USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 772 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot -119:sc= 0.626 USER MOD Single : A 4 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0963) USER MOD Single : A 9 LYS NZ :NH3+ -141:sc= 1.11 (180deg=-0.782!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 84:sc= 0.24 USER MOD Single : A 17 HIS : no HE2:sc= 0.445 K(o=0.44,f=-5.5!) USER MOD Single : A 20 THR OG1 : rot 71:sc= 0.253 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc=-0.00167 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.00126 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -3.81! K(o=-3.8!,f=-0.36) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -150:sc= -1.44! USER MOD Single : A 51 SER OG : rot -23:sc= 0.14 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -174:sc= -1.04 USER MOD Single : A 65 SER OG : rot 180:sc= -0.386 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.416 K(o=-0.42,f=-3!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -153:sc= -0.344 (180deg=-1.33) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 173:sc= -0.0111 (180deg=-0.085) USER MOD Single : A 92 ASN : amide:sc= 0.17 K(o=0.17,f=-1.2) USER MOD Single : A 94 MET CE :methyl -155:sc= -0.231 (180deg=-1.11) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.923 -17.222 10.234 1.00 0.00 N ATOM 2 CA MET A 1 10.803 -16.543 9.544 1.00 0.00 C ATOM 3 C MET A 1 10.492 -17.210 8.213 1.00 0.00 C ATOM 4 O MET A 1 11.373 -17.367 7.363 1.00 0.00 O ATOM 5 CB MET A 1 11.117 -15.062 9.313 1.00 0.00 C ATOM 6 CG MET A 1 10.826 -14.180 10.514 1.00 0.00 C ATOM 7 SD MET A 1 9.094 -14.249 11.009 1.00 0.00 S ATOM 8 CE MET A 1 9.076 -13.047 12.334 1.00 0.00 C ATOM 0 H1 MET A 1 12.113 -16.746 11.139 1.00 0.00 H new ATOM 0 H2 MET A 1 11.670 -18.215 10.412 1.00 0.00 H new ATOM 0 H3 MET A 1 12.774 -17.183 9.637 1.00 0.00 H new ATOM 0 HA MET A 1 9.929 -16.624 10.190 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.169 -14.961 9.046 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.536 -14.705 8.463 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.453 -14.490 11.350 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.094 -13.150 10.279 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.069 -12.974 12.746 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.767 -13.359 13.117 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.381 -12.075 11.947 1.00 0.00 H new ATOM 18 N PRO A 2 9.232 -17.619 8.020 1.00 0.00 N ATOM 19 CA PRO A 2 8.776 -18.188 6.759 1.00 0.00 C ATOM 20 C PRO A 2 8.439 -17.098 5.744 1.00 0.00 C ATOM 21 O PRO A 2 7.557 -16.266 5.973 1.00 0.00 O ATOM 22 CB PRO A 2 7.527 -18.969 7.162 1.00 0.00 C ATOM 23 CG PRO A 2 6.990 -18.259 8.362 1.00 0.00 C ATOM 24 CD PRO A 2 8.154 -17.559 9.024 1.00 0.00 C ATOM 0 HA PRO A 2 9.532 -18.806 6.275 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.795 -18.985 6.354 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.769 -20.006 7.394 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.223 -17.541 8.073 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.523 -18.964 9.050 1.00 0.00 H new ATOM 0 HD2 PRO A 2 7.906 -16.529 9.280 1.00 0.00 H new ATOM 0 HD3 PRO A 2 8.444 -18.057 9.949 1.00 0.00 H new ATOM 32 N TYR A 3 9.155 -17.102 4.631 1.00 0.00 N ATOM 33 CA TYR A 3 8.986 -16.082 3.608 1.00 0.00 C ATOM 34 C TYR A 3 7.679 -16.287 2.857 1.00 0.00 C ATOM 35 O TYR A 3 7.401 -17.381 2.359 1.00 0.00 O ATOM 36 CB TYR A 3 10.165 -16.107 2.628 1.00 0.00 C ATOM 37 CG TYR A 3 10.101 -15.031 1.563 1.00 0.00 C ATOM 38 CD1 TYR A 3 10.588 -13.756 1.813 1.00 0.00 C ATOM 39 CD2 TYR A 3 9.551 -15.292 0.311 1.00 0.00 C ATOM 40 CE1 TYR A 3 10.533 -12.769 0.849 1.00 0.00 C ATOM 41 CE2 TYR A 3 9.492 -14.309 -0.659 1.00 0.00 C ATOM 42 CZ TYR A 3 9.982 -13.050 -0.384 1.00 0.00 C ATOM 43 OH TYR A 3 9.929 -12.067 -1.349 1.00 0.00 O ATOM 0 H TYR A 3 9.862 -17.804 4.412 1.00 0.00 H new ATOM 0 HA TYR A 3 8.956 -15.109 4.098 1.00 0.00 H new ATOM 0 HB2 TYR A 3 11.093 -15.995 3.189 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.201 -17.083 2.143 1.00 0.00 H new ATOM 0 HD1 TYR A 3 11.017 -13.532 2.778 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.165 -16.277 0.094 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.919 -11.783 1.059 1.00 0.00 H new ATOM 0 HE2 TYR A 3 9.065 -14.526 -1.627 1.00 0.00 H new ATOM 0 HH TYR A 3 8.994 -11.890 -1.585 1.00 0.00 H new ATOM 53 N LYS A 4 6.882 -15.234 2.784 1.00 0.00 N ATOM 54 CA LYS A 4 5.634 -15.274 2.046 1.00 0.00 C ATOM 55 C LYS A 4 5.890 -14.953 0.579 1.00 0.00 C ATOM 56 O LYS A 4 6.358 -13.868 0.242 1.00 0.00 O ATOM 57 CB LYS A 4 4.627 -14.291 2.645 1.00 0.00 C ATOM 58 CG LYS A 4 4.330 -14.552 4.115 1.00 0.00 C ATOM 59 CD LYS A 4 3.302 -13.576 4.664 1.00 0.00 C ATOM 60 CE LYS A 4 1.946 -13.754 3.999 1.00 0.00 C ATOM 61 NZ LYS A 4 1.315 -15.055 4.354 1.00 0.00 N ATOM 0 H LYS A 4 7.080 -14.338 3.229 1.00 0.00 H new ATOM 0 HA LYS A 4 5.213 -16.277 2.117 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.010 -13.277 2.534 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.697 -14.344 2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.965 -15.572 4.237 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.251 -14.472 4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.201 -13.720 5.740 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.651 -12.555 4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.287 -12.939 4.297 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.062 -13.691 2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.340 -15.078 3.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.860 -15.832 3.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.303 -15.164 5.388 1.00 0.00 H new ATOM 75 N ALA A 5 5.596 -15.907 -0.283 1.00 0.00 N ATOM 76 CA ALA A 5 5.851 -15.759 -1.706 1.00 0.00 C ATOM 77 C ALA A 5 4.669 -15.079 -2.391 1.00 0.00 C ATOM 78 O ALA A 5 3.592 -14.953 -1.796 1.00 0.00 O ATOM 79 CB ALA A 5 6.128 -17.127 -2.318 1.00 0.00 C ATOM 0 H ALA A 5 5.177 -16.800 -0.022 1.00 0.00 H new ATOM 0 HA ALA A 5 6.727 -15.127 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.319 -17.016 -3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.000 -17.571 -1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.263 -17.774 -2.170 1.00 0.00 H new ATOM 85 N PRO A 6 4.837 -14.632 -3.650 1.00 0.00 N ATOM 86 CA PRO A 6 3.756 -14.019 -4.410 1.00 0.00 C ATOM 87 C PRO A 6 2.789 -15.076 -4.923 1.00 0.00 C ATOM 88 O PRO A 6 2.992 -15.675 -5.983 1.00 0.00 O ATOM 89 CB PRO A 6 4.464 -13.313 -5.580 1.00 0.00 C ATOM 90 CG PRO A 6 5.930 -13.439 -5.305 1.00 0.00 C ATOM 91 CD PRO A 6 6.089 -14.638 -4.416 1.00 0.00 C ATOM 0 HA PRO A 6 3.163 -13.331 -3.807 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.203 -13.776 -6.532 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.166 -12.266 -5.643 1.00 0.00 H new ATOM 0 HG2 PRO A 6 6.490 -13.565 -6.232 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.313 -12.541 -4.820 1.00 0.00 H new ATOM 0 HD2 PRO A 6 6.209 -15.556 -4.991 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.962 -14.551 -3.769 1.00 0.00 H new ATOM 99 N GLU A 7 1.765 -15.325 -4.123 1.00 0.00 N ATOM 100 CA GLU A 7 0.769 -16.353 -4.398 1.00 0.00 C ATOM 101 C GLU A 7 -0.149 -15.963 -5.562 1.00 0.00 C ATOM 102 O GLU A 7 -1.310 -15.599 -5.365 1.00 0.00 O ATOM 103 CB GLU A 7 -0.048 -16.632 -3.128 1.00 0.00 C ATOM 104 CG GLU A 7 -0.614 -15.374 -2.478 1.00 0.00 C ATOM 105 CD GLU A 7 -1.314 -15.650 -1.169 1.00 0.00 C ATOM 106 OE1 GLU A 7 -0.618 -15.902 -0.163 1.00 0.00 O ATOM 107 OE2 GLU A 7 -2.561 -15.583 -1.130 1.00 0.00 O ATOM 0 H GLU A 7 1.598 -14.815 -3.255 1.00 0.00 H new ATOM 0 HA GLU A 7 1.292 -17.262 -4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.870 -17.304 -3.375 1.00 0.00 H new ATOM 0 HB3 GLU A 7 0.583 -17.151 -2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.195 -14.664 -2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -1.315 -14.900 -3.166 1.00 0.00 H new ATOM 114 N GLY A 8 0.390 -16.019 -6.774 1.00 0.00 N ATOM 115 CA GLY A 8 -0.387 -15.701 -7.959 1.00 0.00 C ATOM 116 C GLY A 8 -0.767 -14.233 -8.033 1.00 0.00 C ATOM 117 O GLY A 8 -1.664 -13.850 -8.783 1.00 0.00 O ATOM 0 H GLY A 8 1.358 -16.281 -6.959 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.186 -15.969 -8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.293 -16.308 -7.968 1.00 0.00 H new ATOM 121 N LYS A 9 -0.086 -13.414 -7.247 1.00 0.00 N ATOM 122 CA LYS A 9 -0.370 -11.989 -7.196 1.00 0.00 C ATOM 123 C LYS A 9 0.886 -11.185 -7.501 1.00 0.00 C ATOM 124 O LYS A 9 1.996 -11.614 -7.184 1.00 0.00 O ATOM 125 CB LYS A 9 -0.929 -11.608 -5.822 1.00 0.00 C ATOM 126 CG LYS A 9 -0.011 -11.951 -4.657 1.00 0.00 C ATOM 127 CD LYS A 9 -0.682 -11.633 -3.335 1.00 0.00 C ATOM 128 CE LYS A 9 0.253 -11.841 -2.156 1.00 0.00 C ATOM 129 NZ LYS A 9 -0.388 -11.439 -0.877 1.00 0.00 N ATOM 0 H LYS A 9 0.671 -13.714 -6.633 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.119 -11.757 -7.953 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.130 -10.537 -5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.884 -12.113 -5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.251 -13.009 -4.693 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.919 -11.389 -4.743 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.029 -10.600 -3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.563 -12.264 -3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.547 -12.889 -2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.164 -11.262 -2.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.312 -10.965 -0.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.174 -10.787 -1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.751 -12.283 -0.390 1.00 0.00 H new ATOM 143 N GLY A 10 0.706 -10.030 -8.125 1.00 0.00 N ATOM 144 CA GLY A 10 1.829 -9.183 -8.449 1.00 0.00 C ATOM 145 C GLY A 10 1.823 -7.898 -7.650 1.00 0.00 C ATOM 146 O GLY A 10 1.515 -7.899 -6.457 1.00 0.00 O ATOM 0 H GLY A 10 -0.202 -9.666 -8.412 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.756 -9.723 -8.259 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.810 -8.948 -9.513 1.00 0.00 H new ATOM 150 N TYR A 11 2.129 -6.793 -8.319 1.00 0.00 N ATOM 151 CA TYR A 11 2.279 -5.497 -7.659 1.00 0.00 C ATOM 152 C TYR A 11 0.946 -4.972 -7.130 1.00 0.00 C ATOM 153 O TYR A 11 0.906 -4.000 -6.382 1.00 0.00 O ATOM 154 CB TYR A 11 2.872 -4.475 -8.634 1.00 0.00 C ATOM 155 CG TYR A 11 1.883 -3.996 -9.673 1.00 0.00 C ATOM 156 CD1 TYR A 11 1.457 -4.834 -10.692 1.00 0.00 C ATOM 157 CD2 TYR A 11 1.360 -2.712 -9.617 1.00 0.00 C ATOM 158 CE1 TYR A 11 0.538 -4.409 -11.628 1.00 0.00 C ATOM 159 CE2 TYR A 11 0.438 -2.278 -10.546 1.00 0.00 C ATOM 160 CZ TYR A 11 0.030 -3.130 -11.552 1.00 0.00 C ATOM 161 OH TYR A 11 -0.893 -2.704 -12.481 1.00 0.00 O ATOM 0 H TYR A 11 2.280 -6.767 -9.327 1.00 0.00 H new ATOM 0 HA TYR A 11 2.951 -5.639 -6.812 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.241 -3.618 -8.071 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.731 -4.919 -9.137 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.852 -5.837 -10.754 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.680 -2.042 -8.833 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.218 -5.074 -12.416 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.037 -1.277 -10.487 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.151 -1.779 -12.285 1.00 0.00 H new ATOM 171 N ALA A 12 -0.140 -5.629 -7.500 1.00 0.00 N ATOM 172 CA ALA A 12 -1.463 -5.144 -7.155 1.00 0.00 C ATOM 173 C ALA A 12 -1.792 -5.477 -5.710 1.00 0.00 C ATOM 174 O ALA A 12 -2.681 -4.875 -5.111 1.00 0.00 O ATOM 175 CB ALA A 12 -2.505 -5.725 -8.096 1.00 0.00 C ATOM 0 H ALA A 12 -0.131 -6.496 -8.037 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.474 -4.060 -7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.491 -5.350 -7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.276 -5.430 -9.120 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.496 -6.812 -8.022 1.00 0.00 H new ATOM 181 N ASP A 13 -1.045 -6.416 -5.140 1.00 0.00 N ATOM 182 CA ASP A 13 -1.239 -6.783 -3.749 1.00 0.00 C ATOM 183 C ASP A 13 -0.681 -5.702 -2.848 1.00 0.00 C ATOM 184 O ASP A 13 -1.369 -5.202 -1.963 1.00 0.00 O ATOM 185 CB ASP A 13 -0.563 -8.111 -3.423 1.00 0.00 C ATOM 186 CG ASP A 13 -0.750 -8.497 -1.970 1.00 0.00 C ATOM 187 OD1 ASP A 13 0.086 -8.108 -1.133 1.00 0.00 O ATOM 188 OD2 ASP A 13 -1.734 -9.199 -1.656 1.00 0.00 O ATOM 0 H ASP A 13 -0.306 -6.931 -5.618 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.310 -6.892 -3.580 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.972 -8.893 -4.062 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.502 -8.041 -3.646 1.00 0.00 H new ATOM 193 N VAL A 14 0.567 -5.326 -3.096 1.00 0.00 N ATOM 194 CA VAL A 14 1.223 -4.313 -2.291 1.00 0.00 C ATOM 195 C VAL A 14 0.603 -2.945 -2.521 1.00 0.00 C ATOM 196 O VAL A 14 0.517 -2.139 -1.601 1.00 0.00 O ATOM 197 CB VAL A 14 2.740 -4.264 -2.554 1.00 0.00 C ATOM 198 CG1 VAL A 14 3.431 -5.362 -1.779 1.00 0.00 C ATOM 199 CG2 VAL A 14 3.049 -4.415 -4.034 1.00 0.00 C ATOM 0 H VAL A 14 1.141 -5.708 -3.847 1.00 0.00 H new ATOM 0 HA VAL A 14 1.075 -4.591 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 14 3.107 -3.292 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.504 -5.322 -1.969 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.246 -5.227 -0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.042 -6.330 -2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.128 -4.376 -4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.666 -5.372 -4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.575 -3.606 -4.589 1.00 0.00 H new ATOM 209 N ALA A 15 0.154 -2.694 -3.743 1.00 0.00 N ATOM 210 CA ALA A 15 -0.570 -1.465 -4.051 1.00 0.00 C ATOM 211 C ALA A 15 -1.755 -1.290 -3.107 1.00 0.00 C ATOM 212 O ALA A 15 -1.905 -0.251 -2.465 1.00 0.00 O ATOM 213 CB ALA A 15 -1.043 -1.469 -5.497 1.00 0.00 C ATOM 0 H ALA A 15 0.277 -3.323 -4.537 1.00 0.00 H new ATOM 0 HA ALA A 15 0.111 -0.625 -3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.581 -0.544 -5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.182 -1.547 -6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.706 -2.319 -5.661 1.00 0.00 H new ATOM 219 N THR A 16 -2.578 -2.325 -3.004 1.00 0.00 N ATOM 220 CA THR A 16 -3.741 -2.287 -2.134 1.00 0.00 C ATOM 221 C THR A 16 -3.336 -2.408 -0.662 1.00 0.00 C ATOM 222 O THR A 16 -3.923 -1.757 0.208 1.00 0.00 O ATOM 223 CB THR A 16 -4.730 -3.412 -2.496 1.00 0.00 C ATOM 224 OG1 THR A 16 -5.064 -3.330 -3.887 1.00 0.00 O ATOM 225 CG2 THR A 16 -6.001 -3.318 -1.666 1.00 0.00 C ATOM 0 H THR A 16 -2.460 -3.201 -3.513 1.00 0.00 H new ATOM 0 HA THR A 16 -4.229 -1.324 -2.281 1.00 0.00 H new ATOM 0 HB THR A 16 -4.250 -4.367 -2.282 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.378 -3.788 -4.416 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.678 -4.125 -1.945 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.752 -3.403 -0.608 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.485 -2.359 -1.849 1.00 0.00 H new ATOM 233 N HIS A 17 -2.321 -3.223 -0.380 1.00 0.00 N ATOM 234 CA HIS A 17 -1.897 -3.446 0.988 1.00 0.00 C ATOM 235 C HIS A 17 -1.271 -2.198 1.600 1.00 0.00 C ATOM 236 O HIS A 17 -1.474 -1.925 2.776 1.00 0.00 O ATOM 237 CB HIS A 17 -0.942 -4.635 1.076 1.00 0.00 C ATOM 238 CG HIS A 17 -1.643 -5.916 1.420 1.00 0.00 C ATOM 239 ND1 HIS A 17 -1.384 -7.122 0.801 1.00 0.00 N ATOM 240 CD2 HIS A 17 -2.597 -6.170 2.344 1.00 0.00 C ATOM 241 CE1 HIS A 17 -2.149 -8.057 1.332 1.00 0.00 C ATOM 242 NE2 HIS A 17 -2.892 -7.506 2.270 1.00 0.00 N ATOM 0 H HIS A 17 -1.784 -3.734 -1.081 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.789 -3.679 1.570 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.426 -4.753 0.123 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.180 -4.429 1.828 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -0.708 -7.268 0.051 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.044 -5.452 3.016 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -2.164 -9.098 1.046 1.00 0.00 H new ATOM 251 N PHE A 18 -0.533 -1.434 0.800 1.00 0.00 N ATOM 252 CA PHE A 18 0.059 -0.186 1.278 1.00 0.00 C ATOM 253 C PHE A 18 -1.033 0.811 1.627 1.00 0.00 C ATOM 254 O PHE A 18 -0.994 1.445 2.678 1.00 0.00 O ATOM 255 CB PHE A 18 0.994 0.416 0.229 1.00 0.00 C ATOM 256 CG PHE A 18 2.440 0.058 0.424 1.00 0.00 C ATOM 257 CD1 PHE A 18 3.256 0.855 1.210 1.00 0.00 C ATOM 258 CD2 PHE A 18 2.986 -1.060 -0.184 1.00 0.00 C ATOM 259 CE1 PHE A 18 4.589 0.541 1.388 1.00 0.00 C ATOM 260 CE2 PHE A 18 4.319 -1.377 -0.012 1.00 0.00 C ATOM 261 CZ PHE A 18 5.121 -0.575 0.776 1.00 0.00 C ATOM 0 H PHE A 18 -0.331 -1.654 -0.175 1.00 0.00 H new ATOM 0 HA PHE A 18 0.643 -0.410 2.171 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.678 0.083 -0.759 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.893 1.501 0.247 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.845 1.732 1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.362 -1.691 -0.800 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.214 1.169 2.006 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.734 -2.251 -0.493 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.164 -0.821 0.913 1.00 0.00 H new ATOM 271 N ARG A 19 -2.027 0.907 0.748 1.00 0.00 N ATOM 272 CA ARG A 19 -3.177 1.785 0.960 1.00 0.00 C ATOM 273 C ARG A 19 -3.831 1.524 2.314 1.00 0.00 C ATOM 274 O ARG A 19 -4.471 2.405 2.894 1.00 0.00 O ATOM 275 CB ARG A 19 -4.206 1.581 -0.151 1.00 0.00 C ATOM 276 CG ARG A 19 -3.788 2.164 -1.487 1.00 0.00 C ATOM 277 CD ARG A 19 -4.761 1.793 -2.596 1.00 0.00 C ATOM 278 NE ARG A 19 -6.139 2.179 -2.285 1.00 0.00 N ATOM 279 CZ ARG A 19 -7.176 1.940 -3.088 1.00 0.00 C ATOM 280 NH1 ARG A 19 -6.985 1.401 -4.284 1.00 0.00 N ATOM 281 NH2 ARG A 19 -8.405 2.256 -2.700 1.00 0.00 N ATOM 0 H ARG A 19 -2.060 0.383 -0.126 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.818 2.814 0.943 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.389 0.513 -0.272 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.150 2.034 0.153 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.726 3.249 -1.406 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.791 1.806 -1.744 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.452 2.276 -3.523 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.718 0.717 -2.768 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.316 2.659 -1.402 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.042 1.167 -4.593 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.782 1.220 -4.895 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.557 2.683 -1.786 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.197 2.072 -3.316 1.00 0.00 H new ATOM 295 N THR A 20 -3.674 0.307 2.808 1.00 0.00 N ATOM 296 CA THR A 20 -4.214 -0.065 4.098 1.00 0.00 C ATOM 297 C THR A 20 -3.187 0.257 5.173 1.00 0.00 C ATOM 298 O THR A 20 -3.444 1.014 6.105 1.00 0.00 O ATOM 299 CB THR A 20 -4.560 -1.566 4.129 1.00 0.00 C ATOM 300 OG1 THR A 20 -5.305 -1.912 2.952 1.00 0.00 O ATOM 301 CG2 THR A 20 -5.375 -1.917 5.366 1.00 0.00 C ATOM 0 H THR A 20 -3.173 -0.442 2.329 1.00 0.00 H new ATOM 0 HA THR A 20 -5.130 0.497 4.281 1.00 0.00 H new ATOM 0 HB THR A 20 -3.628 -2.130 4.160 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.713 -1.889 2.172 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.604 -2.983 5.360 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.802 -1.674 6.261 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.304 -1.346 5.364 1.00 0.00 H new ATOM 309 N LEU A 21 -2.005 -0.296 4.959 1.00 0.00 N ATOM 310 CA LEU A 21 -0.858 -0.196 5.851 1.00 0.00 C ATOM 311 C LEU A 21 -0.499 1.250 6.233 1.00 0.00 C ATOM 312 O LEU A 21 0.078 1.477 7.297 1.00 0.00 O ATOM 313 CB LEU A 21 0.296 -0.898 5.140 1.00 0.00 C ATOM 314 CG LEU A 21 1.708 -0.439 5.464 1.00 0.00 C ATOM 315 CD1 LEU A 21 2.238 -1.124 6.714 1.00 0.00 C ATOM 316 CD2 LEU A 21 2.585 -0.721 4.262 1.00 0.00 C ATOM 0 H LEU A 21 -1.809 -0.850 4.125 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.090 -0.669 6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.230 -1.963 5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.145 -0.788 4.066 1.00 0.00 H new ATOM 0 HG LEU A 21 1.710 0.630 5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.250 -0.775 6.919 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.593 -0.886 7.560 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.251 -2.203 6.560 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.605 -0.399 4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.578 -1.790 4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.204 -0.177 3.398 1.00 0.00 H new ATOM 328 N ILE A 22 -0.833 2.212 5.375 1.00 0.00 N ATOM 329 CA ILE A 22 -0.657 3.631 5.704 1.00 0.00 C ATOM 330 C ILE A 22 -1.270 3.943 7.080 1.00 0.00 C ATOM 331 O ILE A 22 -0.578 4.402 7.985 1.00 0.00 O ATOM 332 CB ILE A 22 -1.246 4.551 4.592 1.00 0.00 C ATOM 333 CG1 ILE A 22 -0.131 5.038 3.654 1.00 0.00 C ATOM 334 CG2 ILE A 22 -1.990 5.756 5.167 1.00 0.00 C ATOM 335 CD1 ILE A 22 0.668 3.933 2.999 1.00 0.00 C ATOM 0 H ILE A 22 -1.226 2.039 4.450 1.00 0.00 H new ATOM 0 HA ILE A 22 0.412 3.839 5.755 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.965 3.951 4.034 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.574 5.658 2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.550 5.674 4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.381 6.365 4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.815 5.411 5.790 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.305 6.353 5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.432 4.369 2.355 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.145 3.324 3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.004 3.308 2.402 1.00 0.00 H new ATOM 347 N LYS A 23 -2.563 3.676 7.238 1.00 0.00 N ATOM 348 CA LYS A 23 -3.228 3.893 8.520 1.00 0.00 C ATOM 349 C LYS A 23 -3.257 2.613 9.361 1.00 0.00 C ATOM 350 O LYS A 23 -3.239 2.657 10.590 1.00 0.00 O ATOM 351 CB LYS A 23 -4.645 4.434 8.304 1.00 0.00 C ATOM 352 CG LYS A 23 -5.547 3.520 7.489 1.00 0.00 C ATOM 353 CD LYS A 23 -6.876 4.190 7.183 1.00 0.00 C ATOM 354 CE LYS A 23 -6.697 5.370 6.242 1.00 0.00 C ATOM 355 NZ LYS A 23 -7.952 6.139 6.061 1.00 0.00 N ATOM 0 H LYS A 23 -3.168 3.312 6.501 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.653 4.636 9.073 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.107 4.608 9.276 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.580 5.400 7.804 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.050 3.250 6.557 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.721 2.594 8.037 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.556 3.465 6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.337 4.529 8.111 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.922 6.030 6.633 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.351 5.010 5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.782 6.933 5.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.685 5.518 5.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.270 6.506 6.981 1.00 0.00 H new ATOM 369 N SER A 24 -3.283 1.478 8.686 1.00 0.00 N ATOM 370 CA SER A 24 -3.487 0.189 9.331 1.00 0.00 C ATOM 371 C SER A 24 -2.185 -0.594 9.485 1.00 0.00 C ATOM 372 O SER A 24 -2.201 -1.824 9.537 1.00 0.00 O ATOM 373 CB SER A 24 -4.496 -0.631 8.528 1.00 0.00 C ATOM 374 OG SER A 24 -5.721 0.070 8.383 1.00 0.00 O ATOM 0 H SER A 24 -3.163 1.422 7.675 1.00 0.00 H new ATOM 0 HA SER A 24 -3.871 0.378 10.333 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.085 -0.858 7.545 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.675 -1.584 9.027 1.00 0.00 H new ATOM 0 HG SER A 24 -6.350 -0.474 7.864 1.00 0.00 H new ATOM 380 N GLY A 25 -1.064 0.100 9.599 1.00 0.00 N ATOM 381 CA GLY A 25 0.202 -0.604 9.705 1.00 0.00 C ATOM 382 C GLY A 25 1.314 0.292 10.181 1.00 0.00 C ATOM 383 O GLY A 25 2.496 0.014 9.969 1.00 0.00 O ATOM 0 H GLY A 25 -1.003 1.118 9.620 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.093 -1.442 10.394 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.465 -1.022 8.733 1.00 0.00 H new ATOM 387 N GLU A 26 0.908 1.387 10.815 1.00 0.00 N ATOM 388 CA GLU A 26 1.803 2.246 11.578 1.00 0.00 C ATOM 389 C GLU A 26 2.851 2.927 10.710 1.00 0.00 C ATOM 390 O GLU A 26 3.780 3.545 11.228 1.00 0.00 O ATOM 391 CB GLU A 26 2.456 1.450 12.705 1.00 0.00 C ATOM 392 CG GLU A 26 1.440 0.682 13.526 1.00 0.00 C ATOM 393 CD GLU A 26 2.016 0.125 14.805 1.00 0.00 C ATOM 394 OE1 GLU A 26 2.782 -0.853 14.736 1.00 0.00 O ATOM 395 OE2 GLU A 26 1.686 0.650 15.887 1.00 0.00 O ATOM 0 H GLU A 26 -0.061 1.705 10.813 1.00 0.00 H new ATOM 0 HA GLU A 26 1.199 3.045 12.007 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.181 0.754 12.283 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.007 2.129 13.355 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.604 1.339 13.766 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.041 -0.136 12.927 1.00 0.00 H new ATOM 402 N LEU A 27 2.700 2.838 9.398 1.00 0.00 N ATOM 403 CA LEU A 27 3.502 3.651 8.506 1.00 0.00 C ATOM 404 C LEU A 27 2.847 5.008 8.366 1.00 0.00 C ATOM 405 O LEU A 27 2.456 5.424 7.275 1.00 0.00 O ATOM 406 CB LEU A 27 3.677 3.006 7.132 1.00 0.00 C ATOM 407 CG LEU A 27 4.606 1.792 7.089 1.00 0.00 C ATOM 408 CD1 LEU A 27 4.856 1.380 5.650 1.00 0.00 C ATOM 409 CD2 LEU A 27 5.923 2.090 7.792 1.00 0.00 C ATOM 0 H LEU A 27 2.037 2.218 8.934 1.00 0.00 H new ATOM 0 HA LEU A 27 4.499 3.750 8.936 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.696 2.705 6.764 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.059 3.759 6.442 1.00 0.00 H new ATOM 0 HG LEU A 27 4.122 0.969 7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.519 0.515 5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.909 1.123 5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.320 2.206 5.111 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.566 1.211 7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.418 2.927 7.299 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.730 2.346 8.834 1.00 0.00 H new ATOM 421 N ALA A 28 2.701 5.674 9.501 1.00 0.00 N ATOM 422 CA ALA A 28 2.089 6.982 9.549 1.00 0.00 C ATOM 423 C ALA A 28 2.916 7.970 8.724 1.00 0.00 C ATOM 424 O ALA A 28 4.104 7.736 8.479 1.00 0.00 O ATOM 425 CB ALA A 28 1.962 7.442 10.996 1.00 0.00 C ATOM 0 H ALA A 28 3.004 5.320 10.408 1.00 0.00 H new ATOM 0 HA ALA A 28 1.088 6.934 9.120 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.500 8.429 11.025 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.344 6.735 11.549 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.952 7.491 11.450 1.00 0.00 H new ATOM 431 N PRO A 29 2.329 9.104 8.316 1.00 0.00 N ATOM 432 CA PRO A 29 2.981 10.019 7.389 1.00 0.00 C ATOM 433 C PRO A 29 4.087 10.830 8.057 1.00 0.00 C ATOM 434 O PRO A 29 3.936 11.325 9.180 1.00 0.00 O ATOM 435 CB PRO A 29 1.847 10.946 6.927 1.00 0.00 C ATOM 436 CG PRO A 29 0.587 10.362 7.482 1.00 0.00 C ATOM 437 CD PRO A 29 0.992 9.572 8.689 1.00 0.00 C ATOM 0 HA PRO A 29 3.467 9.484 6.573 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.000 11.962 7.291 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.806 11.000 5.839 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.121 11.146 7.749 1.00 0.00 H new ATOM 0 HG3 PRO A 29 0.095 9.725 6.746 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.012 10.186 9.590 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.310 8.744 8.882 1.00 0.00 H new ATOM 445 N GLY A 30 5.200 10.948 7.354 1.00 0.00 N ATOM 446 CA GLY A 30 6.364 11.614 7.886 1.00 0.00 C ATOM 447 C GLY A 30 7.544 10.677 7.993 1.00 0.00 C ATOM 448 O GLY A 30 8.691 11.115 8.099 1.00 0.00 O ATOM 0 H GLY A 30 5.317 10.587 6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.625 12.457 7.246 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.132 12.021 8.870 1.00 0.00 H new ATOM 452 N ASP A 31 7.270 9.381 7.953 1.00 0.00 N ATOM 453 CA ASP A 31 8.322 8.382 8.076 1.00 0.00 C ATOM 454 C ASP A 31 8.767 7.940 6.690 1.00 0.00 C ATOM 455 O ASP A 31 8.041 8.123 5.719 1.00 0.00 O ATOM 456 CB ASP A 31 7.834 7.180 8.893 1.00 0.00 C ATOM 457 CG ASP A 31 8.974 6.301 9.375 1.00 0.00 C ATOM 458 OD1 ASP A 31 9.797 6.783 10.181 1.00 0.00 O ATOM 459 OD2 ASP A 31 9.051 5.128 8.961 1.00 0.00 O ATOM 0 H ASP A 31 6.332 8.998 7.837 1.00 0.00 H new ATOM 0 HA ASP A 31 9.170 8.822 8.600 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.266 7.536 9.753 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.153 6.585 8.285 1.00 0.00 H new ATOM 464 N THR A 32 9.953 7.368 6.592 1.00 0.00 N ATOM 465 CA THR A 32 10.481 6.945 5.308 1.00 0.00 C ATOM 466 C THR A 32 9.861 5.629 4.867 1.00 0.00 C ATOM 467 O THR A 32 9.239 4.929 5.667 1.00 0.00 O ATOM 468 CB THR A 32 12.005 6.764 5.378 1.00 0.00 C ATOM 469 OG1 THR A 32 12.335 5.895 6.473 1.00 0.00 O ATOM 470 CG2 THR A 32 12.711 8.100 5.548 1.00 0.00 C ATOM 0 H THR A 32 10.568 7.186 7.385 1.00 0.00 H new ATOM 0 HA THR A 32 10.233 7.724 4.587 1.00 0.00 H new ATOM 0 HB THR A 32 12.342 6.321 4.441 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.307 5.778 6.516 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.788 7.939 5.594 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.477 8.746 4.702 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.375 8.574 6.470 1.00 0.00 H new ATOM 478 N LEU A 33 10.023 5.295 3.598 1.00 0.00 N ATOM 479 CA LEU A 33 9.624 3.984 3.123 1.00 0.00 C ATOM 480 C LEU A 33 10.482 2.921 3.790 1.00 0.00 C ATOM 481 O LEU A 33 11.679 3.123 4.002 1.00 0.00 O ATOM 482 CB LEU A 33 9.751 3.865 1.601 1.00 0.00 C ATOM 483 CG LEU A 33 8.833 4.764 0.773 1.00 0.00 C ATOM 484 CD1 LEU A 33 8.636 4.175 -0.612 1.00 0.00 C ATOM 485 CD2 LEU A 33 7.497 4.971 1.460 1.00 0.00 C ATOM 0 H LEU A 33 10.423 5.906 2.886 1.00 0.00 H new ATOM 0 HA LEU A 33 8.575 3.840 3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.783 4.083 1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.559 2.829 1.321 1.00 0.00 H new ATOM 0 HG LEU A 33 9.310 5.740 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.980 4.823 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.601 4.092 -1.113 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.185 3.186 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.868 5.615 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.006 4.008 1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.656 5.440 2.431 1.00 0.00 H new ATOM 497 N PRO A 34 9.880 1.784 4.139 1.00 0.00 N ATOM 498 CA PRO A 34 10.601 0.675 4.750 1.00 0.00 C ATOM 499 C PRO A 34 11.394 -0.116 3.719 1.00 0.00 C ATOM 500 O PRO A 34 11.168 0.016 2.513 1.00 0.00 O ATOM 501 CB PRO A 34 9.486 -0.188 5.344 1.00 0.00 C ATOM 502 CG PRO A 34 8.281 0.104 4.515 1.00 0.00 C ATOM 503 CD PRO A 34 8.445 1.507 3.987 1.00 0.00 C ATOM 0 HA PRO A 34 11.331 1.010 5.486 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.744 -1.246 5.305 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.313 0.059 6.391 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.193 -0.610 3.696 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.372 0.019 5.111 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.134 1.579 2.945 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.840 2.218 4.550 1.00 0.00 H new ATOM 511 N SER A 35 12.327 -0.919 4.194 1.00 0.00 N ATOM 512 CA SER A 35 13.159 -1.719 3.316 1.00 0.00 C ATOM 513 C SER A 35 12.317 -2.765 2.590 1.00 0.00 C ATOM 514 O SER A 35 11.421 -3.364 3.187 1.00 0.00 O ATOM 515 CB SER A 35 14.265 -2.384 4.125 1.00 0.00 C ATOM 516 OG SER A 35 15.018 -1.417 4.839 1.00 0.00 O ATOM 0 H SER A 35 12.528 -1.035 5.187 1.00 0.00 H new ATOM 0 HA SER A 35 13.612 -1.072 2.565 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.831 -3.101 4.822 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.922 -2.944 3.460 1.00 0.00 H new ATOM 0 HG SER A 35 15.722 -1.865 5.353 1.00 0.00 H new ATOM 522 N VAL A 36 12.622 -2.980 1.308 1.00 0.00 N ATOM 523 CA VAL A 36 11.831 -3.863 0.443 1.00 0.00 C ATOM 524 C VAL A 36 11.615 -5.249 1.051 1.00 0.00 C ATOM 525 O VAL A 36 10.615 -5.909 0.757 1.00 0.00 O ATOM 526 CB VAL A 36 12.473 -4.016 -0.956 1.00 0.00 C ATOM 527 CG1 VAL A 36 12.459 -2.687 -1.695 1.00 0.00 C ATOM 528 CG2 VAL A 36 13.895 -4.551 -0.847 1.00 0.00 C ATOM 0 H VAL A 36 13.420 -2.550 0.841 1.00 0.00 H new ATOM 0 HA VAL A 36 10.859 -3.380 0.344 1.00 0.00 H new ATOM 0 HB VAL A 36 11.883 -4.736 -1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.914 -2.812 -2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.430 -2.347 -1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 36 13.023 -1.948 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 36 14.324 -4.650 -1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 36 14.499 -3.861 -0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.881 -5.526 -0.360 1.00 0.00 H new ATOM 538 N ALA A 37 12.539 -5.681 1.903 1.00 0.00 N ATOM 539 CA ALA A 37 12.428 -6.976 2.559 1.00 0.00 C ATOM 540 C ALA A 37 11.169 -7.065 3.415 1.00 0.00 C ATOM 541 O ALA A 37 10.513 -8.101 3.437 1.00 0.00 O ATOM 542 CB ALA A 37 13.659 -7.252 3.407 1.00 0.00 C ATOM 0 H ALA A 37 13.374 -5.151 2.155 1.00 0.00 H new ATOM 0 HA ALA A 37 12.357 -7.734 1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.558 -8.224 3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 37 14.545 -7.252 2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 37 13.758 -6.478 4.168 1.00 0.00 H new ATOM 548 N ASP A 38 10.822 -5.975 4.095 1.00 0.00 N ATOM 549 CA ASP A 38 9.667 -5.972 4.996 1.00 0.00 C ATOM 550 C ASP A 38 8.382 -6.140 4.205 1.00 0.00 C ATOM 551 O ASP A 38 7.545 -6.985 4.528 1.00 0.00 O ATOM 552 CB ASP A 38 9.601 -4.669 5.791 1.00 0.00 C ATOM 553 CG ASP A 38 8.793 -4.796 7.069 1.00 0.00 C ATOM 554 OD1 ASP A 38 7.577 -5.063 6.991 1.00 0.00 O ATOM 555 OD2 ASP A 38 9.379 -4.638 8.160 1.00 0.00 O ATOM 0 H ASP A 38 11.319 -5.086 4.042 1.00 0.00 H new ATOM 0 HA ASP A 38 9.781 -6.805 5.689 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.613 -4.348 6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.163 -3.890 5.166 1.00 0.00 H new ATOM 560 N ILE A 39 8.255 -5.338 3.151 1.00 0.00 N ATOM 561 CA ILE A 39 7.082 -5.366 2.296 1.00 0.00 C ATOM 562 C ILE A 39 6.845 -6.773 1.774 1.00 0.00 C ATOM 563 O ILE A 39 5.760 -7.309 1.912 1.00 0.00 O ATOM 564 CB ILE A 39 7.204 -4.407 1.083 1.00 0.00 C ATOM 565 CG1 ILE A 39 7.359 -2.946 1.518 1.00 0.00 C ATOM 566 CG2 ILE A 39 5.992 -4.542 0.172 1.00 0.00 C ATOM 567 CD1 ILE A 39 8.754 -2.573 1.955 1.00 0.00 C ATOM 0 H ILE A 39 8.960 -4.656 2.871 1.00 0.00 H new ATOM 0 HA ILE A 39 6.245 -5.035 2.911 1.00 0.00 H new ATOM 0 HB ILE A 39 8.104 -4.694 0.539 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.065 -2.300 0.691 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.669 -2.748 2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.095 -3.862 -0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.923 -5.567 -0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.089 -4.294 0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.776 -1.523 2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.047 -3.191 2.804 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.449 -2.735 1.131 1.00 0.00 H new ATOM 579 N ARG A 40 7.885 -7.381 1.216 1.00 0.00 N ATOM 580 CA ARG A 40 7.743 -8.677 0.563 1.00 0.00 C ATOM 581 C ARG A 40 7.751 -9.829 1.567 1.00 0.00 C ATOM 582 O ARG A 40 7.472 -10.971 1.208 1.00 0.00 O ATOM 583 CB ARG A 40 8.830 -8.874 -0.498 1.00 0.00 C ATOM 584 CG ARG A 40 10.247 -8.940 0.040 1.00 0.00 C ATOM 585 CD ARG A 40 11.233 -9.143 -1.097 1.00 0.00 C ATOM 586 NE ARG A 40 12.611 -9.283 -0.637 1.00 0.00 N ATOM 587 CZ ARG A 40 13.364 -10.351 -0.890 1.00 0.00 C ATOM 588 NH1 ARG A 40 12.841 -11.415 -1.491 1.00 0.00 N ATOM 589 NH2 ARG A 40 14.637 -10.366 -0.527 1.00 0.00 N ATOM 0 H ARG A 40 8.831 -7.000 1.202 1.00 0.00 H new ATOM 0 HA ARG A 40 6.771 -8.685 0.070 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.621 -9.794 -1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.768 -8.056 -1.216 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.483 -8.020 0.576 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.334 -9.757 0.756 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.952 -10.033 -1.661 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.168 -8.298 -1.782 1.00 0.00 H new ATOM 0 HE ARG A 40 13.018 -8.522 -0.093 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.857 -11.416 -1.761 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.423 -12.230 -1.682 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.042 -9.559 -0.053 1.00 0.00 H new ATOM 0 HH22 ARG A 40 15.213 -11.185 -0.721 1.00 0.00 H new ATOM 603 N ALA A 41 8.078 -9.533 2.817 1.00 0.00 N ATOM 604 CA ALA A 41 8.026 -10.542 3.867 1.00 0.00 C ATOM 605 C ALA A 41 6.625 -10.623 4.451 1.00 0.00 C ATOM 606 O ALA A 41 6.139 -11.708 4.772 1.00 0.00 O ATOM 607 CB ALA A 41 9.039 -10.246 4.961 1.00 0.00 C ATOM 0 H ALA A 41 8.380 -8.610 3.128 1.00 0.00 H new ATOM 0 HA ALA A 41 8.280 -11.505 3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.978 -11.015 5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.042 -10.238 4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.824 -9.273 5.402 1.00 0.00 H new ATOM 613 N GLN A 42 5.983 -9.472 4.599 1.00 0.00 N ATOM 614 CA GLN A 42 4.614 -9.426 5.095 1.00 0.00 C ATOM 615 C GLN A 42 3.639 -9.559 3.944 1.00 0.00 C ATOM 616 O GLN A 42 2.815 -10.470 3.899 1.00 0.00 O ATOM 617 CB GLN A 42 4.362 -8.109 5.809 1.00 0.00 C ATOM 618 CG GLN A 42 3.036 -8.044 6.556 1.00 0.00 C ATOM 619 CD GLN A 42 3.065 -8.748 7.906 1.00 0.00 C ATOM 620 OE1 GLN A 42 2.343 -8.369 8.825 1.00 0.00 O ATOM 621 NE2 GLN A 42 3.895 -9.774 8.040 1.00 0.00 N ATOM 0 H GLN A 42 6.387 -8.560 4.383 1.00 0.00 H new ATOM 0 HA GLN A 42 4.470 -10.252 5.792 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.173 -7.931 6.516 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.394 -7.301 5.078 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.763 -6.999 6.706 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.258 -8.492 5.938 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.480 -10.062 7.256 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.948 -10.275 8.927 1.00 0.00 H new ATOM 630 N PHE A 43 3.747 -8.628 3.020 1.00 0.00 N ATOM 631 CA PHE A 43 2.917 -8.609 1.842 1.00 0.00 C ATOM 632 C PHE A 43 3.613 -9.401 0.753 1.00 0.00 C ATOM 633 O PHE A 43 4.319 -8.837 -0.070 1.00 0.00 O ATOM 634 CB PHE A 43 2.677 -7.167 1.393 1.00 0.00 C ATOM 635 CG PHE A 43 2.223 -6.267 2.510 1.00 0.00 C ATOM 636 CD1 PHE A 43 1.108 -6.587 3.267 1.00 0.00 C ATOM 637 CD2 PHE A 43 2.918 -5.106 2.806 1.00 0.00 C ATOM 638 CE1 PHE A 43 0.694 -5.766 4.301 1.00 0.00 C ATOM 639 CE2 PHE A 43 2.511 -4.283 3.839 1.00 0.00 C ATOM 640 CZ PHE A 43 1.397 -4.613 4.586 1.00 0.00 C ATOM 0 H PHE A 43 4.417 -7.861 3.068 1.00 0.00 H new ATOM 0 HA PHE A 43 1.948 -9.059 2.057 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.597 -6.769 0.965 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.928 -7.160 0.601 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.555 -7.488 3.047 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.788 -4.841 2.223 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.177 -6.027 4.884 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.064 -3.382 4.062 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.076 -3.970 5.392 1.00 0.00 H new ATOM 650 N GLY A 44 3.449 -10.716 0.831 1.00 0.00 N ATOM 651 CA GLY A 44 4.114 -11.660 -0.068 1.00 0.00 C ATOM 652 C GLY A 44 4.204 -11.219 -1.523 1.00 0.00 C ATOM 653 O GLY A 44 3.300 -11.471 -2.323 1.00 0.00 O ATOM 0 H GLY A 44 2.848 -11.163 1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.123 -11.840 0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.584 -12.611 -0.026 1.00 0.00 H new ATOM 657 N VAL A 45 5.316 -10.575 -1.854 1.00 0.00 N ATOM 658 CA VAL A 45 5.621 -10.143 -3.214 1.00 0.00 C ATOM 659 C VAL A 45 7.099 -10.403 -3.497 1.00 0.00 C ATOM 660 O VAL A 45 7.819 -10.901 -2.630 1.00 0.00 O ATOM 661 CB VAL A 45 5.306 -8.638 -3.442 1.00 0.00 C ATOM 662 CG1 VAL A 45 3.807 -8.371 -3.461 1.00 0.00 C ATOM 663 CG2 VAL A 45 5.964 -7.771 -2.380 1.00 0.00 C ATOM 0 H VAL A 45 6.041 -10.335 -1.178 1.00 0.00 H new ATOM 0 HA VAL A 45 4.989 -10.713 -3.895 1.00 0.00 H new ATOM 0 HB VAL A 45 5.715 -8.377 -4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.629 -7.308 -3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.346 -8.943 -4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.372 -8.671 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.726 -6.724 -2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.594 -8.058 -1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.045 -7.909 -2.416 1.00 0.00 H new ATOM 673 N ALA A 46 7.552 -10.094 -4.703 1.00 0.00 N ATOM 674 CA ALA A 46 8.963 -10.228 -5.029 1.00 0.00 C ATOM 675 C ALA A 46 9.709 -8.952 -4.650 1.00 0.00 C ATOM 676 O ALA A 46 9.120 -8.022 -4.094 1.00 0.00 O ATOM 677 CB ALA A 46 9.154 -10.546 -6.505 1.00 0.00 C ATOM 0 H ALA A 46 6.968 -9.752 -5.466 1.00 0.00 H new ATOM 0 HA ALA A 46 9.374 -11.059 -4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.218 -10.641 -6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.650 -11.483 -6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.731 -9.743 -7.108 1.00 0.00 H new ATOM 683 N ALA A 47 10.991 -8.888 -4.983 1.00 0.00 N ATOM 684 CA ALA A 47 11.829 -7.773 -4.560 1.00 0.00 C ATOM 685 C ALA A 47 11.575 -6.537 -5.413 1.00 0.00 C ATOM 686 O ALA A 47 11.727 -5.407 -4.949 1.00 0.00 O ATOM 687 CB ALA A 47 13.296 -8.168 -4.621 1.00 0.00 C ATOM 0 H ALA A 47 11.473 -9.592 -5.543 1.00 0.00 H new ATOM 0 HA ALA A 47 11.571 -7.526 -3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 47 13.913 -7.327 -4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.472 -9.017 -3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.557 -8.443 -5.643 1.00 0.00 H new ATOM 693 N LYS A 48 11.175 -6.753 -6.658 1.00 0.00 N ATOM 694 CA LYS A 48 10.865 -5.653 -7.562 1.00 0.00 C ATOM 695 C LYS A 48 9.393 -5.275 -7.458 1.00 0.00 C ATOM 696 O LYS A 48 9.005 -4.153 -7.778 1.00 0.00 O ATOM 697 CB LYS A 48 11.193 -6.038 -9.005 1.00 0.00 C ATOM 698 CG LYS A 48 12.651 -6.404 -9.232 1.00 0.00 C ATOM 699 CD LYS A 48 12.885 -6.862 -10.663 1.00 0.00 C ATOM 700 CE LYS A 48 12.047 -8.087 -10.994 1.00 0.00 C ATOM 701 NZ LYS A 48 12.194 -8.500 -12.413 1.00 0.00 N ATOM 0 H LYS A 48 11.057 -7.680 -7.066 1.00 0.00 H new ATOM 0 HA LYS A 48 11.474 -4.796 -7.274 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.568 -6.882 -9.296 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.932 -5.207 -9.660 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.283 -5.543 -9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.942 -7.196 -8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.639 -6.053 -11.351 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.941 -7.091 -10.806 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.340 -8.912 -10.345 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.998 -7.875 -10.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.605 -9.338 -12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.890 -7.723 -13.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.190 -8.728 -12.607 1.00 0.00 H new ATOM 715 N THR A 49 8.585 -6.217 -6.986 1.00 0.00 N ATOM 716 CA THR A 49 7.141 -6.045 -6.936 1.00 0.00 C ATOM 717 C THR A 49 6.743 -4.911 -5.990 1.00 0.00 C ATOM 718 O THR A 49 5.784 -4.178 -6.250 1.00 0.00 O ATOM 719 CB THR A 49 6.476 -7.353 -6.491 1.00 0.00 C ATOM 720 OG1 THR A 49 7.034 -8.441 -7.233 1.00 0.00 O ATOM 721 CG2 THR A 49 4.979 -7.309 -6.715 1.00 0.00 C ATOM 0 H THR A 49 8.911 -7.115 -6.630 1.00 0.00 H new ATOM 0 HA THR A 49 6.799 -5.782 -7.937 1.00 0.00 H new ATOM 0 HB THR A 49 6.660 -7.488 -5.425 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.361 -9.147 -7.335 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.535 -8.250 -6.390 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.549 -6.488 -6.141 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.774 -7.158 -7.775 1.00 0.00 H new ATOM 729 N VAL A 50 7.495 -4.769 -4.907 1.00 0.00 N ATOM 730 CA VAL A 50 7.290 -3.688 -3.956 1.00 0.00 C ATOM 731 C VAL A 50 7.364 -2.335 -4.658 1.00 0.00 C ATOM 732 O VAL A 50 6.408 -1.559 -4.655 1.00 0.00 O ATOM 733 CB VAL A 50 8.373 -3.734 -2.865 1.00 0.00 C ATOM 734 CG1 VAL A 50 8.182 -2.609 -1.862 1.00 0.00 C ATOM 735 CG2 VAL A 50 8.393 -5.089 -2.176 1.00 0.00 C ATOM 0 H VAL A 50 8.261 -5.398 -4.665 1.00 0.00 H new ATOM 0 HA VAL A 50 6.304 -3.813 -3.509 1.00 0.00 H new ATOM 0 HB VAL A 50 9.342 -3.591 -3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.961 -2.664 -1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.243 -1.649 -2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.205 -2.705 -1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.167 -5.096 -1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.424 -5.277 -1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.603 -5.867 -2.910 1.00 0.00 H new ATOM 745 N SER A 51 8.508 -2.080 -5.278 1.00 0.00 N ATOM 746 CA SER A 51 8.761 -0.824 -5.973 1.00 0.00 C ATOM 747 C SER A 51 7.856 -0.658 -7.194 1.00 0.00 C ATOM 748 O SER A 51 7.735 0.438 -7.741 1.00 0.00 O ATOM 749 CB SER A 51 10.234 -0.747 -6.394 1.00 0.00 C ATOM 750 OG SER A 51 10.523 0.476 -7.051 1.00 0.00 O ATOM 0 H SER A 51 9.287 -2.737 -5.314 1.00 0.00 H new ATOM 0 HA SER A 51 8.536 -0.011 -5.283 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.871 -0.848 -5.515 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.469 -1.581 -7.055 1.00 0.00 H new ATOM 0 HG SER A 51 9.698 0.848 -7.428 1.00 0.00 H new ATOM 756 N ARG A 52 7.217 -1.741 -7.613 1.00 0.00 N ATOM 757 CA ARG A 52 6.355 -1.705 -8.785 1.00 0.00 C ATOM 758 C ARG A 52 5.022 -1.053 -8.428 1.00 0.00 C ATOM 759 O ARG A 52 4.477 -0.259 -9.196 1.00 0.00 O ATOM 760 CB ARG A 52 6.140 -3.122 -9.328 1.00 0.00 C ATOM 761 CG ARG A 52 5.437 -3.188 -10.678 1.00 0.00 C ATOM 762 CD ARG A 52 6.255 -2.525 -11.781 1.00 0.00 C ATOM 763 NE ARG A 52 6.033 -1.078 -11.852 1.00 0.00 N ATOM 764 CZ ARG A 52 6.993 -0.182 -12.081 1.00 0.00 C ATOM 765 NH1 ARG A 52 8.259 -0.567 -12.182 1.00 0.00 N ATOM 766 NH2 ARG A 52 6.683 1.103 -12.208 1.00 0.00 N ATOM 0 H ARG A 52 7.279 -2.653 -7.160 1.00 0.00 H new ATOM 0 HA ARG A 52 6.834 -1.111 -9.564 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.109 -3.614 -9.414 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.557 -3.690 -8.602 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.252 -4.230 -10.940 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.465 -2.701 -10.605 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.314 -2.719 -11.610 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.999 -2.976 -12.740 1.00 0.00 H new ATOM 0 HE ARG A 52 5.082 -0.734 -11.717 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.502 -1.553 -12.084 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.989 0.123 -12.357 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.711 1.403 -12.130 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.417 1.790 -12.383 1.00 0.00 H new ATOM 780 N ALA A 53 4.511 -1.381 -7.251 1.00 0.00 N ATOM 781 CA ALA A 53 3.277 -0.787 -6.765 1.00 0.00 C ATOM 782 C ALA A 53 3.488 0.648 -6.314 1.00 0.00 C ATOM 783 O ALA A 53 2.574 1.465 -6.390 1.00 0.00 O ATOM 784 CB ALA A 53 2.718 -1.597 -5.623 1.00 0.00 C ATOM 0 H ALA A 53 4.933 -2.057 -6.614 1.00 0.00 H new ATOM 0 HA ALA A 53 2.568 -0.786 -7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.794 -1.139 -5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.513 -2.612 -5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.442 -1.626 -4.809 1.00 0.00 H new ATOM 790 N LEU A 54 4.689 0.945 -5.825 1.00 0.00 N ATOM 791 CA LEU A 54 5.027 2.296 -5.364 1.00 0.00 C ATOM 792 C LEU A 54 4.706 3.360 -6.421 1.00 0.00 C ATOM 793 O LEU A 54 4.373 4.495 -6.086 1.00 0.00 O ATOM 794 CB LEU A 54 6.508 2.384 -4.984 1.00 0.00 C ATOM 795 CG LEU A 54 6.958 1.447 -3.861 1.00 0.00 C ATOM 796 CD1 LEU A 54 8.435 1.645 -3.562 1.00 0.00 C ATOM 797 CD2 LEU A 54 6.128 1.666 -2.606 1.00 0.00 C ATOM 0 H LEU A 54 5.448 0.270 -5.736 1.00 0.00 H new ATOM 0 HA LEU A 54 4.413 2.494 -4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.106 2.173 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.729 3.410 -4.688 1.00 0.00 H new ATOM 0 HG LEU A 54 6.805 0.421 -4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.738 0.971 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.019 1.431 -4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.609 2.676 -3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.467 0.988 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.243 2.696 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.078 1.471 -2.825 1.00 0.00 H new ATOM 809 N ALA A 55 4.792 2.985 -7.695 1.00 0.00 N ATOM 810 CA ALA A 55 4.490 3.904 -8.789 1.00 0.00 C ATOM 811 C ALA A 55 2.999 4.241 -8.829 1.00 0.00 C ATOM 812 O ALA A 55 2.601 5.291 -9.330 1.00 0.00 O ATOM 813 CB ALA A 55 4.941 3.308 -10.113 1.00 0.00 C ATOM 0 H ALA A 55 5.069 2.050 -7.995 1.00 0.00 H new ATOM 0 HA ALA A 55 5.036 4.832 -8.618 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.711 4.002 -10.922 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.016 3.128 -10.084 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.420 2.366 -10.284 1.00 0.00 H new ATOM 819 N VAL A 56 2.186 3.352 -8.287 1.00 0.00 N ATOM 820 CA VAL A 56 0.753 3.579 -8.184 1.00 0.00 C ATOM 821 C VAL A 56 0.445 4.294 -6.872 1.00 0.00 C ATOM 822 O VAL A 56 -0.559 4.994 -6.736 1.00 0.00 O ATOM 823 CB VAL A 56 -0.023 2.247 -8.229 1.00 0.00 C ATOM 824 CG1 VAL A 56 -1.523 2.483 -8.208 1.00 0.00 C ATOM 825 CG2 VAL A 56 0.377 1.431 -9.451 1.00 0.00 C ATOM 0 H VAL A 56 2.496 2.457 -7.908 1.00 0.00 H new ATOM 0 HA VAL A 56 0.441 4.192 -9.030 1.00 0.00 H new ATOM 0 HB VAL A 56 0.238 1.679 -7.336 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.042 1.525 -8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.795 3.013 -7.295 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.809 3.081 -9.073 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.182 0.496 -9.463 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.156 1.998 -10.355 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.445 1.215 -9.411 1.00 0.00 H new ATOM 835 N LEU A 57 1.345 4.132 -5.916 1.00 0.00 N ATOM 836 CA LEU A 57 1.182 4.709 -4.594 1.00 0.00 C ATOM 837 C LEU A 57 1.292 6.221 -4.643 1.00 0.00 C ATOM 838 O LEU A 57 0.851 6.907 -3.731 1.00 0.00 O ATOM 839 CB LEU A 57 2.225 4.153 -3.628 1.00 0.00 C ATOM 840 CG LEU A 57 1.727 3.080 -2.663 1.00 0.00 C ATOM 841 CD1 LEU A 57 1.347 1.808 -3.403 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.787 2.802 -1.615 1.00 0.00 C ATOM 0 H LEU A 57 2.206 3.598 -6.035 1.00 0.00 H new ATOM 0 HA LEU A 57 0.187 4.440 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.048 3.739 -4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.631 4.980 -3.045 1.00 0.00 H new ATOM 0 HG LEU A 57 0.829 3.448 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.996 1.063 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.554 2.026 -4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.218 1.421 -3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.428 2.036 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.698 2.454 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.999 3.716 -1.060 1.00 0.00 H new ATOM 854 N LYS A 58 1.888 6.735 -5.702 1.00 0.00 N ATOM 855 CA LYS A 58 2.048 8.169 -5.856 1.00 0.00 C ATOM 856 C LYS A 58 0.702 8.869 -5.734 1.00 0.00 C ATOM 857 O LYS A 58 0.501 9.715 -4.864 1.00 0.00 O ATOM 858 CB LYS A 58 2.650 8.495 -7.213 1.00 0.00 C ATOM 859 CG LYS A 58 3.932 7.760 -7.526 1.00 0.00 C ATOM 860 CD LYS A 58 4.467 8.209 -8.871 1.00 0.00 C ATOM 861 CE LYS A 58 5.428 7.205 -9.470 1.00 0.00 C ATOM 862 NZ LYS A 58 5.942 7.673 -10.784 1.00 0.00 N ATOM 0 H LYS A 58 2.270 6.181 -6.469 1.00 0.00 H new ATOM 0 HA LYS A 58 2.715 8.519 -5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.917 8.265 -7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.840 9.567 -7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.671 7.952 -6.748 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.752 6.685 -7.537 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.634 8.366 -9.557 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.971 9.169 -8.757 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.262 7.043 -8.787 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.926 6.245 -9.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.598 6.966 -11.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.147 7.804 -11.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.441 8.577 -10.660 1.00 0.00 H new ATOM 876 N SER A 59 -0.219 8.503 -6.610 1.00 0.00 N ATOM 877 CA SER A 59 -1.521 9.146 -6.643 1.00 0.00 C ATOM 878 C SER A 59 -2.528 8.383 -5.788 1.00 0.00 C ATOM 879 O SER A 59 -3.345 8.974 -5.085 1.00 0.00 O ATOM 880 CB SER A 59 -2.017 9.241 -8.085 1.00 0.00 C ATOM 881 OG SER A 59 -1.058 9.876 -8.920 1.00 0.00 O ATOM 0 H SER A 59 -0.090 7.767 -7.305 1.00 0.00 H new ATOM 0 HA SER A 59 -1.420 10.150 -6.232 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.229 8.242 -8.466 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.953 9.798 -8.114 1.00 0.00 H new ATOM 0 HG SER A 59 -1.401 9.921 -9.837 1.00 0.00 H new ATOM 887 N GLU A 60 -2.468 7.067 -5.879 1.00 0.00 N ATOM 888 CA GLU A 60 -3.457 6.198 -5.264 1.00 0.00 C ATOM 889 C GLU A 60 -3.053 5.731 -3.861 1.00 0.00 C ATOM 890 O GLU A 60 -3.796 5.927 -2.901 1.00 0.00 O ATOM 891 CB GLU A 60 -3.711 5.004 -6.185 1.00 0.00 C ATOM 892 CG GLU A 60 -4.406 3.845 -5.505 1.00 0.00 C ATOM 893 CD GLU A 60 -4.792 2.737 -6.465 1.00 0.00 C ATOM 894 OE1 GLU A 60 -5.179 3.046 -7.613 1.00 0.00 O ATOM 895 OE2 GLU A 60 -4.734 1.552 -6.068 1.00 0.00 O ATOM 0 H GLU A 60 -1.733 6.570 -6.381 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.374 6.773 -5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.315 5.332 -7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.759 4.659 -6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.751 3.438 -4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.301 4.210 -5.002 1.00 0.00 H new ATOM 902 N GLY A 61 -1.880 5.113 -3.754 1.00 0.00 N ATOM 903 CA GLY A 61 -1.488 4.452 -2.512 1.00 0.00 C ATOM 904 C GLY A 61 -1.067 5.411 -1.414 1.00 0.00 C ATOM 905 O GLY A 61 -0.881 4.999 -0.271 1.00 0.00 O ATOM 0 H GLY A 61 -1.190 5.056 -4.503 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.322 3.848 -2.154 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.665 3.768 -2.719 1.00 0.00 H new ATOM 909 N LEU A 62 -0.907 6.676 -1.781 1.00 0.00 N ATOM 910 CA LEU A 62 -0.509 7.739 -0.861 1.00 0.00 C ATOM 911 C LEU A 62 0.942 7.589 -0.408 1.00 0.00 C ATOM 912 O LEU A 62 1.232 7.078 0.673 1.00 0.00 O ATOM 913 CB LEU A 62 -1.439 7.831 0.357 1.00 0.00 C ATOM 914 CG LEU A 62 -2.894 8.219 0.070 1.00 0.00 C ATOM 915 CD1 LEU A 62 -3.507 8.823 1.321 1.00 0.00 C ATOM 916 CD2 LEU A 62 -2.982 9.178 -1.110 1.00 0.00 C ATOM 0 H LEU A 62 -1.051 6.999 -2.738 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.596 8.670 -1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.435 6.866 0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.021 8.559 1.053 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.456 7.326 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.542 9.101 1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.477 8.093 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.943 9.710 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.025 9.437 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.417 10.083 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.567 8.701 -1.998 1.00 0.00 H new ATOM 928 N VAL A 63 1.848 8.025 -1.264 1.00 0.00 N ATOM 929 CA VAL A 63 3.259 8.084 -0.935 1.00 0.00 C ATOM 930 C VAL A 63 3.834 9.364 -1.516 1.00 0.00 C ATOM 931 O VAL A 63 3.226 9.981 -2.392 1.00 0.00 O ATOM 932 CB VAL A 63 4.022 6.860 -1.489 1.00 0.00 C ATOM 933 CG1 VAL A 63 4.130 6.930 -3.001 1.00 0.00 C ATOM 934 CG2 VAL A 63 5.397 6.719 -0.858 1.00 0.00 C ATOM 0 H VAL A 63 1.626 8.348 -2.206 1.00 0.00 H new ATOM 0 HA VAL A 63 3.372 8.073 0.149 1.00 0.00 H new ATOM 0 HB VAL A 63 3.448 5.972 -1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.671 6.058 -3.368 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.131 6.947 -3.437 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.666 7.836 -3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.901 5.847 -1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.986 7.612 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.292 6.597 0.220 1.00 0.00 H new ATOM 944 N SER A 64 4.975 9.785 -1.020 1.00 0.00 N ATOM 945 CA SER A 64 5.618 10.975 -1.549 1.00 0.00 C ATOM 946 C SER A 64 7.129 10.806 -1.601 1.00 0.00 C ATOM 947 O SER A 64 7.817 10.887 -0.580 1.00 0.00 O ATOM 948 CB SER A 64 5.229 12.201 -0.722 1.00 0.00 C ATOM 949 OG SER A 64 3.824 12.409 -0.763 1.00 0.00 O ATOM 0 H SER A 64 5.477 9.329 -0.258 1.00 0.00 H new ATOM 0 HA SER A 64 5.270 11.126 -2.571 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.552 12.067 0.310 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.744 13.082 -1.105 1.00 0.00 H new ATOM 0 HG SER A 64 3.604 13.249 -0.308 1.00 0.00 H new ATOM 955 N SER A 65 7.635 10.542 -2.794 1.00 0.00 N ATOM 956 CA SER A 65 9.064 10.427 -3.011 1.00 0.00 C ATOM 957 C SER A 65 9.718 11.806 -2.936 1.00 0.00 C ATOM 958 O SER A 65 9.861 12.496 -3.947 1.00 0.00 O ATOM 959 CB SER A 65 9.330 9.778 -4.370 1.00 0.00 C ATOM 960 OG SER A 65 8.539 8.609 -4.531 1.00 0.00 O ATOM 0 H SER A 65 7.071 10.403 -3.632 1.00 0.00 H new ATOM 0 HA SER A 65 9.497 9.798 -2.233 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.107 10.487 -5.167 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.386 9.523 -4.457 1.00 0.00 H new ATOM 0 HG SER A 65 8.721 8.209 -5.407 1.00 0.00 H new ATOM 966 N ARG A 66 10.069 12.219 -1.725 1.00 0.00 N ATOM 967 CA ARG A 66 10.696 13.511 -1.508 1.00 0.00 C ATOM 968 C ARG A 66 12.093 13.505 -2.093 1.00 0.00 C ATOM 969 O ARG A 66 12.909 12.653 -1.758 1.00 0.00 O ATOM 970 CB ARG A 66 10.787 13.827 -0.015 1.00 0.00 C ATOM 971 CG ARG A 66 9.457 13.859 0.715 1.00 0.00 C ATOM 972 CD ARG A 66 8.615 15.066 0.337 1.00 0.00 C ATOM 973 NE ARG A 66 7.534 15.280 1.301 1.00 0.00 N ATOM 974 CZ ARG A 66 6.694 16.315 1.277 1.00 0.00 C ATOM 975 NH1 ARG A 66 6.738 17.201 0.289 1.00 0.00 N ATOM 976 NH2 ARG A 66 5.796 16.450 2.239 1.00 0.00 N ATOM 0 H ARG A 66 9.928 11.673 -0.875 1.00 0.00 H new ATOM 0 HA ARG A 66 10.087 14.272 -1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.428 13.084 0.460 1.00 0.00 H new ATOM 0 HB3 ARG A 66 11.275 14.794 0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.902 12.948 0.492 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.636 13.867 1.790 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.246 15.953 0.292 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.195 14.922 -0.659 1.00 0.00 H new ATOM 0 HE ARG A 66 7.415 14.589 2.042 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.420 17.094 -0.462 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.090 17.989 0.281 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.749 15.765 2.993 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.150 17.240 2.227 1.00 0.00 H new ATOM 990 N GLY A 67 12.375 14.454 -2.957 1.00 0.00 N ATOM 991 CA GLY A 67 13.697 14.531 -3.532 1.00 0.00 C ATOM 992 C GLY A 67 14.697 15.145 -2.572 1.00 0.00 C ATOM 993 O GLY A 67 15.898 15.148 -2.832 1.00 0.00 O ATOM 0 H GLY A 67 11.720 15.170 -3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.030 13.532 -3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.661 15.123 -4.446 1.00 0.00 H new ATOM 997 N ALA A 68 14.196 15.676 -1.463 1.00 0.00 N ATOM 998 CA ALA A 68 15.050 16.253 -0.434 1.00 0.00 C ATOM 999 C ALA A 68 15.101 15.357 0.800 1.00 0.00 C ATOM 1000 O ALA A 68 16.171 15.096 1.346 1.00 0.00 O ATOM 1001 CB ALA A 68 14.552 17.640 -0.055 1.00 0.00 C ATOM 0 H ALA A 68 13.199 15.719 -1.254 1.00 0.00 H new ATOM 0 HA ALA A 68 16.059 16.335 -0.837 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.199 18.061 0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 68 14.567 18.285 -0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.533 17.569 0.326 1.00 0.00 H new ATOM 1007 N LEU A 69 13.938 14.877 1.227 1.00 0.00 N ATOM 1008 CA LEU A 69 13.837 14.068 2.443 1.00 0.00 C ATOM 1009 C LEU A 69 14.044 12.585 2.144 1.00 0.00 C ATOM 1010 O LEU A 69 14.334 11.792 3.043 1.00 0.00 O ATOM 1011 CB LEU A 69 12.469 14.269 3.102 1.00 0.00 C ATOM 1012 CG LEU A 69 12.158 15.699 3.541 1.00 0.00 C ATOM 1013 CD1 LEU A 69 10.724 15.801 4.029 1.00 0.00 C ATOM 1014 CD2 LEU A 69 13.117 16.140 4.634 1.00 0.00 C ATOM 0 H LEU A 69 13.050 15.033 0.751 1.00 0.00 H new ATOM 0 HA LEU A 69 14.623 14.396 3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 69 11.697 13.945 2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.405 13.617 3.973 1.00 0.00 H new ATOM 0 HG LEU A 69 12.283 16.358 2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.517 16.825 4.338 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.045 15.521 3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.579 15.130 4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.881 17.161 4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.019 15.477 5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.140 16.099 4.259 1.00 0.00 H new ATOM 1026 N GLY A 70 13.906 12.218 0.882 1.00 0.00 N ATOM 1027 CA GLY A 70 13.960 10.822 0.506 1.00 0.00 C ATOM 1028 C GLY A 70 12.575 10.274 0.254 1.00 0.00 C ATOM 1029 O GLY A 70 11.581 10.959 0.503 1.00 0.00 O ATOM 0 H GLY A 70 13.757 12.864 0.107 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.569 10.707 -0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.444 10.248 1.296 1.00 0.00 H new ATOM 1033 N THR A 71 12.489 9.053 -0.236 1.00 0.00 N ATOM 1034 CA THR A 71 11.202 8.464 -0.530 1.00 0.00 C ATOM 1035 C THR A 71 10.485 8.119 0.782 1.00 0.00 C ATOM 1036 O THR A 71 10.835 7.147 1.455 1.00 0.00 O ATOM 1037 CB THR A 71 11.356 7.200 -1.397 1.00 0.00 C ATOM 1038 OG1 THR A 71 12.388 7.398 -2.376 1.00 0.00 O ATOM 1039 CG2 THR A 71 10.054 6.876 -2.107 1.00 0.00 C ATOM 0 H THR A 71 13.290 8.455 -0.437 1.00 0.00 H new ATOM 0 HA THR A 71 10.610 9.187 -1.091 1.00 0.00 H new ATOM 0 HB THR A 71 11.623 6.370 -0.743 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.481 6.589 -2.922 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.184 5.980 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.270 6.704 -1.369 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.772 7.711 -2.748 1.00 0.00 H new ATOM 1047 N VAL A 72 9.503 8.930 1.158 1.00 0.00 N ATOM 1048 CA VAL A 72 8.862 8.790 2.459 1.00 0.00 C ATOM 1049 C VAL A 72 7.364 8.563 2.314 1.00 0.00 C ATOM 1050 O VAL A 72 6.800 8.713 1.227 1.00 0.00 O ATOM 1051 CB VAL A 72 9.096 10.033 3.352 1.00 0.00 C ATOM 1052 CG1 VAL A 72 10.581 10.294 3.544 1.00 0.00 C ATOM 1053 CG2 VAL A 72 8.416 11.258 2.766 1.00 0.00 C ATOM 0 H VAL A 72 9.135 9.688 0.583 1.00 0.00 H new ATOM 0 HA VAL A 72 9.317 7.922 2.935 1.00 0.00 H new ATOM 0 HB VAL A 72 8.655 9.828 4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.717 11.172 4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.044 9.430 4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.048 10.467 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.595 12.118 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.820 11.459 1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.344 11.078 2.691 1.00 0.00 H new ATOM 1063 N VAL A 73 6.727 8.210 3.418 1.00 0.00 N ATOM 1064 CA VAL A 73 5.291 8.015 3.448 1.00 0.00 C ATOM 1065 C VAL A 73 4.621 9.306 3.873 1.00 0.00 C ATOM 1066 O VAL A 73 4.803 9.756 4.998 1.00 0.00 O ATOM 1067 CB VAL A 73 4.873 6.909 4.437 1.00 0.00 C ATOM 1068 CG1 VAL A 73 3.380 6.629 4.334 1.00 0.00 C ATOM 1069 CG2 VAL A 73 5.671 5.639 4.211 1.00 0.00 C ATOM 0 H VAL A 73 7.190 8.052 4.313 1.00 0.00 H new ATOM 0 HA VAL A 73 4.983 7.716 2.446 1.00 0.00 H new ATOM 0 HB VAL A 73 5.088 7.265 5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.107 5.845 5.041 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.823 7.537 4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.140 6.304 3.322 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.353 4.878 4.924 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.502 5.279 3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.732 5.846 4.351 1.00 0.00 H new ATOM 1079 N GLU A 74 3.865 9.906 2.977 1.00 0.00 N ATOM 1080 CA GLU A 74 3.143 11.127 3.286 1.00 0.00 C ATOM 1081 C GLU A 74 1.682 10.940 2.953 1.00 0.00 C ATOM 1082 O GLU A 74 1.350 10.217 2.011 1.00 0.00 O ATOM 1083 CB GLU A 74 3.698 12.310 2.485 1.00 0.00 C ATOM 1084 CG GLU A 74 5.140 12.656 2.811 1.00 0.00 C ATOM 1085 CD GLU A 74 5.275 13.405 4.118 1.00 0.00 C ATOM 1086 OE1 GLU A 74 4.960 12.833 5.173 1.00 0.00 O ATOM 1087 OE2 GLU A 74 5.691 14.580 4.087 1.00 0.00 O ATOM 0 H GLU A 74 3.733 9.568 2.024 1.00 0.00 H new ATOM 0 HA GLU A 74 3.263 11.341 4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.621 12.083 1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.075 13.185 2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.728 11.740 2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.556 13.260 2.005 1.00 0.00 H new ATOM 1094 N LYS A 75 0.809 11.572 3.719 1.00 0.00 N ATOM 1095 CA LYS A 75 -0.600 11.565 3.391 1.00 0.00 C ATOM 1096 C LYS A 75 -0.827 12.468 2.190 1.00 0.00 C ATOM 1097 O LYS A 75 -1.228 13.623 2.334 1.00 0.00 O ATOM 1098 CB LYS A 75 -1.461 12.031 4.569 1.00 0.00 C ATOM 1099 CG LYS A 75 -2.954 11.980 4.276 1.00 0.00 C ATOM 1100 CD LYS A 75 -3.765 12.709 5.334 1.00 0.00 C ATOM 1101 CE LYS A 75 -5.233 12.757 4.953 1.00 0.00 C ATOM 1102 NZ LYS A 75 -6.050 13.512 5.938 1.00 0.00 N ATOM 0 H LYS A 75 1.051 12.091 4.563 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.897 10.542 3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.246 11.408 5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.183 13.052 4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.148 12.425 3.300 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.278 10.941 4.223 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.651 12.208 6.295 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.383 13.723 5.456 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.336 13.218 3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.617 11.740 4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.044 13.516 5.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.976 13.059 6.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.703 14.490 6.000 1.00 0.00 H new ATOM 1116 N ASN A 76 -0.498 11.958 1.012 1.00 0.00 N ATOM 1117 CA ASN A 76 -0.711 12.699 -0.213 1.00 0.00 C ATOM 1118 C ASN A 76 -2.196 12.898 -0.408 1.00 0.00 C ATOM 1119 O ASN A 76 -2.973 11.968 -0.214 1.00 0.00 O ATOM 1120 CB ASN A 76 -0.139 11.942 -1.418 1.00 0.00 C ATOM 1121 CG ASN A 76 0.084 12.840 -2.623 1.00 0.00 C ATOM 1122 OD1 ASN A 76 0.394 14.023 -2.489 1.00 0.00 O ATOM 1123 ND2 ASN A 76 -0.049 12.278 -3.814 1.00 0.00 N ATOM 0 H ASN A 76 -0.083 11.035 0.883 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.202 13.660 -0.138 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.806 11.479 -1.135 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.820 11.136 -1.692 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.107 12.829 -4.658 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.307 11.294 -3.888 1.00 0.00 H new ATOM 1130 N PRO A 77 -2.629 14.113 -0.724 1.00 0.00 N ATOM 1131 CA PRO A 77 -4.009 14.340 -1.104 1.00 0.00 C ATOM 1132 C PRO A 77 -4.377 13.476 -2.288 1.00 0.00 C ATOM 1133 O PRO A 77 -3.837 13.640 -3.384 1.00 0.00 O ATOM 1134 CB PRO A 77 -4.037 15.819 -1.495 1.00 0.00 C ATOM 1135 CG PRO A 77 -2.877 16.422 -0.779 1.00 0.00 C ATOM 1136 CD PRO A 77 -1.832 15.343 -0.711 1.00 0.00 C ATOM 0 HA PRO A 77 -4.715 14.096 -0.310 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.945 15.945 -2.574 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.974 16.290 -1.197 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.502 17.297 -1.310 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.163 16.753 0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.148 15.390 -1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.227 15.423 0.192 1.00 0.00 H new ATOM 1144 N ILE A 78 -5.279 12.539 -2.063 1.00 0.00 N ATOM 1145 CA ILE A 78 -5.815 11.771 -3.152 1.00 0.00 C ATOM 1146 C ILE A 78 -6.572 12.717 -4.058 1.00 0.00 C ATOM 1147 O ILE A 78 -7.367 13.526 -3.581 1.00 0.00 O ATOM 1148 CB ILE A 78 -6.713 10.599 -2.667 1.00 0.00 C ATOM 1149 CG1 ILE A 78 -5.922 9.294 -2.706 1.00 0.00 C ATOM 1150 CG2 ILE A 78 -7.990 10.476 -3.497 1.00 0.00 C ATOM 1151 CD1 ILE A 78 -6.759 8.067 -2.405 1.00 0.00 C ATOM 0 H ILE A 78 -5.648 12.299 -1.143 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.998 11.300 -3.699 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.016 10.810 -1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.470 9.182 -3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.106 9.352 -1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.588 9.645 -3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.564 11.399 -3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -7.730 10.296 -4.540 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.130 7.178 -2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.190 8.156 -1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.560 7.984 -3.140 1.00 0.00 H new ATOM 1163 N VAL A 79 -6.232 12.678 -5.335 1.00 0.00 N ATOM 1164 CA VAL A 79 -6.888 13.496 -6.343 1.00 0.00 C ATOM 1165 C VAL A 79 -8.401 13.316 -6.280 1.00 0.00 C ATOM 1166 O VAL A 79 -8.964 12.394 -6.881 1.00 0.00 O ATOM 1167 CB VAL A 79 -6.392 13.163 -7.768 1.00 0.00 C ATOM 1168 CG1 VAL A 79 -7.009 14.111 -8.788 1.00 0.00 C ATOM 1169 CG2 VAL A 79 -4.872 13.218 -7.838 1.00 0.00 C ATOM 0 H VAL A 79 -5.493 12.079 -5.703 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.633 14.533 -6.125 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.708 12.148 -8.008 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.647 13.859 -9.785 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -8.095 14.017 -8.762 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.728 15.136 -8.548 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.546 12.980 -8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.532 14.219 -7.573 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.449 12.494 -7.141 1.00 0.00 H new ATOM 1179 N ILE A 80 -9.038 14.171 -5.503 1.00 0.00 N ATOM 1180 CA ILE A 80 -10.475 14.148 -5.345 1.00 0.00 C ATOM 1181 C ILE A 80 -11.101 15.296 -6.132 1.00 0.00 C ATOM 1182 O ILE A 80 -10.774 16.465 -5.910 1.00 0.00 O ATOM 1183 CB ILE A 80 -10.862 14.253 -3.854 1.00 0.00 C ATOM 1184 CG1 ILE A 80 -10.365 13.025 -3.085 1.00 0.00 C ATOM 1185 CG2 ILE A 80 -12.370 14.410 -3.690 1.00 0.00 C ATOM 1186 CD1 ILE A 80 -10.678 13.061 -1.603 1.00 0.00 C ATOM 0 H ILE A 80 -8.571 14.901 -4.964 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.852 13.201 -5.731 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.383 15.141 -3.442 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.812 12.131 -3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.286 12.938 -3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.615 14.482 -2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -12.699 15.315 -4.201 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.875 13.546 -4.122 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.295 12.158 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.208 13.935 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.757 13.116 -1.460 1.00 0.00 H new ATOM 1198 N THR A 81 -11.995 14.961 -7.045 1.00 0.00 N ATOM 1199 CA THR A 81 -12.629 15.959 -7.887 1.00 0.00 C ATOM 1200 C THR A 81 -13.737 16.686 -7.127 1.00 0.00 C ATOM 1201 O THR A 81 -13.841 17.915 -7.185 1.00 0.00 O ATOM 1202 CB THR A 81 -13.197 15.309 -9.161 1.00 0.00 C ATOM 1203 OG1 THR A 81 -12.141 14.660 -9.882 1.00 0.00 O ATOM 1204 CG2 THR A 81 -13.867 16.340 -10.055 1.00 0.00 C ATOM 0 H THR A 81 -12.299 14.004 -7.222 1.00 0.00 H new ATOM 0 HA THR A 81 -11.872 16.689 -8.174 1.00 0.00 H new ATOM 0 HB THR A 81 -13.948 14.577 -8.864 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.505 14.245 -10.692 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.258 15.849 -10.946 1.00 0.00 H new ATOM 0 HG22 THR A 81 -14.685 16.814 -9.513 1.00 0.00 H new ATOM 0 HG23 THR A 81 -13.139 17.097 -10.347 1.00 0.00 H new ATOM 1212 N GLY A 82 -14.541 15.934 -6.390 1.00 0.00 N ATOM 1213 CA GLY A 82 -15.607 16.531 -5.612 1.00 0.00 C ATOM 1214 C GLY A 82 -15.151 16.904 -4.219 1.00 0.00 C ATOM 1215 O GLY A 82 -15.727 16.458 -3.228 1.00 0.00 O ATOM 0 H GLY A 82 -14.474 14.919 -6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -15.975 17.421 -6.123 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -16.442 15.833 -5.546 1.00 0.00 H new ATOM 1219 N ALA A 83 -14.101 17.711 -4.142 1.00 0.00 N ATOM 1220 CA ALA A 83 -13.574 18.167 -2.865 1.00 0.00 C ATOM 1221 C ALA A 83 -14.086 19.571 -2.552 1.00 0.00 C ATOM 1222 O ALA A 83 -14.913 20.109 -3.288 1.00 0.00 O ATOM 1223 CB ALA A 83 -12.051 18.137 -2.880 1.00 0.00 C ATOM 0 H ALA A 83 -13.596 18.064 -4.955 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.921 17.494 -2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.671 18.481 -1.918 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -11.709 17.118 -3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.682 18.790 -3.670 1.00 0.00 H new ATOM 1229 N ASP A 84 -13.586 20.167 -1.475 1.00 0.00 N ATOM 1230 CA ASP A 84 -14.058 21.480 -1.038 1.00 0.00 C ATOM 1231 C ASP A 84 -13.435 22.599 -1.867 1.00 0.00 C ATOM 1232 O ASP A 84 -13.872 23.750 -1.804 1.00 0.00 O ATOM 1233 CB ASP A 84 -13.765 21.690 0.449 1.00 0.00 C ATOM 1234 CG ASP A 84 -12.287 21.629 0.773 1.00 0.00 C ATOM 1235 OD1 ASP A 84 -11.719 20.514 0.773 1.00 0.00 O ATOM 1236 OD2 ASP A 84 -11.685 22.690 1.030 1.00 0.00 O ATOM 0 H ASP A 84 -12.855 19.764 -0.888 1.00 0.00 H new ATOM 0 HA ASP A 84 -15.137 21.512 -1.190 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.160 22.658 0.759 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.290 20.931 1.028 1.00 0.00 H new ATOM 1241 N ARG A 85 -12.411 22.263 -2.640 1.00 0.00 N ATOM 1242 CA ARG A 85 -11.844 23.209 -3.592 1.00 0.00 C ATOM 1243 C ARG A 85 -12.813 23.414 -4.749 1.00 0.00 C ATOM 1244 O ARG A 85 -13.179 24.545 -5.063 1.00 0.00 O ATOM 1245 CB ARG A 85 -10.490 22.722 -4.112 1.00 0.00 C ATOM 1246 CG ARG A 85 -9.401 22.741 -3.055 1.00 0.00 C ATOM 1247 CD ARG A 85 -8.070 22.259 -3.609 1.00 0.00 C ATOM 1248 NE ARG A 85 -8.098 20.843 -3.977 1.00 0.00 N ATOM 1249 CZ ARG A 85 -7.179 20.259 -4.749 1.00 0.00 C ATOM 1250 NH1 ARG A 85 -6.170 20.970 -5.246 1.00 0.00 N ATOM 1251 NH2 ARG A 85 -7.265 18.961 -5.021 1.00 0.00 N ATOM 0 H ARG A 85 -11.958 21.349 -2.627 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.684 24.159 -3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.599 21.707 -4.494 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -10.184 23.347 -4.951 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.288 23.753 -2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.696 22.110 -2.217 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.807 22.854 -4.484 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.290 22.423 -2.866 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.864 20.269 -3.623 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.096 21.966 -5.037 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.470 20.519 -5.835 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -8.034 18.410 -4.640 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.562 18.516 -5.611 1.00 0.00 H new ATOM 1265 N LEU A 86 -13.236 22.298 -5.348 1.00 0.00 N ATOM 1266 CA LEU A 86 -14.214 22.282 -6.435 1.00 0.00 C ATOM 1267 C LEU A 86 -13.748 23.142 -7.619 1.00 0.00 C ATOM 1268 O LEU A 86 -13.065 22.650 -8.519 1.00 0.00 O ATOM 1269 CB LEU A 86 -15.575 22.752 -5.904 1.00 0.00 C ATOM 1270 CG LEU A 86 -16.826 22.279 -6.668 1.00 0.00 C ATOM 1271 CD1 LEU A 86 -16.897 22.858 -8.074 1.00 0.00 C ATOM 1272 CD2 LEU A 86 -16.871 20.760 -6.719 1.00 0.00 C ATOM 0 H LEU A 86 -12.904 21.369 -5.087 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.313 21.262 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -15.666 22.424 -4.869 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -15.576 23.842 -5.894 1.00 0.00 H new ATOM 0 HG LEU A 86 -17.695 22.647 -6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -17.796 22.495 -8.572 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -16.927 23.946 -8.018 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -16.019 22.548 -8.640 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -17.760 20.440 -7.262 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -15.982 20.387 -7.227 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -16.903 20.363 -5.704 1.00 0.00 H new ATOM 1284 N LYS A 87 -14.107 24.423 -7.604 1.00 0.00 N ATOM 1285 CA LYS A 87 -13.723 25.348 -8.659 1.00 0.00 C ATOM 1286 C LYS A 87 -13.736 26.766 -8.106 1.00 0.00 C ATOM 1287 O LYS A 87 -14.757 27.234 -7.604 1.00 0.00 O ATOM 1288 CB LYS A 87 -14.674 25.233 -9.861 1.00 0.00 C ATOM 1289 CG LYS A 87 -14.174 25.950 -11.109 1.00 0.00 C ATOM 1290 CD LYS A 87 -15.065 25.689 -12.321 1.00 0.00 C ATOM 1291 CE LYS A 87 -16.213 26.691 -12.441 1.00 0.00 C ATOM 1292 NZ LYS A 87 -17.209 26.567 -11.342 1.00 0.00 N ATOM 0 H LYS A 87 -14.669 24.844 -6.864 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.719 25.099 -9.004 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.825 24.179 -10.094 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.646 25.640 -9.584 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.130 27.022 -10.917 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.158 25.624 -11.331 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.459 25.728 -13.226 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.474 24.681 -12.255 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.807 27.702 -12.443 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.715 26.547 -13.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.137 26.897 -11.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.281 25.572 -11.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.906 27.145 -10.532 1.00 0.00 H new ATOM 1306 N ARG A 88 -12.605 27.445 -8.193 1.00 0.00 N ATOM 1307 CA ARG A 88 -12.465 28.767 -7.595 1.00 0.00 C ATOM 1308 C ARG A 88 -12.338 29.839 -8.677 1.00 0.00 C ATOM 1309 O ARG A 88 -11.668 30.854 -8.477 1.00 0.00 O ATOM 1310 CB ARG A 88 -11.242 28.788 -6.662 1.00 0.00 C ATOM 1311 CG ARG A 88 -9.910 28.634 -7.379 1.00 0.00 C ATOM 1312 CD ARG A 88 -8.762 28.396 -6.407 1.00 0.00 C ATOM 1313 NE ARG A 88 -8.751 29.347 -5.298 1.00 0.00 N ATOM 1314 CZ ARG A 88 -7.725 30.149 -5.008 1.00 0.00 C ATOM 1315 NH1 ARG A 88 -6.673 30.229 -5.820 1.00 0.00 N ATOM 1316 NH2 ARG A 88 -7.761 30.895 -3.913 1.00 0.00 N ATOM 0 H ARG A 88 -11.770 27.106 -8.671 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.358 28.986 -7.010 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.238 29.727 -6.108 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.343 27.986 -5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -9.970 27.801 -8.080 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -9.708 29.530 -7.965 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -8.832 27.383 -6.010 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -7.817 28.462 -6.946 1.00 0.00 H new ATOM 0 HE ARG A 88 -9.581 29.401 -4.708 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.645 29.673 -6.675 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.895 30.846 -5.587 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -8.571 30.855 -3.295 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.978 31.509 -3.688 1.00 0.00 H new ATOM 1330 N MET A 89 -13.013 29.606 -9.813 1.00 0.00 N ATOM 1331 CA MET A 89 -12.935 30.481 -10.997 1.00 0.00 C ATOM 1332 C MET A 89 -11.567 30.369 -11.662 1.00 0.00 C ATOM 1333 O MET A 89 -11.465 30.072 -12.853 1.00 0.00 O ATOM 1334 CB MET A 89 -13.239 31.944 -10.640 1.00 0.00 C ATOM 1335 CG MET A 89 -14.659 32.175 -10.154 1.00 0.00 C ATOM 1336 SD MET A 89 -14.947 33.885 -9.655 1.00 0.00 S ATOM 1337 CE MET A 89 -16.682 33.812 -9.217 1.00 0.00 C ATOM 0 H MET A 89 -13.630 28.804 -9.939 1.00 0.00 H new ATOM 0 HA MET A 89 -13.695 30.145 -11.702 1.00 0.00 H new ATOM 0 HB2 MET A 89 -12.543 32.272 -9.868 1.00 0.00 H new ATOM 0 HB3 MET A 89 -13.059 32.567 -11.516 1.00 0.00 H new ATOM 0 HG2 MET A 89 -15.359 31.908 -10.946 1.00 0.00 H new ATOM 0 HG3 MET A 89 -14.864 31.514 -9.311 1.00 0.00 H new ATOM 0 HE1 MET A 89 -17.015 34.796 -8.886 1.00 0.00 H new ATOM 0 HE2 MET A 89 -17.264 33.505 -10.086 1.00 0.00 H new ATOM 0 HE3 MET A 89 -16.824 33.091 -8.412 1.00 0.00 H new ATOM 1347 N GLU A 90 -10.529 30.613 -10.877 1.00 0.00 N ATOM 1348 CA GLU A 90 -9.154 30.453 -11.317 1.00 0.00 C ATOM 1349 C GLU A 90 -8.876 29.001 -11.684 1.00 0.00 C ATOM 1350 O GLU A 90 -8.685 28.662 -12.853 1.00 0.00 O ATOM 1351 CB GLU A 90 -8.213 30.877 -10.192 1.00 0.00 C ATOM 1352 CG GLU A 90 -6.751 30.561 -10.450 1.00 0.00 C ATOM 1353 CD GLU A 90 -5.911 30.720 -9.207 1.00 0.00 C ATOM 1354 OE1 GLU A 90 -5.870 29.779 -8.387 1.00 0.00 O ATOM 1355 OE2 GLU A 90 -5.292 31.789 -9.041 1.00 0.00 O ATOM 0 H GLU A 90 -10.619 30.929 -9.911 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.991 31.076 -12.197 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.318 31.950 -10.031 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.522 30.384 -9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.661 29.540 -10.821 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.370 31.219 -11.232 1.00 0.00 H new ATOM 1362 N LYS A 91 -8.860 28.147 -10.670 1.00 0.00 N ATOM 1363 CA LYS A 91 -8.555 26.744 -10.863 1.00 0.00 C ATOM 1364 C LYS A 91 -9.778 25.972 -11.325 1.00 0.00 C ATOM 1365 O LYS A 91 -10.776 25.857 -10.608 1.00 0.00 O ATOM 1366 CB LYS A 91 -7.992 26.119 -9.589 1.00 0.00 C ATOM 1367 CG LYS A 91 -6.591 26.600 -9.253 1.00 0.00 C ATOM 1368 CD LYS A 91 -5.961 25.764 -8.147 1.00 0.00 C ATOM 1369 CE LYS A 91 -5.893 24.287 -8.522 1.00 0.00 C ATOM 1370 NZ LYS A 91 -5.099 24.051 -9.761 1.00 0.00 N ATOM 0 H LYS A 91 -9.056 28.407 -9.703 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.795 26.685 -11.642 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.657 26.347 -8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.980 25.035 -9.699 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.966 26.554 -10.145 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.629 27.644 -8.944 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.956 26.133 -7.940 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.539 25.880 -7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.451 23.726 -7.698 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.904 23.904 -8.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.982 23.028 -9.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.596 24.464 -10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.164 24.496 -9.664 1.00 0.00 H new ATOM 1384 N ASN A 92 -9.682 25.470 -12.539 1.00 0.00 N ATOM 1385 CA ASN A 92 -10.699 24.614 -13.124 1.00 0.00 C ATOM 1386 C ASN A 92 -10.121 23.217 -13.307 1.00 0.00 C ATOM 1387 O ASN A 92 -8.933 23.074 -13.611 1.00 0.00 O ATOM 1388 CB ASN A 92 -11.156 25.190 -14.467 1.00 0.00 C ATOM 1389 CG ASN A 92 -12.235 24.358 -15.135 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -13.042 23.702 -14.469 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -12.261 24.383 -16.459 1.00 0.00 N ATOM 0 H ASN A 92 -8.888 25.645 -13.155 1.00 0.00 H new ATOM 0 HA ASN A 92 -11.565 24.560 -12.465 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -11.529 26.202 -14.313 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -10.298 25.265 -15.135 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.966 23.847 -16.965 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -11.576 24.938 -16.972 1.00 0.00 H new ATOM 1398 N GLY A 93 -10.935 22.197 -13.081 1.00 0.00 N ATOM 1399 CA GLY A 93 -10.464 20.833 -13.215 1.00 0.00 C ATOM 1400 C GLY A 93 -10.298 20.417 -14.664 1.00 0.00 C ATOM 1401 O GLY A 93 -10.303 21.259 -15.563 1.00 0.00 O ATOM 0 H GLY A 93 -11.913 22.289 -12.807 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.510 20.729 -12.699 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -11.167 20.159 -12.725 1.00 0.00 H new ATOM 1405 N MET A 94 -10.161 19.120 -14.898 1.00 0.00 N ATOM 1406 CA MET A 94 -10.006 18.600 -16.251 1.00 0.00 C ATOM 1407 C MET A 94 -11.359 18.532 -16.956 1.00 0.00 C ATOM 1408 O MET A 94 -11.807 17.470 -17.396 1.00 0.00 O ATOM 1409 CB MET A 94 -9.317 17.225 -16.243 1.00 0.00 C ATOM 1410 CG MET A 94 -9.913 16.214 -15.267 1.00 0.00 C ATOM 1411 SD MET A 94 -9.481 16.551 -13.541 1.00 0.00 S ATOM 1412 CE MET A 94 -7.694 16.420 -13.607 1.00 0.00 C ATOM 0 H MET A 94 -10.154 18.407 -14.169 1.00 0.00 H new ATOM 0 HA MET A 94 -9.365 19.285 -16.806 1.00 0.00 H new ATOM 0 HB2 MET A 94 -9.361 16.807 -17.249 1.00 0.00 H new ATOM 0 HB3 MET A 94 -8.263 17.364 -16.001 1.00 0.00 H new ATOM 0 HG2 MET A 94 -10.998 16.215 -15.370 1.00 0.00 H new ATOM 0 HG3 MET A 94 -9.568 15.215 -15.533 1.00 0.00 H new ATOM 0 HE1 MET A 94 -7.312 16.159 -12.620 1.00 0.00 H new ATOM 0 HE2 MET A 94 -7.412 15.647 -14.322 1.00 0.00 H new ATOM 0 HE3 MET A 94 -7.270 17.375 -13.919 1.00 0.00 H new ATOM 1422 N ARG A 95 -11.998 19.686 -17.053 1.00 0.00 N ATOM 1423 CA ARG A 95 -13.290 19.817 -17.700 1.00 0.00 C ATOM 1424 C ARG A 95 -13.377 21.185 -18.356 1.00 0.00 C ATOM 1425 O ARG A 95 -12.588 22.074 -18.041 1.00 0.00 O ATOM 1426 CB ARG A 95 -14.422 19.649 -16.678 1.00 0.00 C ATOM 1427 CG ARG A 95 -14.444 20.728 -15.599 1.00 0.00 C ATOM 1428 CD ARG A 95 -15.611 20.541 -14.641 1.00 0.00 C ATOM 1429 NE ARG A 95 -15.539 19.270 -13.923 1.00 0.00 N ATOM 1430 CZ ARG A 95 -16.588 18.483 -13.687 1.00 0.00 C ATOM 1431 NH1 ARG A 95 -17.796 18.836 -14.107 1.00 0.00 N ATOM 1432 NH2 ARG A 95 -16.426 17.342 -13.030 1.00 0.00 N ATOM 0 H ARG A 95 -11.631 20.563 -16.682 1.00 0.00 H new ATOM 0 HA ARG A 95 -13.396 19.039 -18.456 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -15.377 19.655 -17.204 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -14.326 18.674 -16.201 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -13.508 20.704 -15.041 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -14.511 21.710 -16.067 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -15.624 21.361 -13.923 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -16.547 20.589 -15.198 1.00 0.00 H new ATOM 0 HE ARG A 95 -14.628 18.966 -13.581 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -17.924 19.713 -14.613 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -18.596 18.231 -13.924 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -15.499 17.067 -12.706 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -17.229 16.739 -12.849 1.00 0.00 H new ATOM 1446 N TYR A 96 -14.309 21.355 -19.273 1.00 0.00 N ATOM 1447 CA TYR A 96 -14.506 22.643 -19.904 1.00 0.00 C ATOM 1448 C TYR A 96 -15.936 23.098 -19.657 1.00 0.00 C ATOM 1449 O TYR A 96 -16.863 22.300 -19.780 1.00 0.00 O ATOM 1450 CB TYR A 96 -14.216 22.556 -21.403 1.00 0.00 C ATOM 1451 CG TYR A 96 -13.923 23.894 -22.039 1.00 0.00 C ATOM 1452 CD1 TYR A 96 -12.722 24.543 -21.791 1.00 0.00 C ATOM 1453 CD2 TYR A 96 -14.839 24.508 -22.886 1.00 0.00 C ATOM 1454 CE1 TYR A 96 -12.441 25.768 -22.361 1.00 0.00 C ATOM 1455 CE2 TYR A 96 -14.565 25.734 -23.461 1.00 0.00 C ATOM 1456 CZ TYR A 96 -13.366 26.359 -23.197 1.00 0.00 C ATOM 1457 OH TYR A 96 -13.088 27.581 -23.767 1.00 0.00 O ATOM 0 H TYR A 96 -14.939 20.620 -19.596 1.00 0.00 H new ATOM 0 HA TYR A 96 -13.816 23.370 -19.475 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -13.366 21.893 -21.563 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -15.071 22.104 -21.905 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -11.994 24.081 -21.140 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -15.779 24.019 -23.098 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -11.503 26.261 -22.154 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -15.287 26.200 -24.114 1.00 0.00 H new ATOM 0 HH TYR A 96 -13.841 27.858 -24.329 1.00 0.00 H new ATOM 1467 N ALA A 97 -16.108 24.355 -19.283 1.00 0.00 N ATOM 1468 CA ALA A 97 -17.429 24.891 -18.991 1.00 0.00 C ATOM 1469 C ALA A 97 -18.154 25.245 -20.282 1.00 0.00 C ATOM 1470 O ALA A 97 -17.833 26.239 -20.935 1.00 0.00 O ATOM 1471 CB ALA A 97 -17.320 26.105 -18.084 1.00 0.00 C ATOM 0 H ALA A 97 -15.347 25.026 -19.174 1.00 0.00 H new ATOM 0 HA ALA A 97 -18.008 24.128 -18.471 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -18.317 26.494 -17.875 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -16.839 25.818 -17.149 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -16.726 26.875 -18.576 1.00 0.00 H new ATOM 1477 N PRO A 98 -19.149 24.436 -20.667 1.00 0.00 N ATOM 1478 CA PRO A 98 -19.852 24.604 -21.931 1.00 0.00 C ATOM 1479 C PRO A 98 -20.961 25.645 -21.834 1.00 0.00 C ATOM 1480 O PRO A 98 -21.643 25.942 -22.818 1.00 0.00 O ATOM 1481 CB PRO A 98 -20.415 23.207 -22.174 1.00 0.00 C ATOM 1482 CG PRO A 98 -20.712 22.686 -20.811 1.00 0.00 C ATOM 1483 CD PRO A 98 -19.678 23.289 -19.895 1.00 0.00 C ATOM 0 HA PRO A 98 -19.212 24.967 -22.736 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -21.313 23.242 -22.791 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -19.696 22.574 -22.694 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -21.718 22.965 -20.499 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -20.662 21.597 -20.791 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -20.118 23.611 -18.951 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -18.892 22.573 -19.652 1.00 0.00 H new ATOM 1491 N GLY A 99 -21.127 26.202 -20.642 1.00 0.00 N ATOM 1492 CA GLY A 99 -22.126 27.226 -20.430 1.00 0.00 C ATOM 1493 C GLY A 99 -21.520 28.512 -19.915 1.00 0.00 C ATOM 1494 O GLY A 99 -22.210 29.329 -19.306 1.00 0.00 O ATOM 0 H GLY A 99 -20.583 25.960 -19.814 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -22.649 27.421 -21.366 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -22.869 26.865 -19.719 1.00 0.00 H new ATOM 1498 N GLU A 100 -20.225 28.692 -20.143 1.00 0.00 N ATOM 1499 CA GLU A 100 -19.546 29.907 -19.722 1.00 0.00 C ATOM 1500 C GLU A 100 -19.320 30.819 -20.918 1.00 0.00 C ATOM 1501 O GLU A 100 -19.934 31.904 -20.957 1.00 0.00 O ATOM 1502 CB GLU A 100 -18.212 29.589 -19.036 1.00 0.00 C ATOM 1503 CG GLU A 100 -17.510 30.821 -18.484 1.00 0.00 C ATOM 1504 CD GLU A 100 -16.299 30.485 -17.635 1.00 0.00 C ATOM 1505 OE1 GLU A 100 -16.483 30.011 -16.496 1.00 0.00 O ATOM 1506 OE2 GLU A 100 -15.159 30.721 -18.090 1.00 0.00 O ATOM 1507 OXT GLU A 100 -18.565 30.431 -21.834 1.00 0.00 O ATOM 0 H GLU A 100 -19.627 28.014 -20.615 1.00 0.00 H new ATOM 0 HA GLU A 100 -20.181 30.418 -18.998 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -18.388 28.885 -18.223 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.554 29.093 -19.749 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -17.200 31.457 -19.313 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -18.216 31.397 -17.887 1.00 0.00 H new TER 1514 GLU A 100