C ATOM 613 C THR A 31 -29.456 -22.016 0.889 1.00 20.00 C ATOM 614 O THR A 31 -30.613 -22.267 1.229 1.00 20.00 O ATOM 615 CB THR A 31 -28.682 -22.642 3.209 1.00 20.00 C ATOM 616 OG1 THR A 31 -27.512 -22.643 4.044 1.00 20.00 O ATOM 617 CG2 THR A 31 -29.442 -23.943 3.420 1.00 20.00 C ATOM 0 H THR A 31 -27.382 -20.592 1.959 1.00 20.00 H new ATOM 0 HA THR A 31 -27.924 -23.443 1.366 1.00 20.00 H new ATOM 0 HB THR A 31 -29.334 -21.809 3.473 1.00 20.00 H new ATOM 0 HG1 THR A 31 -27.779 -22.747 4.981 1.00 20.00 H new ATOM 0 HG21 THR A 31 -29.724 -24.034 4.469 1.00 20.00 H new ATOM 0 HG22 THR A 31 -30.340 -23.944 2.802 1.00 20.00 H new ATOM 0 HG23 THR A 31 -28.808 -24.784 3.141 1.00 20.00 H new ATOM 625 N SER A 32 -29.147 -21.330 -0.212 1.00 20.00 N ATOM 626 CA SER A 32 -30.159 -20.821 -1.135 1.00 20.00 C ATOM 627 C SER A 32 -31.168 -19.933 -0.409 1.00 20.00 C ATOM 628 O SER A 32 -32.380 -20.070 -0.580 1.00 20.00 O ATOM 629 CB SER A 32 -30.869 -21.984 -1.834 1.00 20.00 C ATOM 630 OG SER A 32 -29.934 -22.820 -2.502 1.00 20.00 O ATOM 0 H SER A 32 -28.189 -21.112 -0.488 1.00 20.00 H new ATOM 0 HA SER A 32 -29.659 -20.212 -1.888 1.00 20.00 H new ATOM 0 HB2 SER A 32 -31.427 -22.568 -1.102 1.00 20.00 H new ATOM 0 HB3 SER A 32 -31.593 -21.596 -2.551 1.00 20.00 H new ATOM 0 HG SER A 32 -30.409 -23.557 -2.940 1.00 20.00 H new ATOM 636 N LEU A 33 -30.657 -19.018 0.400 1.00 20.00 N ATOM 637 CA LEU A 33 -31.505 -18.120 1.169 1.00 20.00 C ATOM 638 C LEU A 33 -31.595 -16.761 0.485 1.00 20.00 C ATOM 639 O LEU A 33 -30.728 -15.904 0.663 1.00 20.00 O ATOM 640 CB LEU A 33 -30.959 -17.960 2.592 1.00 20.00 C ATOM 641 CG LEU A 33 -30.794 -19.264 3.383 1.00 20.00 C ATOM 642 CD1 LEU A 33 -30.155 -18.990 4.736 1.00 20.00 C ATOM 643 CD2 LEU A 33 -32.135 -19.965 3.566 1.00 20.00 C ATOM 0 H LEU A 33 -29.657 -18.877 0.541 1.00 20.00 H new ATOM 0 HA LEU A 33 -32.505 -18.550 1.224 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -29.991 -17.463 2.538 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -31.626 -17.300 3.147 1.00 20.00 H new ATOM 0 HG LEU A 33 -30.139 -19.923 2.813 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -30.046 -19.926 5.283 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -29.174 -18.538 4.590 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -30.787 -18.309 5.306 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -31.990 -20.887 4.130 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -32.816 -19.311 4.110 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -32.559 -20.200 2.590 1.00 20.00 H new ATOM 655 N ALA A 34 -32.633 -16.576 -0.316 1.00 20.00 N ATOM 656 CA ALA A 34 -32.831 -15.327 -1.036 1.00 20.00 C ATOM 657 C ALA A 34 -33.990 -14.540 -0.442 1.00 20.00 C ATOM 658 O ALA A 34 -34.959 -15.124 0.051 1.00 20.00 O ATOM 659 CB ALA A 34 -33.086 -15.599 -2.508 1.00 20.00 C ATOM 0 H ALA A 34 -33.354 -17.278 -0.484 1.00 20.00 H new ATOM 0 HA ALA A 34 -31.923 -14.732 -0.940 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -33.232 -14.655 -3.033 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -32.231 -16.123 -2.935 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -33.979 -16.215 -2.615 1.00 20.00 H new ATOM 665 N ASP A 35 -33.886 -13.221 -0.484 1.00 20.00 N ATOM 666 CA ASP A 35 -34.942 -12.349 0.015 1.00 20.00 C ATOM 667 C ASP A 35 -35.759 -11.790 -1.146 1.00 20.00 C ATOM 668 O ASP A 35 -35.270 -10.943 -1.899 1.00 20.00 O ATOM 669 CB ASP A 35 -34.349 -11.193 0.830 1.00 20.00 C ATOM 670 CG ASP A 35 -33.814 -11.619 2.181 1.00 20.00 C ATOM 671 OD1 ASP A 35 -32.639 -12.035 2.263 1.00 20.00 O ATOM 672 OD2 ASP A 35 -34.565 -11.520 3.175 1.00 20.00 O ATOM 0 H ASP A 35 -33.077 -12.727 -0.860 1.00 20.00 H new ATOM 0 HA ASP A 35 -35.592 -12.939 0.661 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -33.544 -10.731 0.258 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -35.115 -10.431 0.975 1.00 20.00 H new ATOM 677 N PRO A 36 -37.006 -12.267 -1.317 1.00 20.00 N ATOM 678 CA PRO A 36 -37.905 -11.792 -2.378 1.00 20.00 C ATOM 679 C PRO A 36 -38.232 -10.308 -2.236 1.00 20.00 C ATOM 680 O PRO A 36 -39.078 -9.915 -1.430 1.00 20.00 O ATOM 681 CB PRO A 36 -39.170 -12.640 -2.193 1.00 20.00 C ATOM 682 CG PRO A 36 -38.735 -13.814 -1.388 1.00 20.00 C ATOM 683 CD PRO A 36 -37.637 -13.313 -0.498 1.00 20.00 C ATOM 0 HA PRO A 36 -37.454 -11.894 -3.365 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -39.950 -12.078 -1.680 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -39.580 -12.951 -3.154 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -39.562 -14.214 -0.802 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -38.381 -14.620 -2.031 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -38.026 -12.914 0.439 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -36.933 -14.104 -0.239 1.00 20.00 H new ATOM 691 N ARG A 37 -37.555 -9.494 -3.029 1.00 20.00 N ATOM 692 CA ARG A 37 -37.702 -8.046 -2.972 1.00 20.00 C ATOM 693 C ARG A 37 -37.769 -7.482 -4.383 1.00 20.00 C ATOM 694 O ARG A 37 -37.282 -8.114 -5.323 1.00 20.00 O ATOM 695 CB ARG A 37 -36.508 -7.433 -2.235 1.00 20.00 C ATOM 696 CG ARG A 37 -36.437 -7.789 -0.760 1.00 20.00 C ATOM 697 CD ARG A 37 -35.021 -7.640 -0.236 1.00 20.00 C ATOM 698 NE ARG A 37 -34.117 -8.578 -0.897 1.00 20.00 N ATOM 699 CZ ARG A 37 -32.788 -8.504 -0.859 1.00 20.00 C ATOM 700 NH1 ARG A 37 -32.181 -7.538 -0.177 1.00 20.00 N ATOM 701 NH2 ARG A 37 -32.067 -9.412 -1.502 1.00 20.00 N ATOM 0 H ARG A 37 -36.888 -9.816 -3.730 1.00 20.00 H new ATOM 0 HA ARG A 37 -38.621 -7.801 -2.439 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -35.589 -7.760 -2.721 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -36.552 -6.348 -2.334 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -37.109 -7.144 -0.193 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -36.778 -8.814 -0.612 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -34.675 -6.619 -0.399 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -35.007 -7.813 0.840 1.00 20.00 H new ATOM 0 HE ARG A 37 -34.534 -9.345 -1.425 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -32.734 -6.843 0.325 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -31.162 -7.492 -0.155 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -32.531 -10.158 -2.020 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -31.048 -9.364 -1.479 1.00 20.00 H new ATOM 715 N PRO A 38 -38.381 -6.297 -4.557 1.00 20.00 N ATOM 716 CA PRO A 38 -38.421 -5.601 -5.851 1.00 20.00 C ATOM 717 C PRO A 38 -37.059 -5.031 -6.246 1.00 20.00 C ATOM 718 O PRO A 38 -36.931 -3.851 -6.579 1.00 20.00 O ATOM 719 CB PRO A 38 -39.429 -4.472 -5.619 1.00 20.00 C ATOM 720 CG PRO A 38 -39.391 -4.220 -4.153 1.00 20.00 C ATOM 721 CD PRO A 38 -39.106 -5.550 -3.509 1.00 20.00 C ATOM 0 HA PRO A 38 -38.695 -6.272 -6.666 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -39.157 -3.578 -6.181 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -40.428 -4.761 -5.944 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -38.619 -3.492 -3.902 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -40.339 -3.812 -3.803 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -38.504 -5.438 -2.608 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -40.025 -6.059 -3.217 1.00 20.00 H new ATOM 729 N ALA A 39 -36.051 -5.885 -6.195 1.00 20.00 N ATOM 730 CA ALA A 39 -34.689 -5.519 -6.532 1.00 20.00 C ATOM 731 C ALA A 39 -34.023 -6.669 -7.270 1.00 20.00 C ATOM 732 O ALA A 39 -34.277 -7.836 -6.964 1.00 20.00 O ATOM 733 CB ALA A 39 -33.909 -5.172 -5.273 1.00 20.00 C ATOM 0 H ALA A 39 -36.158 -6.860 -5.916 1.00 20.00 H new ATOM 0 HA ALA A 39 -34.702 -4.641 -7.178 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -32.888 -4.899 -5.541 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -34.388 -4.333 -4.768 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -33.891 -6.035 -4.607 1.00 20.00 H new ATOM 739 N ILE A 40 -33.185 -6.347 -8.241 1.00 20.00 N ATOM 740 CA ILE A 40 -32.539 -7.365 -9.050 1.00 20.00 C ATOM 741 C ILE A 40 -31.087 -7.563 -8.616 1.00 20.00 C ATOM 742 O ILE A 40 -30.272 -6.643 -8.709 1.00 20.00 O ATOM 743 CB ILE A 40 -32.567 -7.015 -10.560 1.00 20.00 C ATOM 744 CG1 ILE A 40 -34.007 -6.860 -11.079 1.00 20.00 C ATOM 745 CG2 ILE A 40 -31.831 -8.078 -11.361 1.00 20.00 C ATOM 746 CD1 ILE A 40 -34.636 -5.518 -10.772 1.00 20.00 C ATOM 0 H ILE A 40 -32.937 -5.389 -8.488 1.00 20.00 H new ATOM 0 HA ILE A 40 -33.102 -8.286 -8.897 1.00 20.00 H new ATOM 0 HB ILE A 40 -32.063 -6.057 -10.688 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -34.011 -7.012 -12.158 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -34.625 -7.646 -10.644 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -31.858 -7.820 -12.420 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -30.795 -8.132 -11.027 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -32.312 -9.045 -11.211 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -35.650 -5.491 -11.172 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -34.668 -5.369 -9.693 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -34.044 -4.725 -11.230 1.00 20.00 H new ATOM 758 N PRO A 41 -30.750 -8.758 -8.114 1.00 20.00 N ATOM 759 CA PRO A 41 -29.368 -9.118 -7.802 1.00 20.00 C ATOM 760 C PRO A 41 -28.585 -9.423 -9.073 1.00 20.00 C ATOM 761 O PRO A 41 -29.147 -9.923 -10.050 1.00 20.00 O ATOM 762 CB PRO A 41 -29.504 -10.375 -6.944 1.00 20.00 C ATOM 763 CG PRO A 41 -30.819 -10.974 -7.321 1.00 20.00 C ATOM 764 CD PRO A 41 -31.695 -9.847 -7.808 1.00 20.00 C ATOM 0 HA PRO A 41 -28.830 -8.315 -7.299 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -28.687 -11.071 -7.134 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -29.474 -10.131 -5.882 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -30.691 -11.726 -8.099 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -31.274 -11.474 -6.466 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -32.265 -10.139 -8.690 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -32.416 -9.546 -7.048 1.00 20.00 H new ATOM 772 N HIS A 42 -27.289 -9.132 -9.071 1.00 20.00 N ATOM 773 CA HIS A 42 -26.481 -9.323 -10.272 1.00 20.00 C ATOM 774 C HIS A 42 -26.225 -10.809 -10.525 1.00 20.00 C ATOM 775 O HIS A 42 -25.721 -11.186 -11.582 1.00 20.00 O ATOM 776 CB HIS A 42 -25.156 -8.540 -10.209 1.00 20.00 C ATOM 777 CG HIS A 42 -24.166 -9.041 -9.199 1.00 20.00 C ATOM 778 ND1 HIS A 42 -23.121 -9.875 -9.530 1.00 20.00 N ATOM 779 CD2 HIS A 42 -24.047 -8.802 -7.871 1.00 20.00 C ATOM 780 CE1 HIS A 42 -22.405 -10.129 -8.452 1.00 20.00 C ATOM 781 NE2 HIS A 42 -22.944 -9.491 -7.434 1.00 20.00 N ATOM 0 H HIS A 42 -26.780 -8.768 -8.265 1.00 20.00 H new ATOM 0 HA HIS A 42 -27.051 -8.923 -11.111 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -24.690 -8.565 -11.194 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -25.379 -7.496 -9.989 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -24.698 -8.185 -7.269 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -21.525 -10.754 -8.411 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -22.597 -9.507 -6.475 1.00 20.00 H new ATOM 790 N ASP A 43 -26.587 -11.643 -9.553 1.00 20.00 N ATOM 791 CA ASP A 43 -26.478 -13.095 -9.692 1.00 20.00 C ATOM 792 C ASP A 43 -27.312 -13.591 -10.868 1.00 20.00 C ATOM 793 O ASP A 43 -26.805 -14.281 -11.751 1.00 20.00 O ATOM 794 CB ASP A 43 -26.923 -13.798 -8.401 1.00 20.00 C ATOM 795 CG ASP A 43 -26.909 -15.312 -8.521 1.00 20.00 C ATOM 796 OD1 ASP A 43 -27.926 -15.890 -8.961 1.00 20.00 O ATOM 797 OD2 ASP A 43 -25.887 -15.933 -8.161 1.00 20.00 O ATOM 0 H ASP A 43 -26.961 -11.337 -8.655 1.00 20.00 H new ATOM 0 HA ASP A 43 -25.432 -13.336 -9.881 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -26.267 -13.497 -7.584 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -27.929 -13.468 -8.141 1.00 20.00 H new ATOM 802 N GLU A 44 -28.587 -13.214 -10.892 1.00 20.00 N ATOM 803 CA GLU A 44 -29.485 -13.667 -11.946 1.00 20.00 C ATOM 804 C GLU A 44 -29.210 -12.924 -13.249 1.00 20.00 C ATOM 805 O GLU A 44 -29.577 -13.386 -14.323 1.00 20.00 O ATOM 806 CB GLU A 44 -30.953 -13.509 -11.530 1.00 20.00 C ATOM 807 CG GLU A 44 -31.362 -12.087 -11.186 1.00 20.00 C ATOM 808 CD GLU A 44 -32.850 -11.962 -10.936 1.00 20.00 C ATOM 809 OE1 GLU A 44 -33.293 -12.199 -9.792 1.00 20.00 O ATOM 810 OE2 GLU A 44 -33.589 -11.638 -11.889 1.00 20.00 O ATOM 0 H GLU A 44 -29.018 -12.601 -10.200 1.00 20.00 H new ATOM 0 HA GLU A 44 -29.296 -14.728 -12.111 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -31.587 -13.870 -12.339 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -31.143 -14.147 -10.667 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -30.818 -11.759 -10.300 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -31.075 -11.422 -12.000 1.00 20.00 H new ATOM 817 N VAL A 45 -28.540 -11.784 -13.146 1.00 20.00 N ATOM 818 CA VAL A 45 -28.141 -11.023 -14.323 1.00 20.00 C ATOM 819 C VAL A 45 -27.168 -11.837 -15.170 1.00 20.00 C ATOM 820 O VAL A 45 -27.278 -11.881 -16.396 1.00 20.00 O ATOM 821 CB VAL A 45 -27.497 -9.678 -13.929 1.00 20.00 C ATOM 822 CG1 VAL A 45 -26.851 -9.002 -15.128 1.00 20.00 C ATOM 823 CG2 VAL A 45 -28.535 -8.764 -13.299 1.00 20.00 C ATOM 0 H VAL A 45 -28.261 -11.365 -12.259 1.00 20.00 H new ATOM 0 HA VAL A 45 -29.038 -10.812 -14.906 1.00 20.00 H new ATOM 0 HB VAL A 45 -26.713 -9.880 -13.199 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -26.406 -8.057 -14.817 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -26.076 -9.650 -15.537 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -27.607 -8.814 -15.891 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -28.068 -7.818 -13.025 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -29.338 -8.579 -14.012 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -28.944 -9.238 -12.407 1.00 20.00 H new ATOM 833 N GLU A 46 -26.237 -12.499 -14.495 1.00 20.00 N ATOM 834 CA GLU A 46 -25.273 -13.375 -15.156 1.00 20.00 C ATOM 835 C GLU A 46 -25.995 -14.492 -15.910 1.00 20.00 C ATOM 836 O GLU A 46 -25.561 -14.927 -16.975 1.00 20.00 O ATOM 837 CB GLU A 46 -24.308 -13.967 -14.119 1.00 20.00 C ATOM 838 CG GLU A 46 -23.216 -14.846 -14.711 1.00 20.00 C ATOM 839 CD GLU A 46 -22.290 -14.089 -15.641 1.00 20.00 C ATOM 840 OE1 GLU A 46 -21.519 -13.233 -15.155 1.00 20.00 O ATOM 841 OE2 GLU A 46 -22.320 -14.349 -16.862 1.00 20.00 O ATOM 0 H GLU A 46 -26.127 -12.446 -13.482 1.00 20.00 H new ATOM 0 HA GLU A 46 -24.702 -12.789 -15.876 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -23.842 -13.151 -13.566 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -24.880 -14.553 -13.400 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -22.631 -15.285 -13.902 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -23.676 -15.671 -15.256 1.00 20.00 H new ATOM 848 N ARG A 47 -27.120 -14.927 -15.360 1.00 20.00 N ATOM 849 CA ARG A 47 -27.903 -15.998 -15.958 1.00 20.00 C ATOM 850 C ARG A 47 -28.817 -15.458 -17.057 1.00 20.00 C ATOM 851 O ARG A 47 -29.099 -16.148 -18.036 1.00 20.00 O ATOM 852 CB ARG A 47 -28.734 -16.706 -14.884 1.00 20.00 C ATOM 853 CG ARG A 47 -29.577 -17.870 -15.397 1.00 20.00 C ATOM 854 CD ARG A 47 -28.725 -19.058 -15.834 1.00 20.00 C ATOM 855 NE ARG A 47 -27.955 -18.789 -17.049 1.00 20.00 N ATOM 856 CZ ARG A 47 -26.915 -19.521 -17.445 1.00 20.00 C ATOM 857 NH1 ARG A 47 -26.520 -20.561 -16.720 1.00 20.00 N ATOM 858 NH2 ARG A 47 -26.269 -19.216 -18.564 1.00 20.00 N ATOM 0 H ARG A 47 -27.512 -14.552 -14.496 1.00 20.00 H new ATOM 0 HA ARG A 47 -27.215 -16.714 -16.407 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -28.063 -17.075 -14.109 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -29.394 -15.976 -14.414 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -30.266 -18.189 -14.614 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -30.184 -17.533 -16.238 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -28.041 -19.325 -15.028 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -29.371 -19.920 -16.002 1.00 20.00 H new ATOM 0 HE ARG A 47 -28.231 -17.995 -17.626 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -27.013 -20.800 -15.860 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -25.724 -21.121 -17.024 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -26.569 -18.418 -19.125 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -25.473 -19.779 -18.863 1.00 20.00 H new ATOM 872 N ARG A 48 -29.275 -14.227 -16.893 1.00 20.00 N ATOM 873 CA ARG A 48 -30.167 -13.604 -17.865 1.00 20.00 C ATOM 874 C ARG A 48 -29.403 -13.109 -19.087 1.00 20.00 C ATOM 875 O ARG A 48 -30.001 -12.819 -20.117 1.00 20.00 O ATOM 876 CB ARG A 48 -30.966 -12.456 -17.247 1.00 20.00 C ATOM 877 CG ARG A 48 -32.021 -12.910 -16.249 1.00 20.00 C ATOM 878 CD ARG A 48 -33.047 -11.818 -15.995 1.00 20.00 C ATOM 879 NE ARG A 48 -33.796 -11.489 -17.209 1.00 20.00 N ATOM 880 CZ ARG A 48 -34.635 -10.461 -17.317 1.00 20.00 C ATOM 881 NH1 ARG A 48 -34.841 -9.657 -16.282 1.00 20.00 N ATOM 882 NH2 ARG A 48 -35.266 -10.238 -18.462 1.00 20.00 N ATOM 0 H ARG A 48 -29.044 -13.636 -16.094 1.00 20.00 H new ATOM 0 HA ARG A 48 -30.869 -14.375 -18.184 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -30.278 -11.774 -16.749 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -31.452 -11.893 -18.044 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -32.522 -13.802 -16.626 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -31.541 -13.187 -15.310 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -33.738 -12.141 -15.217 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -32.544 -10.925 -15.624 1.00 20.00 H new ATOM 0 HE ARG A 48 -33.667 -12.086 -18.026 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -34.356 -9.826 -15.401 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -35.484 -8.870 -16.368 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -35.108 -10.854 -19.260 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -35.909 -9.450 -18.545 1.00 20.00 H new ATOM 896 N MET A 49 -28.087 -12.984 -18.958 1.00 20.00 N ATOM 897 CA MET A 49 -27.240 -12.568 -20.077 1.00 20.00 C ATOM 898 C MET A 49 -27.552 -13.367 -21.341 1.00 20.00 C ATOM 899 O MET A 49 -27.506 -12.831 -22.446 1.00 20.00 O ATOM 900 CB MET A 49 -25.761 -12.712 -19.727 1.00 20.00 C ATOM 901 CG MET A 49 -25.225 -11.580 -18.871 1.00 20.00 C ATOM 902 SD MET A 49 -25.422 -9.967 -19.657 1.00 20.00 S ATOM 903 CE MET A 49 -24.698 -8.899 -18.415 1.00 20.00 C ATOM 0 H MET A 49 -27.581 -13.164 -18.091 1.00 20.00 H new ATOM 0 HA MET A 49 -27.457 -11.517 -20.271 1.00 20.00 H new ATOM 0 HB2 MET A 49 -25.611 -13.655 -19.202 1.00 20.00 H new ATOM 0 HB3 MET A 49 -25.182 -12.765 -20.649 1.00 20.00 H new ATOM 0 HG2 MET A 49 -25.742 -11.578 -17.911 1.00 20.00 H new ATOM 0 HG3 MET A 49 -24.169 -11.753 -18.664 1.00 20.00 H new ATOM 0 HE1 MET A 49 -24.467 -7.930 -18.858 1.00 20.00 H new ATOM 0 HE2 MET A 49 -25.404 -8.764 -17.595 1.00 20.00 H new ATOM 0 HE3 MET A 49 -23.782 -9.352 -18.035 1.00 20.00 H new ATOM 913 N ALA A 50 -27.886 -14.642 -21.163 1.00 20.00 N ATOM 914 CA ALA A 50 -28.243 -15.520 -22.272 1.00 20.00 C ATOM 915 C ALA A 50 -29.343 -14.918 -23.148 1.00 20.00 C ATOM 916 O ALA A 50 -29.198 -14.837 -24.369 1.00 20.00 O ATOM 917 CB ALA A 50 -28.683 -16.871 -21.736 1.00 20.00 C ATOM 0 H ALA A 50 -27.917 -15.094 -20.249 1.00 20.00 H new ATOM 0 HA ALA A 50 -27.359 -15.642 -22.897 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -28.949 -17.523 -22.568 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -27.868 -17.320 -21.168 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -29.549 -16.740 -21.087 1.00 20.00 H new ATOM 923 N GLU A 51 -30.434 -14.481 -22.521 1.00 20.00 N ATOM 924 CA GLU A 51 -31.559 -13.915 -23.259 1.00 20.00 C ATOM 925 C GLU A 51 -31.165 -12.583 -23.888 1.00 20.00 C ATOM 926 O GLU A 51 -31.655 -12.215 -24.954 1.00 20.00 O ATOM 927 CB GLU A 51 -32.784 -13.734 -22.349 1.00 20.00 C ATOM 928 CG GLU A 51 -32.655 -12.596 -21.347 1.00 20.00 C ATOM 929 CD GLU A 51 -33.824 -12.513 -20.392 1.00 20.00 C ATOM 930 OE1 GLU A 51 -33.779 -13.167 -19.331 1.00 20.00 O ATOM 931 OE2 GLU A 51 -34.796 -11.788 -20.687 1.00 20.00 O ATOM 0 H GLU A 51 -30.562 -14.508 -21.509 1.00 20.00 H new ATOM 0 HA GLU A 51 -31.827 -14.613 -24.052 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -33.662 -13.558 -22.971 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -32.960 -14.663 -21.806 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -31.735 -12.725 -20.776 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -32.566 -11.653 -21.886 1.00 20.00 H new ATOM 938 N ARG A 52 -30.253 -11.876 -23.232 1.00 20.00 N ATOM 939 CA ARG A 52 -29.778 -10.596 -23.734 1.00 20.00 C ATOM 940 C ARG A 52 -28.915 -10.798 -24.972 1.00 20.00 C ATOM 941 O ARG A 52 -28.911 -9.965 -25.876 1.00 20.00 O ATOM 942 CB ARG A 52 -28.994 -9.838 -22.657 1.00 20.00 C ATOM 943 CG ARG A 52 -29.841 -9.393 -21.470 1.00 20.00 C ATOM 944 CD ARG A 52 -29.023 -8.591 -20.468 1.00 20.00 C ATOM 945 NE ARG A 52 -28.491 -7.357 -21.050 1.00 20.00 N ATOM 946 CZ ARG A 52 -27.871 -6.406 -20.349 1.00 20.00 C ATOM 947 NH1 ARG A 52 -27.748 -6.513 -19.030 1.00 20.00 N ATOM 948 NH2 ARG A 52 -27.394 -5.334 -20.966 1.00 20.00 N ATOM 0 H ARG A 52 -29.829 -12.169 -22.352 1.00 20.00 H new ATOM 0 HA ARG A 52 -30.647 -9.997 -24.005 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -28.186 -10.474 -22.295 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -28.531 -8.961 -23.109 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -30.677 -8.790 -21.824 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -30.266 -10.267 -20.977 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -29.645 -8.346 -19.607 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -28.199 -9.203 -20.102 1.00 20.00 H new ATOM 0 HE ARG A 52 -28.601 -7.216 -22.054 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -28.129 -7.326 -18.547 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -27.273 -5.782 -18.501 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -27.501 -5.237 -21.976 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -26.920 -4.606 -20.431 1.00 20.00 H new ATOM 962 N PHE A 53 -28.191 -11.911 -25.016 1.00 20.00 N ATOM 963 CA PHE A 53 -27.402 -12.257 -26.188 1.00 20.00 C ATOM 964 C PHE A 53 -28.315 -12.697 -27.327 1.00 20.00 C ATOM 965 O PHE A 53 -28.017 -12.471 -28.500 1.00 20.00 O ATOM 966 CB PHE A 53 -26.388 -13.356 -25.865 1.00 20.00 C ATOM 967 CG PHE A 53 -25.329 -12.938 -24.881 1.00 20.00 C ATOM 968 CD1 PHE A 53 -24.725 -11.692 -24.975 1.00 20.00 C ATOM 969 CD2 PHE A 53 -24.941 -13.787 -23.858 1.00 20.00 C ATOM 970 CE1 PHE A 53 -23.757 -11.305 -24.069 1.00 20.00 C ATOM 971 CE2 PHE A 53 -23.974 -13.405 -22.949 1.00 20.00 C ATOM 972 CZ PHE A 53 -23.381 -12.163 -23.054 1.00 20.00 C ATOM 0 H PHE A 53 -28.135 -12.587 -24.254 1.00 20.00 H new ATOM 0 HA PHE A 53 -26.850 -11.370 -26.499 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -26.919 -14.221 -25.467 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -25.906 -13.675 -26.789 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -25.015 -11.017 -25.766 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -25.401 -14.760 -23.770 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -23.295 -10.333 -24.154 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -23.682 -14.078 -22.156 1.00 20.00 H new ATOM 0 HZ PHE A 53 -22.625 -11.863 -22.344 1.00 20.00 H new ATOM 982 N ALA A 54 -29.435 -13.314 -26.973 1.00 20.00 N ATOM 983 CA ALA A 54 -30.444 -13.680 -27.955 1.00 20.00 C ATOM 984 C ALA A 54 -31.046 -12.428 -28.584 1.00 20.00 C ATOM 985 O ALA A 54 -31.304 -12.382 -29.787 1.00 20.00 O ATOM 986 CB ALA A 54 -31.529 -14.531 -27.314 1.00 20.00 C ATOM 0 H ALA A 54 -29.666 -13.571 -26.013 1.00 20.00 H new ATOM 0 HA ALA A 54 -29.968 -14.268 -28.740 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -32.275 -14.795 -28.064 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -31.086 -15.440 -26.907 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -32.005 -13.969 -26.511 1.00 20.00 H new ATOM 992 N LYS A 55 -31.256 -11.407 -27.761 1.00 20.00 N ATOM 993 CA LYS A 55 -31.762 -10.130 -28.243 1.00 20.00 C ATOM 994 C LYS A 55 -30.652 -9.341 -28.924 1.00 20.00 C ATOM 995 O LYS A 55 -30.913 -8.433 -29.712 1.00 20.00 O ATOM 996 CB LYS A 55 -32.359 -9.314 -27.096 1.00 20.00 C ATOM 997 CG LYS A 55 -33.481 -10.031 -26.361 1.00 20.00 C ATOM 998 CD LYS A 55 -34.193 -9.111 -25.385 1.00 20.00 C ATOM 999 CE LYS A 55 -34.922 -7.985 -26.104 1.00 20.00 C ATOM 1000 NZ LYS A 55 -35.750 -7.177 -25.171 1.00 20.00 N ATOM 0 H LYS A 55 -31.083 -11.440 -26.756 1.00 20.00 H new ATOM 0 HA LYS A 55 -32.549 -10.330 -28.970 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -31.569 -9.068 -26.386 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -32.738 -8.371 -27.490 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -34.199 -10.420 -27.083 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -33.074 -10.887 -25.823 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -34.905 -9.687 -24.795 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -33.469 -8.689 -24.688 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -34.196 -7.339 -26.597 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -35.558 -8.404 -26.884 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -36.230 -6.421 -25.699 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -36.460 -7.788 -24.719 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -35.140 -6.756 -24.441 1.00 20.00 H new ATOM 1014 N MET A 56 -29.412 -9.702 -28.623 1.00 20.00 N ATOM 1015 CA MET A 56 -28.252 -9.071 -29.243 1.00 20.00 C ATOM 1016 C MET A 56 -28.148 -9.492 -30.702 1.00 20.00 C ATOM 1017 O MET A 56 -27.523 -8.816 -31.515 1.00 20.00 O ATOM 1018 CB MET A 56 -26.971 -9.441 -28.485 1.00 20.00 C ATOM 1019 CG MET A 56 -25.710 -8.794 -29.042 1.00 20.00 C ATOM 1020 SD MET A 56 -24.222 -9.308 -28.163 1.00 20.00 S ATOM 1021 CE MET A 56 -22.972 -8.400 -29.072 1.00 20.00 C ATOM 0 H MET A 56 -29.182 -10.433 -27.950 1.00 20.00 H new ATOM 0 HA MET A 56 -28.375 -7.989 -29.198 1.00 20.00 H new ATOM 0 HB2 MET A 56 -27.084 -9.152 -27.440 1.00 20.00 H new ATOM 0 HB3 MET A 56 -26.850 -10.524 -28.505 1.00 20.00 H new ATOM 0 HG2 MET A 56 -25.611 -9.049 -30.097 1.00 20.00 H new ATOM 0 HG3 MET A 56 -25.806 -7.710 -28.984 1.00 20.00 H new ATOM 0 HE1 MET A 56 -21.990 -8.611 -28.649 1.00 20.00 H new ATOM 0 HE2 MET A 56 -22.990 -8.705 -30.118 1.00 20.00 H new ATOM 0 HE3 MET A 56 -23.175 -7.331 -29.002 1.00 20.00 H new ATOM 1031 N ARG A 57 -28.773 -10.617 -31.028 1.00 20.00 N ATOM 1032 CA ARG A 57 -28.847 -11.078 -32.408 1.00 20.00 C ATOM 1033 C ARG A 57 -29.788 -10.181 -33.205 1.00 20.00 C ATOM 1034 O ARG A 57 -29.750 -10.153 -34.437 1.00 20.00 O ATOM 1035 CB ARG A 57 -29.302 -12.538 -32.461 1.00 20.00 C ATOM 1036 CG ARG A 57 -28.333 -13.483 -31.770 1.00 20.00 C ATOM 1037 CD ARG A 57 -28.769 -14.936 -31.874 1.00 20.00 C ATOM 1038 NE ARG A 57 -27.829 -15.821 -31.189 1.00 20.00 N ATOM 1039 CZ ARG A 57 -27.811 -17.146 -31.317 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -28.699 -17.764 -32.086 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -26.900 -17.857 -30.663 1.00 20.00 N ATOM 0 H ARG A 57 -29.236 -11.227 -30.354 1.00 20.00 H new ATOM 0 HA ARG A 57 -27.855 -11.021 -32.856 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -30.283 -12.625 -31.994 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -29.417 -12.840 -33.502 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -27.343 -13.371 -32.212 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -28.247 -13.206 -30.719 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -29.763 -15.052 -31.441 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -28.843 -15.222 -32.923 1.00 20.00 H new ATOM 0 HE ARG A 57 -27.139 -15.394 -30.570 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -29.404 -17.223 -32.586 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -28.676 -18.780 -32.177 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -26.219 -17.388 -30.066 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -26.881 -18.872 -30.757 1.00 20.00 H new ATOM 1055 N LYS A 58 -30.623 -9.451 -32.459 1.00 20.00 N ATOM 1056 CA LYS A 58 -31.511 -8.418 -32.992 1.00 20.00 C ATOM 1057 C LYS A 58 -32.687 -8.998 -33.776 1.00 20.00 C ATOM 1058 O LYS A 58 -32.516 -9.751 -34.736 1.00 20.00 O ATOM 1059 CB LYS A 58 -30.732 -7.419 -33.854 1.00 20.00 C ATOM 1060 CG LYS A 58 -31.544 -6.198 -34.256 1.00 20.00 C ATOM 1061 CD LYS A 58 -30.729 -5.239 -35.108 1.00 20.00 C ATOM 1062 CE LYS A 58 -31.559 -4.044 -35.551 1.00 20.00 C ATOM 1063 NZ LYS A 58 -32.738 -4.456 -36.359 1.00 20.00 N ATOM 0 H LYS A 58 -30.701 -9.565 -31.448 1.00 20.00 H new ATOM 0 HA LYS A 58 -31.929 -7.894 -32.132 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -29.847 -7.093 -33.307 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -30.382 -7.924 -34.754 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -32.429 -6.515 -34.809 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -31.894 -5.683 -33.362 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -29.864 -4.893 -34.542 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -30.348 -5.763 -35.984 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -31.895 -3.491 -34.674 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -30.937 -3.367 -36.136 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -33.119 -3.630 -36.863 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -32.451 -5.180 -37.048 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -33.470 -4.847 -35.731 1.00 20.00 H new ATOM 1077 N GLU A 59 -33.886 -8.635 -33.348 1.00 20.00 N ATOM 1078 CA GLU A 59 -35.104 -8.991 -34.053 1.00 20.00 C ATOM 1079 C GLU A 59 -35.797 -7.714 -34.514 1.00 20.00 C ATOM 1080 O GLU A 59 -35.895 -6.747 -33.756 1.00 20.00 O ATOM 1081 CB GLU A 59 -36.032 -9.804 -33.143 1.00 20.00 C ATOM 1082 CG GLU A 59 -37.362 -10.168 -33.791 1.00 20.00 C ATOM 1083 CD GLU A 59 -37.199 -11.022 -35.032 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -36.810 -10.480 -36.088 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -37.458 -12.243 -34.956 1.00 20.00 O ATOM 0 H GLU A 59 -34.040 -8.086 -32.503 1.00 20.00 H new ATOM 0 HA GLU A 59 -34.858 -9.607 -34.918 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -35.522 -10.719 -32.843 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -36.225 -9.234 -32.234 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -37.979 -10.701 -33.068 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -37.895 -9.254 -34.052 1.00 20.00 H new ATOM 1092 N ARG A 60 -36.262 -7.706 -35.757 1.00 20.00 N ATOM 1093 CA ARG A 60 -36.877 -6.516 -36.328 1.00 20.00 C ATOM 1094 C ARG A 60 -38.365 -6.484 -36.001 1.00 20.00 C ATOM 1095 O ARG A 60 -38.774 -5.915 -34.993 1.00 20.00 O ATOM 1096 CB ARG A 60 -36.672 -6.464 -37.846 1.00 20.00 C ATOM 1097 CG ARG A 60 -35.217 -6.562 -38.274 1.00 20.00 C ATOM 1098 CD ARG A 60 -35.073 -6.549 -39.789 1.00 20.00 C ATOM 1099 NE ARG A 60 -35.522 -5.287 -40.374 1.00 20.00 N ATOM 1100 CZ ARG A 60 -35.723 -5.095 -41.678 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -35.513 -6.081 -42.540 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -36.134 -3.913 -42.122 1.00 20.00 N ATOM 0 H ARG A 60 -36.225 -8.508 -36.387 1.00 20.00 H new ATOM 0 HA ARG A 60 -36.395 -5.643 -35.888 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -37.232 -7.278 -38.307 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -37.091 -5.533 -38.228 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -34.656 -5.730 -37.848 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -34.781 -7.478 -37.875 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -34.030 -6.720 -40.055 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -35.649 -7.370 -40.214 1.00 20.00 H new ATOM 0 HE ARG A 60 -35.692 -4.503 -39.744 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -35.196 -6.991 -42.206 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -35.668 -5.929 -43.537 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -36.297 -3.150 -41.465 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -36.287 -3.768 -43.120 1.00 20.00 H new ATOM 1116 N SER A 61 -39.162 -7.114 -36.848 1.00 20.00 N ATOM 1117 CA SER A 61 -40.596 -7.208 -36.620 1.00 20.00 C ATOM 1118 C SER A 61 -41.208 -8.329 -37.455 1.00 20.00 C ATOM 1119 O SER A 61 -42.370 -8.695 -37.263 1.00 20.00 O ATOM 1120 CB SER A 61 -41.279 -5.872 -36.940 1.00 20.00 C ATOM 1121 OG SER A 61 -40.908 -5.399 -38.225 1.00 20.00 O ATOM 0 H SER A 61 -38.840 -7.569 -37.702 1.00 20.00 H new ATOM 0 HA SER A 61 -40.757 -7.440 -35.567 1.00 20.00 H new ATOM 0 HB2 SER A 61 -42.361 -5.994 -36.893 1.00 20.00 H new ATOM 0 HB3 SER A 61 -41.009 -5.133 -36.186 1.00 20.00 H new ATOM 0 HG SER A 61 -41.359 -4.547 -38.403 1.00 20.00 H new ATOM 1127 N LYS A 62 -40.403 -8.868 -38.374 1.00 20.00 N ATOM 1128 CA LYS A 62 -40.830 -9.920 -39.288 1.00 20.00 C ATOM 1129 C LYS A 62 -41.990 -9.442 -40.157 1.00 20.00 C ATOM 1130 O LYS A 62 -43.159 -9.612 -39.808 1.00 20.00 O ATOM 1131 CB LYS A 62 -41.208 -11.192 -38.527 1.00 20.00 C ATOM 1132 CG LYS A 62 -41.477 -12.377 -39.442 1.00 20.00 C ATOM 1133 CD LYS A 62 -41.730 -13.653 -38.658 1.00 20.00 C ATOM 1134 CE LYS A 62 -40.526 -14.044 -37.811 1.00 20.00 C ATOM 1135 NZ LYS A 62 -40.703 -15.381 -37.187 1.00 20.00 N ATOM 0 H LYS A 62 -39.432 -8.582 -38.502 1.00 20.00 H new ATOM 0 HA LYS A 62 -39.990 -10.159 -39.941 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -40.404 -11.448 -37.837 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -42.095 -10.997 -37.924 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -42.340 -12.161 -40.072 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -40.626 -12.522 -40.107 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -42.599 -13.518 -38.014 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -41.967 -14.463 -39.348 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -39.630 -14.048 -38.432 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -40.371 -13.297 -37.033 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -39.864 -15.613 -36.618 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -41.544 -15.370 -36.575 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -40.826 -16.098 -37.931 1.00 20.00 H new ATOM 1149 N GLN A 63 -41.650 -8.825 -41.281 1.00 20.00 N ATOM 1150 CA GLN A 63 -42.647 -8.330 -42.218 1.00 20.00 C ATOM 1151 C GLN A 63 -43.434 -9.487 -42.820 1.00 20.00 C ATOM 1152 O GLN A 63 -44.570 -9.731 -42.368 1.00 20.00 O ATOM 1153 CB GLN A 63 -41.976 -7.513 -43.325 1.00 20.00 C ATOM 1154 CG GLN A 63 -41.290 -6.255 -42.824 1.00 20.00 C ATOM 1155 CD GLN A 63 -40.600 -5.487 -43.934 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -41.021 -5.529 -45.090 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -39.536 -4.779 -43.592 1.00 20.00 N ATOM 1158 OXT GLN A 63 -42.901 -10.166 -43.726 1.00 20.00 O ATOM 0 H GLN A 63 -40.685 -8.655 -41.566 1.00 20.00 H new ATOM 0 HA GLN A 63 -43.339 -7.685 -41.677 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -41.242 -8.139 -43.832 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -42.726 -7.237 -44.066 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -42.026 -5.610 -42.344 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -40.557 -6.523 -42.063 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -39.219 -4.771 -42.623 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -39.033 -4.242 -44.298 1.00 20.00 H new TER 1167 GLN A 63