USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 HIS : no HD1:sc= -0.257 K(o=-0.26,f=-0.88) USER MOD Set 1.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -153:sc= -0.0441 (180deg=-0.127) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.496 (180deg=0.0404) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -173:sc= -1.69 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0515 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 86:sc= 0.557 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 0:sc= -1.06 USER MOD Single : A 50 THR OG1 : rot -150:sc= -0.9 USER MOD Single : A 53 LYS NZ :NH3+ 169:sc= -0.292 (180deg=-0.515) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.00366 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -115:sc= 0.0161 (180deg=-0.000923) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0595 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.632 X(o=-0.63,f=-0.21) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.919 17.763 8.615 1.00 0.00 N ATOM 2 CA MET A 1 -13.672 16.967 8.760 1.00 0.00 C ATOM 3 C MET A 1 -13.675 15.760 7.826 1.00 0.00 C ATOM 4 O MET A 1 -14.689 15.077 7.684 1.00 0.00 O ATOM 5 CB MET A 1 -13.553 16.507 10.214 1.00 0.00 C ATOM 6 CG MET A 1 -13.260 17.638 11.186 1.00 0.00 C ATOM 7 SD MET A 1 -14.756 18.323 11.923 1.00 0.00 S ATOM 8 CE MET A 1 -14.560 20.060 11.532 1.00 0.00 C ATOM 0 H1 MET A 1 -15.210 18.125 9.545 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.748 18.561 7.970 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.673 17.160 8.228 1.00 0.00 H new ATOM 0 HA MET A 1 -12.818 17.589 8.490 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.481 16.017 10.509 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.761 15.761 10.287 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.605 17.272 11.976 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.721 18.429 10.665 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.085 20.661 12.274 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.501 20.317 11.540 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.975 20.260 10.544 1.00 0.00 H new ATOM 20 N THR A 2 -12.535 15.506 7.195 1.00 0.00 N ATOM 21 CA THR A 2 -12.405 14.380 6.275 1.00 0.00 C ATOM 22 C THR A 2 -11.134 13.589 6.566 1.00 0.00 C ATOM 23 O THR A 2 -10.062 13.904 6.050 1.00 0.00 O ATOM 24 CB THR A 2 -12.391 14.876 4.829 1.00 0.00 C ATOM 25 OG1 THR A 2 -11.798 16.159 4.743 1.00 0.00 O ATOM 26 CG2 THR A 2 -13.770 14.964 4.213 1.00 0.00 C ATOM 0 H THR A 2 -11.687 16.063 7.303 1.00 0.00 H new ATOM 0 HA THR A 2 -13.263 13.723 6.417 1.00 0.00 H new ATOM 0 HB THR A 2 -11.811 14.137 4.277 1.00 0.00 H new ATOM 0 HG1 THR A 2 -11.797 16.457 3.809 1.00 0.00 H new ATOM 0 HG21 THR A 2 -13.688 15.322 3.187 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.234 13.978 4.217 1.00 0.00 H new ATOM 0 HG23 THR A 2 -14.383 15.655 4.791 1.00 0.00 H new ATOM 34 N ARG A 3 -11.261 12.560 7.397 1.00 0.00 N ATOM 35 CA ARG A 3 -10.123 11.723 7.758 1.00 0.00 C ATOM 36 C ARG A 3 -9.830 10.700 6.665 1.00 0.00 C ATOM 37 O ARG A 3 -10.641 10.491 5.762 1.00 0.00 O ATOM 38 CB ARG A 3 -10.390 11.009 9.087 1.00 0.00 C ATOM 39 CG ARG A 3 -9.472 11.459 10.212 1.00 0.00 C ATOM 40 CD ARG A 3 -8.286 10.522 10.370 1.00 0.00 C ATOM 41 NE ARG A 3 -7.493 10.836 11.555 1.00 0.00 N ATOM 42 CZ ARG A 3 -6.270 10.360 11.777 1.00 0.00 C ATOM 43 NH1 ARG A 3 -5.696 9.551 10.896 1.00 0.00 N ATOM 44 NH2 ARG A 3 -5.618 10.696 12.882 1.00 0.00 N ATOM 0 H ARG A 3 -12.141 12.286 7.833 1.00 0.00 H new ATOM 0 HA ARG A 3 -9.250 12.367 7.869 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.425 11.182 9.382 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.275 9.935 8.943 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -9.115 12.469 10.010 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.032 11.500 11.146 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.643 9.494 10.435 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.654 10.585 9.484 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.900 11.457 12.254 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.192 9.291 10.044 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.759 9.189 11.071 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.054 11.319 13.562 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.681 10.331 13.052 1.00 0.00 H new ATOM 58 N TRP A 4 -8.665 10.066 6.753 1.00 0.00 N ATOM 59 CA TRP A 4 -8.261 9.065 5.771 1.00 0.00 C ATOM 60 C TRP A 4 -9.182 7.848 5.827 1.00 0.00 C ATOM 61 O TRP A 4 -9.175 7.097 6.804 1.00 0.00 O ATOM 62 CB TRP A 4 -6.809 8.643 6.009 1.00 0.00 C ATOM 63 CG TRP A 4 -5.955 8.742 4.783 1.00 0.00 C ATOM 64 CD1 TRP A 4 -5.931 9.762 3.882 1.00 0.00 C ATOM 65 CD2 TRP A 4 -5.000 7.784 4.324 1.00 0.00 C ATOM 66 NE1 TRP A 4 -5.022 9.498 2.888 1.00 0.00 N ATOM 67 CE2 TRP A 4 -4.436 8.285 3.137 1.00 0.00 C ATOM 68 CE3 TRP A 4 -4.570 6.551 4.803 1.00 0.00 C ATOM 69 CZ2 TRP A 4 -3.463 7.590 2.424 1.00 0.00 C ATOM 70 CZ3 TRP A 4 -3.604 5.858 4.097 1.00 0.00 C ATOM 71 CH2 TRP A 4 -3.058 6.380 2.918 1.00 0.00 C ATOM 0 H TRP A 4 -7.984 10.228 7.495 1.00 0.00 H new ATOM 0 HA TRP A 4 -8.340 9.509 4.778 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.380 9.267 6.793 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -6.791 7.616 6.374 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -6.540 10.652 3.941 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.817 10.105 2.094 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -4.984 6.141 5.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -3.043 7.991 1.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.265 4.899 4.461 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.303 5.817 2.389 1.00 0.00 H new ATOM 82 N VAL A 5 -9.973 7.661 4.775 1.00 0.00 N ATOM 83 CA VAL A 5 -10.904 6.539 4.706 1.00 0.00 C ATOM 84 C VAL A 5 -10.173 5.202 4.822 1.00 0.00 C ATOM 85 O VAL A 5 -9.184 4.965 4.128 1.00 0.00 O ATOM 86 CB VAL A 5 -11.712 6.550 3.393 1.00 0.00 C ATOM 87 CG1 VAL A 5 -12.862 7.541 3.480 1.00 0.00 C ATOM 88 CG2 VAL A 5 -10.813 6.867 2.206 1.00 0.00 C ATOM 0 H VAL A 5 -9.988 8.272 3.958 1.00 0.00 H new ATOM 0 HA VAL A 5 -11.588 6.653 5.547 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.130 5.555 3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.420 7.534 2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -13.524 7.259 4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.468 8.541 3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.406 6.869 1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.358 7.848 2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.031 6.112 2.130 1.00 0.00 H new ATOM 98 N PRO A 6 -10.658 4.301 5.697 1.00 0.00 N ATOM 99 CA PRO A 6 -10.048 2.984 5.889 1.00 0.00 C ATOM 100 C PRO A 6 -10.420 2.011 4.776 1.00 0.00 C ATOM 101 O PRO A 6 -11.304 2.291 3.966 1.00 0.00 O ATOM 102 CB PRO A 6 -10.634 2.525 7.222 1.00 0.00 C ATOM 103 CG PRO A 6 -11.974 3.172 7.281 1.00 0.00 C ATOM 104 CD PRO A 6 -11.840 4.490 6.563 1.00 0.00 C ATOM 0 HA PRO A 6 -8.959 3.025 5.877 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.715 1.439 7.267 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.007 2.833 8.059 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.729 2.546 6.806 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.288 3.322 8.314 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.731 4.720 5.979 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.696 5.314 7.262 1.00 0.00 H new ATOM 112 N THR A 7 -9.746 0.867 4.742 1.00 0.00 N ATOM 113 CA THR A 7 -10.013 -0.143 3.724 1.00 0.00 C ATOM 114 C THR A 7 -10.264 -1.506 4.364 1.00 0.00 C ATOM 115 O THR A 7 -9.343 -2.305 4.534 1.00 0.00 O ATOM 116 CB THR A 7 -8.846 -0.229 2.735 1.00 0.00 C ATOM 117 OG1 THR A 7 -7.829 0.696 3.075 1.00 0.00 O ATOM 118 CG2 THR A 7 -9.260 0.050 1.306 1.00 0.00 C ATOM 0 H THR A 7 -9.013 0.616 5.405 1.00 0.00 H new ATOM 0 HA THR A 7 -10.911 0.152 3.181 1.00 0.00 H new ATOM 0 HB THR A 7 -8.482 -1.254 2.802 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.142 0.699 2.376 1.00 0.00 H new ATOM 0 HG21 THR A 7 -8.390 -0.026 0.654 1.00 0.00 H new ATOM 0 HG22 THR A 7 -10.011 -0.677 0.996 1.00 0.00 H new ATOM 0 HG23 THR A 7 -9.678 1.054 1.238 1.00 0.00 H new ATOM 126 N LYS A 8 -11.519 -1.760 4.720 1.00 0.00 N ATOM 127 CA LYS A 8 -11.900 -3.022 5.343 1.00 0.00 C ATOM 128 C LYS A 8 -12.717 -3.879 4.381 1.00 0.00 C ATOM 129 O LYS A 8 -12.954 -3.492 3.237 1.00 0.00 O ATOM 130 CB LYS A 8 -12.702 -2.763 6.622 1.00 0.00 C ATOM 131 CG LYS A 8 -12.356 -3.713 7.758 1.00 0.00 C ATOM 132 CD LYS A 8 -11.488 -3.038 8.806 1.00 0.00 C ATOM 133 CE LYS A 8 -10.007 -3.209 8.504 1.00 0.00 C ATOM 134 NZ LYS A 8 -9.315 -1.899 8.356 1.00 0.00 N ATOM 0 H LYS A 8 -12.291 -1.107 4.587 1.00 0.00 H new ATOM 0 HA LYS A 8 -10.988 -3.562 5.598 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -12.527 -1.738 6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.765 -2.849 6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.273 -4.075 8.223 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.835 -4.584 7.359 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.730 -1.976 8.850 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.710 -3.457 9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.537 -3.779 9.305 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.888 -3.788 7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.308 -2.059 8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.747 -1.365 7.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.406 -1.356 9.239 1.00 0.00 H new ATOM 148 N ARG A 9 -13.142 -5.048 4.854 1.00 0.00 N ATOM 149 CA ARG A 9 -13.929 -5.966 4.040 1.00 0.00 C ATOM 150 C ARG A 9 -13.130 -6.444 2.831 1.00 0.00 C ATOM 151 O ARG A 9 -13.514 -6.214 1.684 1.00 0.00 O ATOM 152 CB ARG A 9 -15.227 -5.297 3.579 1.00 0.00 C ATOM 153 CG ARG A 9 -16.243 -5.108 4.694 1.00 0.00 C ATOM 154 CD ARG A 9 -17.309 -4.091 4.313 1.00 0.00 C ATOM 155 NE ARG A 9 -17.475 -3.063 5.339 1.00 0.00 N ATOM 156 CZ ARG A 9 -18.063 -1.889 5.121 1.00 0.00 C ATOM 157 NH1 ARG A 9 -18.541 -1.589 3.919 1.00 0.00 N ATOM 158 NH2 ARG A 9 -18.173 -1.010 6.109 1.00 0.00 N ATOM 0 H ARG A 9 -12.953 -5.381 5.799 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.177 -6.831 4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.991 -4.325 3.145 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.675 -5.899 2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.716 -6.063 4.922 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.733 -4.780 5.600 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.040 -3.620 3.368 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -18.258 -4.603 4.155 1.00 0.00 H new ATOM 0 HE ARG A 9 -17.120 -3.256 6.275 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -18.459 -2.260 3.155 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -18.990 -0.687 3.759 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.807 -1.234 7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -18.623 -0.110 5.943 1.00 0.00 H new ATOM 172 N GLU A 10 -12.014 -7.113 3.100 1.00 0.00 N ATOM 173 CA GLU A 10 -11.155 -7.627 2.039 1.00 0.00 C ATOM 174 C GLU A 10 -10.431 -8.889 2.496 1.00 0.00 C ATOM 175 O GLU A 10 -10.564 -9.950 1.885 1.00 0.00 O ATOM 176 CB GLU A 10 -10.140 -6.564 1.616 1.00 0.00 C ATOM 177 CG GLU A 10 -10.558 -5.778 0.384 1.00 0.00 C ATOM 178 CD GLU A 10 -9.410 -5.001 -0.228 1.00 0.00 C ATOM 179 OE1 GLU A 10 -8.637 -4.383 0.534 1.00 0.00 O ATOM 180 OE2 GLU A 10 -9.284 -5.008 -1.472 1.00 0.00 O ATOM 0 H GLU A 10 -11.683 -7.312 4.044 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.782 -7.878 1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.986 -5.871 2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.182 -7.046 1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.965 -6.464 -0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.357 -5.087 0.652 1.00 0.00 H new ATOM 187 N GLU A 11 -9.665 -8.766 3.575 1.00 0.00 N ATOM 188 CA GLU A 11 -8.917 -9.895 4.120 1.00 0.00 C ATOM 189 C GLU A 11 -8.020 -10.521 3.057 1.00 0.00 C ATOM 190 O GLU A 11 -7.741 -11.719 3.092 1.00 0.00 O ATOM 191 CB GLU A 11 -9.878 -10.948 4.676 1.00 0.00 C ATOM 192 CG GLU A 11 -9.212 -11.951 5.602 1.00 0.00 C ATOM 193 CD GLU A 11 -10.181 -12.560 6.597 1.00 0.00 C ATOM 194 OE1 GLU A 11 -10.948 -11.797 7.221 1.00 0.00 O ATOM 195 OE2 GLU A 11 -10.173 -13.799 6.750 1.00 0.00 O ATOM 0 H GLU A 11 -9.545 -7.894 4.091 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.286 -9.524 4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.681 -10.446 5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.338 -11.483 3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.761 -12.745 5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.403 -11.459 6.143 1.00 0.00 H new ATOM 202 N LYS A 12 -7.568 -9.702 2.113 1.00 0.00 N ATOM 203 CA LYS A 12 -6.701 -10.176 1.041 1.00 0.00 C ATOM 204 C LYS A 12 -5.697 -9.101 0.637 1.00 0.00 C ATOM 205 O LYS A 12 -6.023 -7.915 0.605 1.00 0.00 O ATOM 206 CB LYS A 12 -7.536 -10.594 -0.172 1.00 0.00 C ATOM 207 CG LYS A 12 -7.917 -12.065 -0.170 1.00 0.00 C ATOM 208 CD LYS A 12 -9.357 -12.270 0.273 1.00 0.00 C ATOM 209 CE LYS A 12 -9.873 -13.644 -0.122 1.00 0.00 C ATOM 210 NZ LYS A 12 -9.541 -14.676 0.898 1.00 0.00 N ATOM 0 H LYS A 12 -7.788 -8.707 2.069 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.150 -11.041 1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.444 -9.992 -0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.977 -10.373 -1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.781 -12.478 -1.170 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.250 -12.613 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.426 -12.152 1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.988 -11.501 -0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.954 -13.601 -0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.444 -13.931 -1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.910 -15.599 0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.509 -14.735 1.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.972 -14.416 1.808 1.00 0.00 H new ATOM 224 N TYR A 13 -4.478 -9.526 0.326 1.00 0.00 N ATOM 225 CA TYR A 13 -3.425 -8.600 -0.080 1.00 0.00 C ATOM 226 C TYR A 13 -3.215 -8.648 -1.589 1.00 0.00 C ATOM 227 O TYR A 13 -3.850 -9.438 -2.289 1.00 0.00 O ATOM 228 CB TYR A 13 -2.115 -8.927 0.643 1.00 0.00 C ATOM 229 CG TYR A 13 -1.845 -10.409 0.784 1.00 0.00 C ATOM 230 CD1 TYR A 13 -1.842 -11.245 -0.326 1.00 0.00 C ATOM 231 CD2 TYR A 13 -1.592 -10.971 2.029 1.00 0.00 C ATOM 232 CE1 TYR A 13 -1.595 -12.598 -0.199 1.00 0.00 C ATOM 233 CE2 TYR A 13 -1.346 -12.324 2.164 1.00 0.00 C ATOM 234 CZ TYR A 13 -1.348 -13.133 1.048 1.00 0.00 C ATOM 235 OH TYR A 13 -1.102 -14.480 1.178 1.00 0.00 O ATOM 0 H TYR A 13 -4.193 -10.505 0.347 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.736 -7.592 0.195 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.288 -8.467 0.102 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.137 -8.476 1.635 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.036 -10.830 -1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.588 -10.340 2.906 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.595 -13.234 -1.072 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.153 -12.746 3.139 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.946 -14.695 2.121 1.00 0.00 H new ATOM 245 N GLY A 14 -2.321 -7.801 -2.085 1.00 0.00 N ATOM 246 CA GLY A 14 -2.047 -7.765 -3.509 1.00 0.00 C ATOM 247 C GLY A 14 -0.573 -7.584 -3.813 1.00 0.00 C ATOM 248 O GLY A 14 0.238 -7.405 -2.904 1.00 0.00 O ATOM 0 H GLY A 14 -1.781 -7.139 -1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.398 -8.690 -3.967 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.611 -6.951 -3.964 1.00 0.00 H new ATOM 252 N VAL A 15 -0.227 -7.629 -5.094 1.00 0.00 N ATOM 253 CA VAL A 15 1.156 -7.466 -5.519 1.00 0.00 C ATOM 254 C VAL A 15 1.417 -6.039 -5.987 1.00 0.00 C ATOM 255 O VAL A 15 0.535 -5.389 -6.549 1.00 0.00 O ATOM 256 CB VAL A 15 1.516 -8.444 -6.655 1.00 0.00 C ATOM 257 CG1 VAL A 15 2.998 -8.362 -6.984 1.00 0.00 C ATOM 258 CG2 VAL A 15 1.123 -9.866 -6.282 1.00 0.00 C ATOM 0 H VAL A 15 -0.887 -7.777 -5.857 1.00 0.00 H new ATOM 0 HA VAL A 15 1.783 -7.684 -4.654 1.00 0.00 H new ATOM 0 HB VAL A 15 0.955 -8.158 -7.545 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.231 -9.060 -7.788 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.245 -7.349 -7.300 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.582 -8.619 -6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.385 -10.541 -7.096 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.653 -10.165 -5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.049 -9.912 -6.104 1.00 0.00 H new ATOM 268 N ALA A 16 2.631 -5.557 -5.748 1.00 0.00 N ATOM 269 CA ALA A 16 3.005 -4.204 -6.142 1.00 0.00 C ATOM 270 C ALA A 16 4.214 -4.215 -7.069 1.00 0.00 C ATOM 271 O ALA A 16 5.339 -4.452 -6.631 1.00 0.00 O ATOM 272 CB ALA A 16 3.299 -3.363 -4.908 1.00 0.00 C ATOM 0 H ALA A 16 3.372 -6.082 -5.284 1.00 0.00 H new ATOM 0 HA ALA A 16 2.167 -3.765 -6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.577 -2.354 -5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.411 -3.319 -4.277 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.120 -3.812 -4.349 1.00 0.00 H new ATOM 278 N PHE A 17 3.982 -3.949 -8.352 1.00 0.00 N ATOM 279 CA PHE A 17 5.068 -3.924 -9.322 1.00 0.00 C ATOM 280 C PHE A 17 5.593 -2.505 -9.499 1.00 0.00 C ATOM 281 O PHE A 17 5.090 -1.744 -10.325 1.00 0.00 O ATOM 282 CB PHE A 17 4.603 -4.477 -10.675 1.00 0.00 C ATOM 283 CG PHE A 17 3.226 -4.028 -11.076 1.00 0.00 C ATOM 284 CD1 PHE A 17 2.109 -4.758 -10.702 1.00 0.00 C ATOM 285 CD2 PHE A 17 3.049 -2.876 -11.826 1.00 0.00 C ATOM 286 CE1 PHE A 17 0.841 -4.349 -11.070 1.00 0.00 C ATOM 287 CE2 PHE A 17 1.783 -2.462 -12.197 1.00 0.00 C ATOM 288 CZ PHE A 17 0.679 -3.200 -11.818 1.00 0.00 C ATOM 0 H PHE A 17 3.060 -3.750 -8.739 1.00 0.00 H new ATOM 0 HA PHE A 17 5.871 -4.556 -8.943 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.312 -4.172 -11.444 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.623 -5.566 -10.637 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.231 -5.657 -10.116 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.909 -2.295 -12.124 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.021 -4.927 -10.773 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.658 -1.563 -12.782 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.311 -2.878 -12.107 1.00 0.00 H new ATOM 298 N TYR A 18 6.610 -2.158 -8.719 1.00 0.00 N ATOM 299 CA TYR A 18 7.207 -0.832 -8.794 1.00 0.00 C ATOM 300 C TYR A 18 8.593 -0.817 -8.160 1.00 0.00 C ATOM 301 O TYR A 18 8.921 -1.673 -7.338 1.00 0.00 O ATOM 302 CB TYR A 18 6.305 0.196 -8.109 1.00 0.00 C ATOM 303 CG TYR A 18 6.572 1.616 -8.553 1.00 0.00 C ATOM 304 CD1 TYR A 18 7.532 2.389 -7.916 1.00 0.00 C ATOM 305 CD2 TYR A 18 5.870 2.178 -9.611 1.00 0.00 C ATOM 306 CE1 TYR A 18 7.791 3.684 -8.320 1.00 0.00 C ATOM 307 CE2 TYR A 18 6.124 3.476 -10.021 1.00 0.00 C ATOM 308 CZ TYR A 18 7.085 4.222 -9.374 1.00 0.00 C ATOM 309 OH TYR A 18 7.338 5.513 -9.778 1.00 0.00 O ATOM 0 H TYR A 18 7.037 -2.776 -8.029 1.00 0.00 H new ATOM 0 HA TYR A 18 7.311 -0.569 -9.847 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.263 -0.051 -8.314 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.443 0.128 -7.030 1.00 0.00 H new ATOM 0 HD1 TYR A 18 8.087 1.970 -7.089 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.117 1.596 -10.120 1.00 0.00 H new ATOM 0 HE1 TYR A 18 8.542 4.271 -7.813 1.00 0.00 H new ATOM 0 HE2 TYR A 18 5.571 3.902 -10.845 1.00 0.00 H new ATOM 0 HH TYR A 18 6.756 5.739 -10.534 1.00 0.00 H new ATOM 319 N ASN A 19 9.398 0.171 -8.533 1.00 0.00 N ATOM 320 CA ASN A 19 10.745 0.312 -7.989 1.00 0.00 C ATOM 321 C ASN A 19 10.797 1.487 -7.016 1.00 0.00 C ATOM 322 O ASN A 19 11.554 2.438 -7.210 1.00 0.00 O ATOM 323 CB ASN A 19 11.758 0.516 -9.117 1.00 0.00 C ATOM 324 CG ASN A 19 11.797 -0.656 -10.080 1.00 0.00 C ATOM 325 OD1 ASN A 19 11.467 -0.520 -11.257 1.00 0.00 O ATOM 326 ND2 ASN A 19 12.206 -1.817 -9.580 1.00 0.00 N ATOM 0 H ASN A 19 9.141 0.888 -9.211 1.00 0.00 H new ATOM 0 HA ASN A 19 11.002 -0.602 -7.453 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.509 1.425 -9.665 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.749 0.664 -8.689 1.00 0.00 H new ATOM 0 HD21 ASN A 19 12.256 -2.641 -10.179 1.00 0.00 H new ATOM 0 HD22 ASN A 19 12.470 -1.884 -8.597 1.00 0.00 H new ATOM 333 N TYR A 20 9.972 1.418 -5.977 1.00 0.00 N ATOM 334 CA TYR A 20 9.904 2.477 -4.976 1.00 0.00 C ATOM 335 C TYR A 20 10.911 2.248 -3.854 1.00 0.00 C ATOM 336 O TYR A 20 11.041 1.139 -3.337 1.00 0.00 O ATOM 337 CB TYR A 20 8.488 2.557 -4.396 1.00 0.00 C ATOM 338 CG TYR A 20 8.159 3.888 -3.758 1.00 0.00 C ATOM 339 CD1 TYR A 20 8.883 4.358 -2.669 1.00 0.00 C ATOM 340 CD2 TYR A 20 7.119 4.673 -4.243 1.00 0.00 C ATOM 341 CE1 TYR A 20 8.581 5.573 -2.084 1.00 0.00 C ATOM 342 CE2 TYR A 20 6.811 5.888 -3.661 1.00 0.00 C ATOM 343 CZ TYR A 20 7.544 6.333 -2.582 1.00 0.00 C ATOM 344 OH TYR A 20 7.240 7.542 -1.999 1.00 0.00 O ATOM 0 H TYR A 20 9.339 0.637 -5.806 1.00 0.00 H new ATOM 0 HA TYR A 20 10.152 3.419 -5.465 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.769 2.359 -5.191 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.366 1.769 -3.653 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.694 3.765 -2.274 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.542 4.328 -5.088 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.155 5.926 -1.240 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.000 6.486 -4.050 1.00 0.00 H new ATOM 0 HH TYR A 20 6.485 7.952 -2.470 1.00 0.00 H new ATOM 354 N ASP A 21 11.617 3.310 -3.480 1.00 0.00 N ATOM 355 CA ASP A 21 12.609 3.236 -2.413 1.00 0.00 C ATOM 356 C ASP A 21 12.273 4.222 -1.302 1.00 0.00 C ATOM 357 O ASP A 21 12.389 5.436 -1.476 1.00 0.00 O ATOM 358 CB ASP A 21 14.005 3.522 -2.963 1.00 0.00 C ATOM 359 CG ASP A 21 15.090 2.794 -2.195 1.00 0.00 C ATOM 360 OD1 ASP A 21 14.947 2.643 -0.964 1.00 0.00 O ATOM 361 OD2 ASP A 21 16.084 2.375 -2.825 1.00 0.00 O ATOM 0 H ASP A 21 11.520 4.234 -3.901 1.00 0.00 H new ATOM 0 HA ASP A 21 12.594 2.227 -2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.046 3.228 -4.012 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.195 4.595 -2.925 1.00 0.00 H new ATOM 366 N ALA A 22 11.851 3.692 -0.161 1.00 0.00 N ATOM 367 CA ALA A 22 11.489 4.523 0.981 1.00 0.00 C ATOM 368 C ALA A 22 12.697 5.277 1.523 1.00 0.00 C ATOM 369 O ALA A 22 13.740 4.684 1.798 1.00 0.00 O ATOM 370 CB ALA A 22 10.862 3.671 2.076 1.00 0.00 C ATOM 0 H ALA A 22 11.751 2.690 -0.001 1.00 0.00 H new ATOM 0 HA ALA A 22 10.759 5.259 0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.597 4.304 2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.965 3.186 1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.575 2.912 2.400 1.00 0.00 H new ATOM 376 N ARG A 23 12.547 6.587 1.678 1.00 0.00 N ATOM 377 CA ARG A 23 13.622 7.426 2.193 1.00 0.00 C ATOM 378 C ARG A 23 13.735 7.289 3.709 1.00 0.00 C ATOM 379 O ARG A 23 14.806 7.494 4.281 1.00 0.00 O ATOM 380 CB ARG A 23 13.382 8.890 1.817 1.00 0.00 C ATOM 381 CG ARG A 23 14.611 9.770 1.980 1.00 0.00 C ATOM 382 CD ARG A 23 14.237 11.171 2.436 1.00 0.00 C ATOM 383 NE ARG A 23 13.916 12.047 1.311 1.00 0.00 N ATOM 384 CZ ARG A 23 14.833 12.636 0.547 1.00 0.00 C ATOM 385 NH1 ARG A 23 16.126 12.444 0.779 1.00 0.00 N ATOM 386 NH2 ARG A 23 14.455 13.419 -0.456 1.00 0.00 N ATOM 0 H ARG A 23 11.690 7.092 1.454 1.00 0.00 H new ATOM 0 HA ARG A 23 14.558 7.094 1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.045 8.940 0.782 1.00 0.00 H new ATOM 0 HB3 ARG A 23 12.576 9.288 2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 23 15.289 9.319 2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 23 15.148 9.826 1.033 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.381 11.117 3.109 1.00 0.00 H new ATOM 0 HD3 ARG A 23 15.062 11.599 3.005 1.00 0.00 H new ATOM 0 HE ARG A 23 12.933 12.217 1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.422 11.842 1.547 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.823 12.899 0.189 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.463 13.569 -0.640 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.157 13.871 -1.042 1.00 0.00 H new ATOM 400 N GLY A 24 12.625 6.942 4.351 1.00 0.00 N ATOM 401 CA GLY A 24 12.621 6.783 5.793 1.00 0.00 C ATOM 402 C GLY A 24 11.438 5.970 6.284 1.00 0.00 C ATOM 403 O GLY A 24 10.837 5.215 5.520 1.00 0.00 O ATOM 0 H GLY A 24 11.728 6.768 3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.546 6.297 6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.603 7.766 6.264 1.00 0.00 H new ATOM 407 N ALA A 25 11.104 6.126 7.560 1.00 0.00 N ATOM 408 CA ALA A 25 9.985 5.401 8.151 1.00 0.00 C ATOM 409 C ALA A 25 8.650 5.940 7.648 1.00 0.00 C ATOM 410 O ALA A 25 7.648 5.224 7.631 1.00 0.00 O ATOM 411 CB ALA A 25 10.050 5.480 9.668 1.00 0.00 C ATOM 0 H ALA A 25 11.592 6.748 8.205 1.00 0.00 H new ATOM 0 HA ALA A 25 10.061 4.357 7.847 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.209 4.935 10.097 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.984 5.039 10.016 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.003 6.523 9.980 1.00 0.00 H new ATOM 417 N ASP A 26 8.640 7.207 7.243 1.00 0.00 N ATOM 418 CA ASP A 26 7.425 7.841 6.741 1.00 0.00 C ATOM 419 C ASP A 26 6.851 7.067 5.558 1.00 0.00 C ATOM 420 O ASP A 26 5.634 6.961 5.406 1.00 0.00 O ATOM 421 CB ASP A 26 7.713 9.285 6.328 1.00 0.00 C ATOM 422 CG ASP A 26 8.146 10.145 7.499 1.00 0.00 C ATOM 423 OD1 ASP A 26 9.085 9.743 8.216 1.00 0.00 O ATOM 424 OD2 ASP A 26 7.546 11.222 7.697 1.00 0.00 O ATOM 0 H ASP A 26 9.459 7.815 7.253 1.00 0.00 H new ATOM 0 HA ASP A 26 6.687 7.838 7.544 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.493 9.294 5.566 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.820 9.716 5.875 1.00 0.00 H new ATOM 429 N GLU A 27 7.735 6.530 4.723 1.00 0.00 N ATOM 430 CA GLU A 27 7.314 5.768 3.552 1.00 0.00 C ATOM 431 C GLU A 27 7.928 4.372 3.561 1.00 0.00 C ATOM 432 O GLU A 27 8.958 4.140 4.192 1.00 0.00 O ATOM 433 CB GLU A 27 7.713 6.505 2.271 1.00 0.00 C ATOM 434 CG GLU A 27 6.628 7.426 1.735 1.00 0.00 C ATOM 435 CD GLU A 27 6.747 8.839 2.273 1.00 0.00 C ATOM 436 OE1 GLU A 27 6.711 9.008 3.511 1.00 0.00 O ATOM 437 OE2 GLU A 27 6.874 9.776 1.457 1.00 0.00 O ATOM 0 H GLU A 27 8.746 6.608 4.835 1.00 0.00 H new ATOM 0 HA GLU A 27 6.229 5.667 3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.612 7.090 2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.967 5.773 1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.681 7.450 0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.650 7.022 1.998 1.00 0.00 H new ATOM 444 N LEU A 28 7.288 3.446 2.855 1.00 0.00 N ATOM 445 CA LEU A 28 7.770 2.072 2.778 1.00 0.00 C ATOM 446 C LEU A 28 8.225 1.735 1.363 1.00 0.00 C ATOM 447 O LEU A 28 7.546 2.058 0.388 1.00 0.00 O ATOM 448 CB LEU A 28 6.677 1.098 3.221 1.00 0.00 C ATOM 449 CG LEU A 28 7.053 -0.380 3.146 1.00 0.00 C ATOM 450 CD1 LEU A 28 6.450 -1.147 4.313 1.00 0.00 C ATOM 451 CD2 LEU A 28 6.604 -0.981 1.822 1.00 0.00 C ATOM 0 H LEU A 28 6.433 3.623 2.327 1.00 0.00 H new ATOM 0 HA LEU A 28 8.624 1.975 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.397 1.334 4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.794 1.263 2.604 1.00 0.00 H new ATOM 0 HG LEU A 28 8.138 -0.460 3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.730 -2.198 4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.824 -0.736 5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.364 -1.058 4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.881 -2.035 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.522 -0.887 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.087 -0.452 1.000 1.00 0.00 H new ATOM 463 N SER A 29 9.380 1.089 1.256 1.00 0.00 N ATOM 464 CA SER A 29 9.929 0.712 -0.041 1.00 0.00 C ATOM 465 C SER A 29 9.104 -0.403 -0.679 1.00 0.00 C ATOM 466 O SER A 29 8.700 -1.353 -0.009 1.00 0.00 O ATOM 467 CB SER A 29 11.386 0.264 0.108 1.00 0.00 C ATOM 468 OG SER A 29 11.911 0.640 1.369 1.00 0.00 O ATOM 0 H SER A 29 9.955 0.815 2.053 1.00 0.00 H new ATOM 0 HA SER A 29 9.890 1.586 -0.691 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.450 -0.818 -0.008 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.988 0.706 -0.686 1.00 0.00 H new ATOM 0 HG SER A 29 12.842 0.340 1.438 1.00 0.00 H new ATOM 474 N LEU A 30 8.865 -0.280 -1.980 1.00 0.00 N ATOM 475 CA LEU A 30 8.095 -1.276 -2.715 1.00 0.00 C ATOM 476 C LEU A 30 8.933 -1.886 -3.831 1.00 0.00 C ATOM 477 O LEU A 30 9.548 -1.169 -4.621 1.00 0.00 O ATOM 478 CB LEU A 30 6.824 -0.650 -3.295 1.00 0.00 C ATOM 479 CG LEU A 30 5.574 -0.791 -2.425 1.00 0.00 C ATOM 480 CD1 LEU A 30 4.402 -0.053 -3.054 1.00 0.00 C ATOM 481 CD2 LEU A 30 5.232 -2.261 -2.216 1.00 0.00 C ATOM 0 H LEU A 30 9.194 0.501 -2.548 1.00 0.00 H new ATOM 0 HA LEU A 30 7.811 -2.067 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.008 0.410 -3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.625 -1.104 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 30 5.779 -0.345 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.521 -0.164 -2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.648 1.004 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.196 -0.470 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.340 -2.342 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.046 -2.732 -3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.065 -2.762 -1.722 1.00 0.00 H new ATOM 493 N GLN A 31 8.956 -3.213 -3.889 1.00 0.00 N ATOM 494 CA GLN A 31 9.723 -3.919 -4.909 1.00 0.00 C ATOM 495 C GLN A 31 8.815 -4.779 -5.777 1.00 0.00 C ATOM 496 O GLN A 31 7.820 -5.329 -5.301 1.00 0.00 O ATOM 497 CB GLN A 31 10.797 -4.791 -4.256 1.00 0.00 C ATOM 498 CG GLN A 31 11.733 -4.020 -3.339 1.00 0.00 C ATOM 499 CD GLN A 31 11.875 -4.665 -1.974 1.00 0.00 C ATOM 500 OE1 GLN A 31 12.763 -5.489 -1.753 1.00 0.00 O ATOM 501 NE2 GLN A 31 10.998 -4.292 -1.049 1.00 0.00 N ATOM 0 H GLN A 31 8.453 -3.821 -3.243 1.00 0.00 H new ATOM 0 HA GLN A 31 10.203 -3.175 -5.545 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.312 -5.582 -3.684 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.384 -5.275 -5.036 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.715 -3.947 -3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.361 -3.002 -3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.278 -3.606 -1.276 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.044 -4.692 -0.112 1.00 0.00 H new ATOM 510 N ILE A 32 9.163 -4.893 -7.054 1.00 0.00 N ATOM 511 CA ILE A 32 8.379 -5.689 -7.989 1.00 0.00 C ATOM 512 C ILE A 32 8.345 -7.154 -7.566 1.00 0.00 C ATOM 513 O ILE A 32 9.388 -7.776 -7.362 1.00 0.00 O ATOM 514 CB ILE A 32 8.938 -5.586 -9.422 1.00 0.00 C ATOM 515 CG1 ILE A 32 9.065 -4.119 -9.838 1.00 0.00 C ATOM 516 CG2 ILE A 32 8.043 -6.342 -10.395 1.00 0.00 C ATOM 517 CD1 ILE A 32 9.629 -3.931 -11.230 1.00 0.00 C ATOM 0 H ILE A 32 9.982 -4.445 -7.464 1.00 0.00 H new ATOM 0 HA ILE A 32 7.365 -5.288 -7.977 1.00 0.00 H new ATOM 0 HB ILE A 32 9.930 -6.038 -9.443 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.083 -3.649 -9.786 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.704 -3.601 -9.123 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.450 -6.260 -11.403 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.997 -7.392 -10.106 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.040 -5.915 -10.373 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.690 -2.867 -11.457 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.625 -4.371 -11.282 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.978 -4.420 -11.955 1.00 0.00 H new ATOM 529 N GLY A 33 7.140 -7.698 -7.436 1.00 0.00 N ATOM 530 CA GLY A 33 6.991 -9.086 -7.035 1.00 0.00 C ATOM 531 C GLY A 33 6.691 -9.240 -5.555 1.00 0.00 C ATOM 532 O GLY A 33 6.501 -10.356 -5.068 1.00 0.00 O ATOM 0 H GLY A 33 6.263 -7.203 -7.601 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.188 -9.543 -7.614 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.905 -9.629 -7.275 1.00 0.00 H new ATOM 536 N ASP A 34 6.650 -8.122 -4.834 1.00 0.00 N ATOM 537 CA ASP A 34 6.373 -8.147 -3.403 1.00 0.00 C ATOM 538 C ASP A 34 4.892 -7.904 -3.127 1.00 0.00 C ATOM 539 O ASP A 34 4.244 -7.115 -3.814 1.00 0.00 O ATOM 540 CB ASP A 34 7.212 -7.090 -2.682 1.00 0.00 C ATOM 541 CG ASP A 34 8.651 -7.527 -2.487 1.00 0.00 C ATOM 542 OD1 ASP A 34 9.320 -7.836 -3.497 1.00 0.00 O ATOM 543 OD2 ASP A 34 9.110 -7.561 -1.326 1.00 0.00 O ATOM 0 H ASP A 34 6.805 -7.190 -5.218 1.00 0.00 H new ATOM 0 HA ASP A 34 6.638 -9.135 -3.027 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.191 -6.162 -3.254 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.765 -6.876 -1.711 1.00 0.00 H new ATOM 548 N THR A 35 4.365 -8.588 -2.117 1.00 0.00 N ATOM 549 CA THR A 35 2.961 -8.443 -1.748 1.00 0.00 C ATOM 550 C THR A 35 2.801 -7.415 -0.633 1.00 0.00 C ATOM 551 O THR A 35 3.728 -7.181 0.143 1.00 0.00 O ATOM 552 CB THR A 35 2.387 -9.788 -1.304 1.00 0.00 C ATOM 553 OG1 THR A 35 2.885 -10.838 -2.113 1.00 0.00 O ATOM 554 CG2 THR A 35 0.875 -9.841 -1.364 1.00 0.00 C ATOM 0 H THR A 35 4.888 -9.247 -1.540 1.00 0.00 H new ATOM 0 HA THR A 35 2.412 -8.095 -2.623 1.00 0.00 H new ATOM 0 HB THR A 35 2.699 -9.907 -0.267 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.507 -11.691 -1.812 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.532 -10.822 -1.036 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.458 -9.074 -0.711 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.545 -9.665 -2.388 1.00 0.00 H new ATOM 562 N VAL A 36 1.624 -6.802 -0.561 1.00 0.00 N ATOM 563 CA VAL A 36 1.354 -5.797 0.460 1.00 0.00 C ATOM 564 C VAL A 36 -0.077 -5.899 0.981 1.00 0.00 C ATOM 565 O VAL A 36 -1.016 -6.100 0.212 1.00 0.00 O ATOM 566 CB VAL A 36 1.588 -4.373 -0.079 1.00 0.00 C ATOM 567 CG1 VAL A 36 3.076 -4.075 -0.175 1.00 0.00 C ATOM 568 CG2 VAL A 36 0.913 -4.196 -1.430 1.00 0.00 C ATOM 0 H VAL A 36 0.845 -6.983 -1.195 1.00 0.00 H new ATOM 0 HA VAL A 36 2.047 -5.991 1.278 1.00 0.00 H new ATOM 0 HB VAL A 36 1.144 -3.663 0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.221 -3.065 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.528 -4.157 0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.547 -4.790 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.089 -3.184 -1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.324 -4.914 -2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.159 -4.363 -1.326 1.00 0.00 H new ATOM 578 N HIS A 37 -0.232 -5.754 2.293 1.00 0.00 N ATOM 579 CA HIS A 37 -1.545 -5.821 2.922 1.00 0.00 C ATOM 580 C HIS A 37 -2.098 -4.418 3.156 1.00 0.00 C ATOM 581 O HIS A 37 -1.609 -3.683 4.014 1.00 0.00 O ATOM 582 CB HIS A 37 -1.462 -6.579 4.249 1.00 0.00 C ATOM 583 CG HIS A 37 -2.784 -7.089 4.731 1.00 0.00 C ATOM 584 ND1 HIS A 37 -3.920 -6.308 4.784 1.00 0.00 N ATOM 585 CD2 HIS A 37 -3.150 -8.312 5.186 1.00 0.00 C ATOM 586 CE1 HIS A 37 -4.925 -7.027 5.250 1.00 0.00 C ATOM 587 NE2 HIS A 37 -4.485 -8.246 5.501 1.00 0.00 N ATOM 0 H HIS A 37 0.537 -5.589 2.942 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.219 -6.355 2.253 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.777 -7.419 4.136 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -1.037 -5.922 5.007 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.511 -9.177 5.283 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -5.936 -6.677 5.400 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -5.046 -9.014 5.869 1.00 0.00 H new ATOM 596 N ILE A 38 -3.111 -4.052 2.378 1.00 0.00 N ATOM 597 CA ILE A 38 -3.727 -2.735 2.490 1.00 0.00 C ATOM 598 C ILE A 38 -4.681 -2.657 3.677 1.00 0.00 C ATOM 599 O ILE A 38 -5.507 -3.547 3.882 1.00 0.00 O ATOM 600 CB ILE A 38 -4.497 -2.366 1.207 1.00 0.00 C ATOM 601 CG1 ILE A 38 -3.636 -2.638 -0.030 1.00 0.00 C ATOM 602 CG2 ILE A 38 -4.932 -0.908 1.249 1.00 0.00 C ATOM 603 CD1 ILE A 38 -4.165 -3.759 -0.898 1.00 0.00 C ATOM 0 H ILE A 38 -3.523 -4.650 1.662 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.913 -2.026 2.642 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.390 -2.988 1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.571 -1.727 -0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.623 -2.883 0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.474 -0.664 0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.580 -0.746 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.053 -0.268 1.331 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.506 -3.897 -1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.203 -4.681 -0.318 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.167 -3.508 -1.247 1.00 0.00 H new ATOM 615 N LEU A 39 -4.565 -1.581 4.448 1.00 0.00 N ATOM 616 CA LEU A 39 -5.420 -1.373 5.612 1.00 0.00 C ATOM 617 C LEU A 39 -6.150 -0.036 5.512 1.00 0.00 C ATOM 618 O LEU A 39 -7.310 0.081 5.906 1.00 0.00 O ATOM 619 CB LEU A 39 -4.596 -1.429 6.901 1.00 0.00 C ATOM 620 CG LEU A 39 -3.246 -0.711 6.843 1.00 0.00 C ATOM 621 CD1 LEU A 39 -3.425 0.787 7.048 1.00 0.00 C ATOM 622 CD2 LEU A 39 -2.297 -1.284 7.885 1.00 0.00 C ATOM 0 H LEU A 39 -3.885 -0.837 4.287 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.161 -2.172 5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.185 -0.996 7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.423 -2.474 7.158 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.813 -0.870 5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.453 1.279 7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.071 1.187 6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.879 0.969 8.022 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.341 -0.763 7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.726 -1.154 8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.143 -2.346 7.692 1.00 0.00 H new ATOM 634 N GLU A 40 -5.463 0.968 4.974 1.00 0.00 N ATOM 635 CA GLU A 40 -6.042 2.297 4.813 1.00 0.00 C ATOM 636 C GLU A 40 -6.004 2.720 3.347 1.00 0.00 C ATOM 637 O GLU A 40 -5.128 2.296 2.596 1.00 0.00 O ATOM 638 CB GLU A 40 -5.286 3.315 5.668 1.00 0.00 C ATOM 639 CG GLU A 40 -5.969 3.628 6.989 1.00 0.00 C ATOM 640 CD GLU A 40 -6.777 4.908 6.937 1.00 0.00 C ATOM 641 OE1 GLU A 40 -7.738 4.974 6.141 1.00 0.00 O ATOM 642 OE2 GLU A 40 -6.449 5.847 7.693 1.00 0.00 O ATOM 0 H GLU A 40 -4.502 0.885 4.642 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.080 2.261 5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.284 2.936 5.868 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.170 4.239 5.101 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.624 2.800 7.261 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.216 3.709 7.773 1.00 0.00 H new ATOM 649 N THR A 41 -6.958 3.554 2.945 1.00 0.00 N ATOM 650 CA THR A 41 -7.022 4.024 1.565 1.00 0.00 C ATOM 651 C THR A 41 -7.382 5.506 1.502 1.00 0.00 C ATOM 652 O THR A 41 -7.707 6.121 2.517 1.00 0.00 O ATOM 653 CB THR A 41 -8.045 3.206 0.776 1.00 0.00 C ATOM 654 OG1 THR A 41 -8.084 3.621 -0.579 1.00 0.00 O ATOM 655 CG2 THR A 41 -9.449 3.307 1.332 1.00 0.00 C ATOM 0 H THR A 41 -7.694 3.917 3.551 1.00 0.00 H new ATOM 0 HA THR A 41 -6.036 3.894 1.120 1.00 0.00 H new ATOM 0 HB THR A 41 -7.714 2.171 0.860 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.393 3.147 -1.086 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.125 2.703 0.726 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.460 2.943 2.360 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.775 4.347 1.311 1.00 0.00 H new ATOM 663 N TYR A 42 -7.325 6.071 0.299 1.00 0.00 N ATOM 664 CA TYR A 42 -7.646 7.479 0.098 1.00 0.00 C ATOM 665 C TYR A 42 -7.566 7.858 -1.379 1.00 0.00 C ATOM 666 O TYR A 42 -7.140 8.961 -1.721 1.00 0.00 O ATOM 667 CB TYR A 42 -6.700 8.363 0.914 1.00 0.00 C ATOM 668 CG TYR A 42 -7.120 9.814 0.968 1.00 0.00 C ATOM 669 CD1 TYR A 42 -8.193 10.216 1.753 1.00 0.00 C ATOM 670 CD2 TYR A 42 -6.444 10.781 0.235 1.00 0.00 C ATOM 671 CE1 TYR A 42 -8.581 11.541 1.806 1.00 0.00 C ATOM 672 CE2 TYR A 42 -6.826 12.108 0.282 1.00 0.00 C ATOM 673 CZ TYR A 42 -7.894 12.484 1.069 1.00 0.00 C ATOM 674 OH TYR A 42 -8.277 13.804 1.118 1.00 0.00 O ATOM 0 H TYR A 42 -7.059 5.574 -0.551 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.669 7.640 0.438 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.639 7.973 1.930 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.699 8.299 0.488 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -8.733 9.481 2.331 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.606 10.491 -0.382 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -9.418 11.837 2.421 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.291 12.847 -0.295 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.689 14.337 0.543 1.00 0.00 H new ATOM 684 N GLU A 43 -7.976 6.940 -2.248 1.00 0.00 N ATOM 685 CA GLU A 43 -7.947 7.185 -3.686 1.00 0.00 C ATOM 686 C GLU A 43 -6.521 7.457 -4.156 1.00 0.00 C ATOM 687 O GLU A 43 -6.010 8.567 -4.009 1.00 0.00 O ATOM 688 CB GLU A 43 -8.851 8.367 -4.042 1.00 0.00 C ATOM 689 CG GLU A 43 -10.248 7.955 -4.476 1.00 0.00 C ATOM 690 CD GLU A 43 -10.786 8.819 -5.600 1.00 0.00 C ATOM 691 OE1 GLU A 43 -10.322 8.658 -6.748 1.00 0.00 O ATOM 692 OE2 GLU A 43 -11.674 9.656 -5.332 1.00 0.00 O ATOM 0 H GLU A 43 -8.332 6.022 -1.983 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.316 6.293 -4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.928 9.028 -3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.385 8.942 -4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.232 6.914 -4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.923 8.014 -3.622 1.00 0.00 H new ATOM 699 N GLY A 44 -5.884 6.434 -4.716 1.00 0.00 N ATOM 700 CA GLY A 44 -4.520 6.585 -5.191 1.00 0.00 C ATOM 701 C GLY A 44 -3.558 6.874 -4.059 1.00 0.00 C ATOM 702 O GLY A 44 -2.613 7.648 -4.214 1.00 0.00 O ATOM 0 H GLY A 44 -6.286 5.506 -4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -4.212 5.675 -5.706 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.477 7.394 -5.920 1.00 0.00 H new ATOM 706 N TRP A 45 -3.808 6.255 -2.910 1.00 0.00 N ATOM 707 CA TRP A 45 -2.973 6.447 -1.732 1.00 0.00 C ATOM 708 C TRP A 45 -3.453 5.550 -0.598 1.00 0.00 C ATOM 709 O TRP A 45 -4.322 5.935 0.184 1.00 0.00 O ATOM 710 CB TRP A 45 -3.020 7.917 -1.302 1.00 0.00 C ATOM 711 CG TRP A 45 -1.729 8.481 -0.765 1.00 0.00 C ATOM 712 CD1 TRP A 45 -1.616 9.582 0.036 1.00 0.00 C ATOM 713 CD2 TRP A 45 -0.384 8.011 -0.987 1.00 0.00 C ATOM 714 NE1 TRP A 45 -0.298 9.827 0.326 1.00 0.00 N ATOM 715 CE2 TRP A 45 0.478 8.882 -0.287 1.00 0.00 C ATOM 716 CE3 TRP A 45 0.183 6.948 -1.702 1.00 0.00 C ATOM 717 CZ2 TRP A 45 1.862 8.722 -0.283 1.00 0.00 C ATOM 718 CZ3 TRP A 45 1.558 6.793 -1.693 1.00 0.00 C ATOM 719 CH2 TRP A 45 2.381 7.676 -0.989 1.00 0.00 C ATOM 0 H TRP A 45 -4.588 5.612 -2.770 1.00 0.00 H new ATOM 0 HA TRP A 45 -1.944 6.180 -1.974 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.330 8.517 -2.157 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.790 8.029 -0.539 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.446 10.175 0.390 1.00 0.00 H new ATOM 0 HE1 TRP A 45 0.048 10.591 0.906 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.443 6.261 -2.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 2.502 9.402 0.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.003 5.975 -2.240 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.451 7.527 -1.004 1.00 0.00 H new ATOM 730 N TYR A 46 -2.891 4.346 -0.517 1.00 0.00 N ATOM 731 CA TYR A 46 -3.278 3.394 0.519 1.00 0.00 C ATOM 732 C TYR A 46 -2.091 3.026 1.401 1.00 0.00 C ATOM 733 O TYR A 46 -0.953 2.970 0.938 1.00 0.00 O ATOM 734 CB TYR A 46 -3.860 2.121 -0.105 1.00 0.00 C ATOM 735 CG TYR A 46 -4.678 2.357 -1.356 1.00 0.00 C ATOM 736 CD1 TYR A 46 -5.494 3.475 -1.481 1.00 0.00 C ATOM 737 CD2 TYR A 46 -4.638 1.453 -2.411 1.00 0.00 C ATOM 738 CE1 TYR A 46 -6.245 3.686 -2.621 1.00 0.00 C ATOM 739 CE2 TYR A 46 -5.387 1.657 -3.553 1.00 0.00 C ATOM 740 CZ TYR A 46 -6.188 2.774 -3.654 1.00 0.00 C ATOM 741 OH TYR A 46 -6.938 2.980 -4.788 1.00 0.00 O ATOM 0 H TYR A 46 -2.169 4.008 -1.154 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.038 3.874 1.135 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.042 1.441 -0.343 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.485 1.621 0.635 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.542 4.191 -0.674 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.011 0.577 -2.336 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.873 4.560 -2.703 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.345 0.944 -4.363 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.449 3.811 -4.696 1.00 0.00 H new ATOM 751 N ARG A 47 -2.371 2.770 2.674 1.00 0.00 N ATOM 752 CA ARG A 47 -1.334 2.398 3.628 1.00 0.00 C ATOM 753 C ARG A 47 -1.436 0.917 3.973 1.00 0.00 C ATOM 754 O ARG A 47 -2.533 0.365 4.053 1.00 0.00 O ATOM 755 CB ARG A 47 -1.454 3.240 4.899 1.00 0.00 C ATOM 756 CG ARG A 47 -0.395 2.926 5.943 1.00 0.00 C ATOM 757 CD ARG A 47 -0.917 3.159 7.351 1.00 0.00 C ATOM 758 NE ARG A 47 -0.499 4.454 7.884 1.00 0.00 N ATOM 759 CZ ARG A 47 0.693 4.681 8.434 1.00 0.00 C ATOM 760 NH1 ARG A 47 1.588 3.705 8.522 1.00 0.00 N ATOM 761 NH2 ARG A 47 0.991 5.887 8.896 1.00 0.00 N ATOM 0 H ARG A 47 -3.310 2.814 3.070 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.362 2.586 3.171 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.387 4.295 4.633 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.440 3.083 5.336 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.076 1.889 5.839 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.483 3.549 5.771 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.006 3.103 7.348 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.559 2.365 8.006 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.159 5.230 7.832 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.365 2.775 8.167 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.499 3.885 8.944 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.308 6.641 8.830 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.904 6.061 9.317 1.00 0.00 H new ATOM 775 N GLY A 48 -0.290 0.277 4.173 1.00 0.00 N ATOM 776 CA GLY A 48 -0.282 -1.135 4.504 1.00 0.00 C ATOM 777 C GLY A 48 1.102 -1.649 4.843 1.00 0.00 C ATOM 778 O GLY A 48 2.043 -0.868 4.989 1.00 0.00 O ATOM 0 H GLY A 48 0.632 0.710 4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.947 -1.309 5.350 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.680 -1.703 3.663 1.00 0.00 H new ATOM 782 N TYR A 49 1.225 -2.965 4.970 1.00 0.00 N ATOM 783 CA TYR A 49 2.505 -3.584 5.294 1.00 0.00 C ATOM 784 C TYR A 49 2.792 -4.760 4.368 1.00 0.00 C ATOM 785 O TYR A 49 1.899 -5.547 4.050 1.00 0.00 O ATOM 786 CB TYR A 49 2.514 -4.054 6.750 1.00 0.00 C ATOM 787 CG TYR A 49 1.325 -4.914 7.117 1.00 0.00 C ATOM 788 CD1 TYR A 49 1.346 -6.287 6.907 1.00 0.00 C ATOM 789 CD2 TYR A 49 0.184 -4.352 7.675 1.00 0.00 C ATOM 790 CE1 TYR A 49 0.261 -7.077 7.243 1.00 0.00 C ATOM 791 CE2 TYR A 49 -0.904 -5.135 8.013 1.00 0.00 C ATOM 792 CZ TYR A 49 -0.860 -6.496 7.796 1.00 0.00 C ATOM 793 OH TYR A 49 -1.942 -7.278 8.132 1.00 0.00 O ATOM 0 H TYR A 49 0.455 -3.624 4.854 1.00 0.00 H new ATOM 0 HA TYR A 49 3.286 -2.836 5.155 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.429 -4.616 6.936 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.537 -3.182 7.404 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.223 -6.745 6.475 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.146 -3.287 7.848 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.292 -8.143 7.073 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.784 -4.683 8.445 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.648 -6.714 8.511 1.00 0.00 H new ATOM 803 N THR A 50 4.044 -4.874 3.936 1.00 0.00 N ATOM 804 CA THR A 50 4.450 -5.954 3.044 1.00 0.00 C ATOM 805 C THR A 50 4.388 -7.300 3.758 1.00 0.00 C ATOM 806 O THR A 50 4.589 -7.382 4.970 1.00 0.00 O ATOM 807 CB THR A 50 5.866 -5.705 2.519 1.00 0.00 C ATOM 808 OG1 THR A 50 6.561 -4.801 3.359 1.00 0.00 O ATOM 809 CG2 THR A 50 5.892 -5.140 1.116 1.00 0.00 C ATOM 0 H THR A 50 4.795 -4.232 4.189 1.00 0.00 H new ATOM 0 HA THR A 50 3.758 -5.977 2.202 1.00 0.00 H new ATOM 0 HB THR A 50 6.347 -6.683 2.509 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.210 -4.294 2.828 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.925 -4.987 0.804 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.407 -5.838 0.434 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.363 -4.187 1.098 1.00 0.00 H new ATOM 817 N LEU A 51 4.109 -8.354 2.999 1.00 0.00 N ATOM 818 CA LEU A 51 4.020 -9.698 3.559 1.00 0.00 C ATOM 819 C LEU A 51 5.336 -10.100 4.219 1.00 0.00 C ATOM 820 O LEU A 51 5.351 -10.863 5.184 1.00 0.00 O ATOM 821 CB LEU A 51 3.654 -10.705 2.465 1.00 0.00 C ATOM 822 CG LEU A 51 2.154 -10.933 2.271 1.00 0.00 C ATOM 823 CD1 LEU A 51 1.562 -11.645 3.477 1.00 0.00 C ATOM 824 CD2 LEU A 51 1.443 -9.611 2.027 1.00 0.00 C ATOM 0 H LEU A 51 3.941 -8.304 1.994 1.00 0.00 H new ATOM 0 HA LEU A 51 3.239 -9.698 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.079 -10.364 1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.124 -11.660 2.700 1.00 0.00 H new ATOM 0 HG LEU A 51 2.011 -11.567 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.494 -11.799 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.052 -12.610 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.715 -11.038 4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.377 -9.791 1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.594 -8.953 2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.848 -9.140 1.132 1.00 0.00 H new ATOM 836 N ARG A 52 6.440 -9.580 3.690 1.00 0.00 N ATOM 837 CA ARG A 52 7.762 -9.883 4.227 1.00 0.00 C ATOM 838 C ARG A 52 7.987 -9.166 5.553 1.00 0.00 C ATOM 839 O ARG A 52 8.074 -9.797 6.607 1.00 0.00 O ATOM 840 CB ARG A 52 8.844 -9.481 3.224 1.00 0.00 C ATOM 841 CG ARG A 52 8.730 -10.194 1.886 1.00 0.00 C ATOM 842 CD ARG A 52 9.676 -11.382 1.801 1.00 0.00 C ATOM 843 NE ARG A 52 11.061 -10.965 1.581 1.00 0.00 N ATOM 844 CZ ARG A 52 11.971 -10.851 2.547 1.00 0.00 C ATOM 845 NH1 ARG A 52 11.657 -11.120 3.808 1.00 0.00 N ATOM 846 NH2 ARG A 52 13.206 -10.467 2.248 1.00 0.00 N ATOM 0 H ARG A 52 6.445 -8.947 2.890 1.00 0.00 H new ATOM 0 HA ARG A 52 7.820 -10.957 4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.792 -8.405 3.058 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.823 -9.690 3.655 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.705 -10.534 1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.951 -9.494 1.080 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.614 -11.962 2.722 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.362 -12.038 0.990 1.00 0.00 H new ATOM 0 HE ARG A 52 11.348 -10.748 0.627 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.711 -11.417 4.046 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.362 -11.029 4.540 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.456 -10.260 1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.905 -10.379 2.985 1.00 0.00 H new ATOM 860 N LYS A 53 8.083 -7.840 5.493 1.00 0.00 N ATOM 861 CA LYS A 53 8.298 -7.035 6.689 1.00 0.00 C ATOM 862 C LYS A 53 6.982 -6.463 7.204 1.00 0.00 C ATOM 863 O LYS A 53 6.663 -5.298 6.965 1.00 0.00 O ATOM 864 CB LYS A 53 9.281 -5.899 6.394 1.00 0.00 C ATOM 865 CG LYS A 53 8.957 -5.129 5.125 1.00 0.00 C ATOM 866 CD LYS A 53 9.830 -3.893 4.984 1.00 0.00 C ATOM 867 CE LYS A 53 9.386 -3.028 3.815 1.00 0.00 C ATOM 868 NZ LYS A 53 10.240 -1.818 3.665 1.00 0.00 N ATOM 0 H LYS A 53 8.015 -7.302 4.629 1.00 0.00 H new ATOM 0 HA LYS A 53 8.719 -7.680 7.460 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.288 -5.208 7.237 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.286 -6.312 6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.099 -5.776 4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.907 -4.835 5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.790 -3.311 5.905 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.868 -4.194 4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.421 -3.613 2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.349 -2.725 3.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.029 -1.355 2.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.046 -1.157 4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.242 -2.095 3.687 1.00 0.00 H new ATOM 882 N LYS A 54 6.220 -7.290 7.913 1.00 0.00 N ATOM 883 CA LYS A 54 4.937 -6.867 8.461 1.00 0.00 C ATOM 884 C LYS A 54 5.129 -5.816 9.549 1.00 0.00 C ATOM 885 O LYS A 54 4.276 -4.950 9.748 1.00 0.00 O ATOM 886 CB LYS A 54 4.178 -8.070 9.025 1.00 0.00 C ATOM 887 CG LYS A 54 4.135 -9.260 8.079 1.00 0.00 C ATOM 888 CD LYS A 54 2.705 -9.688 7.781 1.00 0.00 C ATOM 889 CE LYS A 54 2.313 -10.921 8.579 1.00 0.00 C ATOM 890 NZ LYS A 54 0.925 -10.820 9.109 1.00 0.00 N ATOM 0 H LYS A 54 6.469 -8.257 8.121 1.00 0.00 H new ATOM 0 HA LYS A 54 4.354 -6.424 7.653 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.644 -8.377 9.961 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.158 -7.767 9.261 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.640 -9.004 7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.681 -10.095 8.518 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.023 -8.870 8.015 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.601 -9.895 6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.397 -11.805 7.947 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.009 -11.054 9.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.695 -11.680 9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.851 -9.991 9.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.258 -10.718 8.318 1.00 0.00 H new ATOM 904 N SER A 55 6.253 -5.899 10.254 1.00 0.00 N ATOM 905 CA SER A 55 6.557 -4.955 11.324 1.00 0.00 C ATOM 906 C SER A 55 6.602 -3.525 10.793 1.00 0.00 C ATOM 907 O SER A 55 6.280 -2.577 11.507 1.00 0.00 O ATOM 908 CB SER A 55 7.891 -5.311 11.983 1.00 0.00 C ATOM 909 OG SER A 55 7.981 -6.702 12.235 1.00 0.00 O ATOM 0 H SER A 55 6.968 -6.610 10.104 1.00 0.00 H new ATOM 0 HA SER A 55 5.764 -5.021 12.069 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.713 -5.001 11.337 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.996 -4.761 12.918 1.00 0.00 H new ATOM 0 HG SER A 55 8.843 -6.903 12.655 1.00 0.00 H new ATOM 915 N LYS A 56 7.006 -3.379 9.534 1.00 0.00 N ATOM 916 CA LYS A 56 7.094 -2.065 8.909 1.00 0.00 C ATOM 917 C LYS A 56 5.779 -1.698 8.227 1.00 0.00 C ATOM 918 O LYS A 56 5.029 -2.572 7.792 1.00 0.00 O ATOM 919 CB LYS A 56 8.239 -2.036 7.893 1.00 0.00 C ATOM 920 CG LYS A 56 9.408 -1.165 8.321 1.00 0.00 C ATOM 921 CD LYS A 56 10.422 -1.954 9.135 1.00 0.00 C ATOM 922 CE LYS A 56 11.805 -1.327 9.062 1.00 0.00 C ATOM 923 NZ LYS A 56 12.879 -2.356 8.997 1.00 0.00 N ATOM 0 H LYS A 56 7.277 -4.154 8.928 1.00 0.00 H new ATOM 0 HA LYS A 56 7.293 -1.330 9.689 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.595 -3.053 7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.858 -1.675 6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.894 -0.747 7.439 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.041 -0.325 8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.098 -2.002 10.174 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.466 -2.979 8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.866 -0.683 8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.962 -0.693 9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.806 -1.887 8.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.838 -2.955 9.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.744 -2.946 8.151 1.00 0.00 H new ATOM 937 N LYS A 57 5.508 -0.401 8.137 1.00 0.00 N ATOM 938 CA LYS A 57 4.285 0.083 7.507 1.00 0.00 C ATOM 939 C LYS A 57 4.576 1.268 6.592 1.00 0.00 C ATOM 940 O LYS A 57 5.550 1.993 6.790 1.00 0.00 O ATOM 941 CB LYS A 57 3.264 0.486 8.574 1.00 0.00 C ATOM 942 CG LYS A 57 2.318 -0.638 8.965 1.00 0.00 C ATOM 943 CD LYS A 57 2.767 -1.326 10.245 1.00 0.00 C ATOM 944 CE LYS A 57 1.612 -1.513 11.215 1.00 0.00 C ATOM 945 NZ LYS A 57 0.566 -2.420 10.666 1.00 0.00 N ATOM 0 H LYS A 57 6.119 0.335 8.492 1.00 0.00 H new ATOM 0 HA LYS A 57 3.872 -0.725 6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.795 0.829 9.462 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.680 1.330 8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.313 -0.239 9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.266 -1.368 8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.201 -2.296 10.004 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.550 -0.736 10.721 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.989 -1.920 12.154 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.169 -0.544 11.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.316 -1.887 10.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.886 -2.808 9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.396 -3.199 11.334 1.00 0.00 H new ATOM 959 N GLY A 58 3.726 1.459 5.588 1.00 0.00 N ATOM 960 CA GLY A 58 3.911 2.557 4.659 1.00 0.00 C ATOM 961 C GLY A 58 2.720 2.749 3.739 1.00 0.00 C ATOM 962 O GLY A 58 1.642 2.212 3.988 1.00 0.00 O ATOM 0 H GLY A 58 2.913 0.873 5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.085 3.476 5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.803 2.375 4.060 1.00 0.00 H new ATOM 966 N ILE A 59 2.919 3.519 2.674 1.00 0.00 N ATOM 967 CA ILE A 59 1.857 3.785 1.709 1.00 0.00 C ATOM 968 C ILE A 59 2.364 3.628 0.281 1.00 0.00 C ATOM 969 O ILE A 59 3.571 3.568 0.044 1.00 0.00 O ATOM 970 CB ILE A 59 1.275 5.202 1.882 1.00 0.00 C ATOM 971 CG1 ILE A 59 2.388 6.204 2.194 1.00 0.00 C ATOM 972 CG2 ILE A 59 0.222 5.209 2.982 1.00 0.00 C ATOM 973 CD1 ILE A 59 1.886 7.608 2.447 1.00 0.00 C ATOM 0 H ILE A 59 3.807 3.971 2.457 1.00 0.00 H new ATOM 0 HA ILE A 59 1.070 3.055 1.898 1.00 0.00 H new ATOM 0 HB ILE A 59 0.800 5.500 0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.939 5.861 3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.092 6.223 1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.181 6.216 3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.583 4.523 2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.675 4.893 3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.730 8.263 2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.360 7.971 1.564 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.205 7.603 3.298 1.00 0.00 H new ATOM 985 N PHE A 60 1.438 3.561 -0.671 1.00 0.00 N ATOM 986 CA PHE A 60 1.801 3.411 -2.075 1.00 0.00 C ATOM 987 C PHE A 60 0.659 3.845 -2.990 1.00 0.00 C ATOM 988 O PHE A 60 -0.500 3.889 -2.575 1.00 0.00 O ATOM 989 CB PHE A 60 2.178 1.958 -2.367 1.00 0.00 C ATOM 990 CG PHE A 60 1.174 0.964 -1.853 1.00 0.00 C ATOM 991 CD1 PHE A 60 -0.112 0.926 -2.369 1.00 0.00 C ATOM 992 CD2 PHE A 60 1.517 0.068 -0.854 1.00 0.00 C ATOM 993 CE1 PHE A 60 -1.034 0.013 -1.899 1.00 0.00 C ATOM 994 CE2 PHE A 60 0.598 -0.847 -0.378 1.00 0.00 C ATOM 995 CZ PHE A 60 -0.680 -0.874 -0.901 1.00 0.00 C ATOM 0 H PHE A 60 0.434 3.608 -0.496 1.00 0.00 H new ATOM 0 HA PHE A 60 2.659 4.054 -2.272 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.287 1.829 -3.444 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.149 1.746 -1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.396 1.619 -3.148 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.515 0.085 -0.442 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.032 -0.008 -2.311 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.878 -1.540 0.402 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.401 -1.587 -0.530 1.00 0.00 H new ATOM 1005 N PRO A 61 0.974 4.174 -4.257 1.00 0.00 N ATOM 1006 CA PRO A 61 -0.023 4.606 -5.240 1.00 0.00 C ATOM 1007 C PRO A 61 -0.898 3.449 -5.717 1.00 0.00 C ATOM 1008 O PRO A 61 -0.415 2.337 -5.925 1.00 0.00 O ATOM 1009 CB PRO A 61 0.816 5.155 -6.407 1.00 0.00 C ATOM 1010 CG PRO A 61 2.226 5.192 -5.914 1.00 0.00 C ATOM 1011 CD PRO A 61 2.322 4.154 -4.836 1.00 0.00 C ATOM 0 HA PRO A 61 -0.711 5.339 -4.819 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.726 4.518 -7.287 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.477 6.149 -6.698 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.926 4.979 -6.722 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.477 6.179 -5.526 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.577 3.173 -5.238 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.085 4.404 -4.098 1.00 0.00 H new ATOM 1019 N ALA A 62 -2.187 3.721 -5.886 1.00 0.00 N ATOM 1020 CA ALA A 62 -3.132 2.703 -6.338 1.00 0.00 C ATOM 1021 C ALA A 62 -2.910 2.334 -7.803 1.00 0.00 C ATOM 1022 O ALA A 62 -3.481 1.361 -8.297 1.00 0.00 O ATOM 1023 CB ALA A 62 -4.559 3.186 -6.129 1.00 0.00 C ATOM 0 H ALA A 62 -2.603 4.637 -5.717 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.963 1.806 -5.743 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.256 2.420 -6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.725 3.383 -5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.720 4.102 -6.698 1.00 0.00 H new ATOM 1029 N SER A 63 -2.085 3.112 -8.498 1.00 0.00 N ATOM 1030 CA SER A 63 -1.801 2.859 -9.907 1.00 0.00 C ATOM 1031 C SER A 63 -0.624 1.899 -10.076 1.00 0.00 C ATOM 1032 O SER A 63 -0.106 1.731 -11.180 1.00 0.00 O ATOM 1033 CB SER A 63 -1.508 4.172 -10.631 1.00 0.00 C ATOM 1034 OG SER A 63 -0.950 5.130 -9.746 1.00 0.00 O ATOM 0 H SER A 63 -1.602 3.922 -8.109 1.00 0.00 H new ATOM 0 HA SER A 63 -2.684 2.394 -10.345 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.819 3.990 -11.456 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.428 4.565 -11.064 1.00 0.00 H new ATOM 0 HG SER A 63 -0.770 5.961 -10.234 1.00 0.00 H new ATOM 1040 N TYR A 64 -0.203 1.270 -8.982 1.00 0.00 N ATOM 1041 CA TYR A 64 0.913 0.334 -9.023 1.00 0.00 C ATOM 1042 C TYR A 64 0.675 -0.839 -8.075 1.00 0.00 C ATOM 1043 O TYR A 64 1.613 -1.387 -7.497 1.00 0.00 O ATOM 1044 CB TYR A 64 2.213 1.055 -8.675 1.00 0.00 C ATOM 1045 CG TYR A 64 2.627 2.043 -9.741 1.00 0.00 C ATOM 1046 CD1 TYR A 64 2.826 1.627 -11.051 1.00 0.00 C ATOM 1047 CD2 TYR A 64 2.803 3.387 -9.443 1.00 0.00 C ATOM 1048 CE1 TYR A 64 3.193 2.523 -12.034 1.00 0.00 C ATOM 1049 CE2 TYR A 64 3.168 4.291 -10.422 1.00 0.00 C ATOM 1050 CZ TYR A 64 3.362 3.855 -11.717 1.00 0.00 C ATOM 1051 OH TYR A 64 3.726 4.751 -12.695 1.00 0.00 O ATOM 0 H TYR A 64 -0.618 1.392 -8.058 1.00 0.00 H new ATOM 0 HA TYR A 64 0.994 -0.065 -10.034 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.093 1.578 -7.726 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.007 0.321 -8.536 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.691 0.586 -11.304 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.652 3.731 -8.431 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.347 2.183 -13.047 1.00 0.00 H new ATOM 0 HE2 TYR A 64 3.301 5.334 -10.175 1.00 0.00 H new ATOM 0 HH TYR A 64 3.802 5.647 -12.306 1.00 0.00 H new ATOM 1061 N ILE A 65 -0.593 -1.218 -7.929 1.00 0.00 N ATOM 1062 CA ILE A 65 -0.970 -2.328 -7.060 1.00 0.00 C ATOM 1063 C ILE A 65 -1.845 -3.330 -7.805 1.00 0.00 C ATOM 1064 O ILE A 65 -2.429 -3.009 -8.842 1.00 0.00 O ATOM 1065 CB ILE A 65 -1.732 -1.838 -5.813 1.00 0.00 C ATOM 1066 CG1 ILE A 65 -1.049 -0.606 -5.215 1.00 0.00 C ATOM 1067 CG2 ILE A 65 -1.823 -2.952 -4.779 1.00 0.00 C ATOM 1068 CD1 ILE A 65 0.342 -0.882 -4.691 1.00 0.00 C ATOM 0 H ILE A 65 -1.378 -0.771 -8.403 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.044 -2.810 -6.746 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.742 -1.558 -6.112 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.994 0.174 -5.975 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.664 -0.218 -4.403 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.364 -2.592 -3.903 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.352 -3.804 -5.207 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.819 -3.258 -4.485 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.765 0.035 -4.282 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.292 -1.639 -3.908 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.972 -1.242 -5.504 1.00 0.00 H new ATOM 1080 N HIS A 66 -1.938 -4.544 -7.272 1.00 0.00 N ATOM 1081 CA HIS A 66 -2.747 -5.590 -7.887 1.00 0.00 C ATOM 1082 C HIS A 66 -3.322 -6.528 -6.832 1.00 0.00 C ATOM 1083 O HIS A 66 -2.588 -7.269 -6.181 1.00 0.00 O ATOM 1084 CB HIS A 66 -1.911 -6.385 -8.892 1.00 0.00 C ATOM 1085 CG HIS A 66 -2.734 -7.150 -9.882 1.00 0.00 C ATOM 1086 ND1 HIS A 66 -3.805 -6.601 -10.554 1.00 0.00 N ATOM 1087 CD2 HIS A 66 -2.637 -8.429 -10.313 1.00 0.00 C ATOM 1088 CE1 HIS A 66 -4.332 -7.510 -11.356 1.00 0.00 C ATOM 1089 NE2 HIS A 66 -3.641 -8.628 -11.229 1.00 0.00 N ATOM 0 H HIS A 66 -1.463 -4.828 -6.415 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.575 -5.112 -8.410 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.255 -5.700 -9.429 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.270 -7.080 -8.350 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -1.906 -9.158 -9.996 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.183 -7.363 -12.005 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -3.823 -9.498 -11.730 1.00 0.00 H new ATOM 1098 N LEU A 67 -4.640 -6.492 -6.667 1.00 0.00 N ATOM 1099 CA LEU A 67 -5.310 -7.342 -5.690 1.00 0.00 C ATOM 1100 C LEU A 67 -5.254 -8.805 -6.112 1.00 0.00 C ATOM 1101 O LEU A 67 -5.764 -9.176 -7.170 1.00 0.00 O ATOM 1102 CB LEU A 67 -6.768 -6.904 -5.515 1.00 0.00 C ATOM 1103 CG LEU A 67 -6.967 -5.631 -4.692 1.00 0.00 C ATOM 1104 CD1 LEU A 67 -6.627 -5.881 -3.231 1.00 0.00 C ATOM 1105 CD2 LEU A 67 -6.120 -4.497 -5.251 1.00 0.00 C ATOM 0 H LEU A 67 -5.265 -5.884 -7.197 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.790 -7.238 -4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.207 -6.753 -6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.321 -7.715 -5.041 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.016 -5.341 -4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.775 -4.964 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.275 -6.663 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.587 -6.196 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.274 -3.599 -4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.068 -4.779 -5.218 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.411 -4.300 -6.283 1.00 0.00 H new ATOM 1117 N LYS A 68 -4.632 -9.635 -5.280 1.00 0.00 N ATOM 1118 CA LYS A 68 -4.509 -11.059 -5.569 1.00 0.00 C ATOM 1119 C LYS A 68 -5.325 -11.888 -4.582 1.00 0.00 C ATOM 1120 O LYS A 68 -5.989 -11.344 -3.701 1.00 0.00 O ATOM 1121 CB LYS A 68 -3.041 -11.486 -5.520 1.00 0.00 C ATOM 1122 CG LYS A 68 -2.281 -11.198 -6.805 1.00 0.00 C ATOM 1123 CD LYS A 68 -2.342 -12.376 -7.765 1.00 0.00 C ATOM 1124 CE LYS A 68 -2.227 -11.923 -9.211 1.00 0.00 C ATOM 1125 NZ LYS A 68 -3.027 -12.781 -10.128 1.00 0.00 N ATOM 0 H LYS A 68 -4.205 -9.345 -4.400 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.898 -11.235 -6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.549 -10.973 -4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.989 -12.554 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.699 -10.314 -7.286 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.241 -10.972 -6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.537 -13.075 -7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.280 -12.913 -7.624 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.563 -10.890 -9.295 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.181 -11.943 -9.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.921 -12.438 -11.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.690 -13.763 -10.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.029 -12.742 -9.854 1.00 0.00 H new ATOM 1139 N GLU A 69 -5.267 -13.207 -4.737 1.00 0.00 N ATOM 1140 CA GLU A 69 -5.999 -14.111 -3.858 1.00 0.00 C ATOM 1141 C GLU A 69 -5.120 -14.575 -2.701 1.00 0.00 C ATOM 1142 O GLU A 69 -4.282 -15.462 -2.862 1.00 0.00 O ATOM 1143 CB GLU A 69 -6.506 -15.322 -4.645 1.00 0.00 C ATOM 1144 CG GLU A 69 -7.883 -15.116 -5.256 1.00 0.00 C ATOM 1145 CD GLU A 69 -7.819 -14.734 -6.723 1.00 0.00 C ATOM 1146 OE1 GLU A 69 -7.733 -13.522 -7.016 1.00 0.00 O ATOM 1147 OE2 GLU A 69 -7.855 -15.645 -7.576 1.00 0.00 O ATOM 0 H GLU A 69 -4.721 -13.673 -5.462 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.851 -13.569 -3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.796 -15.552 -5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.537 -16.188 -3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.465 -16.031 -5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.409 -14.337 -4.704 1.00 0.00 H new ATOM 1154 N ALA A 70 -5.317 -13.968 -1.536 1.00 0.00 N ATOM 1155 CA ALA A 70 -4.542 -14.318 -0.352 1.00 0.00 C ATOM 1156 C ALA A 70 -4.743 -15.782 0.025 1.00 0.00 C ATOM 1157 O ALA A 70 -5.832 -16.185 0.433 1.00 0.00 O ATOM 1158 CB ALA A 70 -4.923 -13.417 0.813 1.00 0.00 C ATOM 0 H ALA A 70 -6.007 -13.231 -1.386 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.487 -14.171 -0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.337 -13.689 1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.722 -12.378 0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.984 -13.537 1.034 1.00 0.00 H new ATOM 1164 N ILE A 71 -3.685 -16.574 -0.116 1.00 0.00 N ATOM 1165 CA ILE A 71 -3.745 -17.993 0.209 1.00 0.00 C ATOM 1166 C ILE A 71 -3.707 -18.214 1.717 1.00 0.00 C ATOM 1167 O ILE A 71 -2.834 -17.690 2.409 1.00 0.00 O ATOM 1168 CB ILE A 71 -2.581 -18.768 -0.439 1.00 0.00 C ATOM 1169 CG1 ILE A 71 -2.460 -18.407 -1.922 1.00 0.00 C ATOM 1170 CG2 ILE A 71 -2.781 -20.266 -0.263 1.00 0.00 C ATOM 1171 CD1 ILE A 71 -1.299 -17.487 -2.227 1.00 0.00 C ATOM 0 H ILE A 71 -2.776 -16.256 -0.453 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.688 -18.368 -0.188 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.653 -18.485 0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.350 -19.323 -2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.385 -17.932 -2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.951 -20.801 -0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -2.820 -20.506 0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.716 -20.566 -0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.275 -17.274 -3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.418 -16.555 -1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.366 -17.968 -1.932 1.00 0.00 H new ATOM 1183 N VAL A 72 -4.660 -18.990 2.221 1.00 0.00 N ATOM 1184 CA VAL A 72 -4.737 -19.279 3.647 1.00 0.00 C ATOM 1185 C VAL A 72 -4.566 -20.771 3.916 1.00 0.00 C ATOM 1186 O VAL A 72 -5.544 -21.513 3.999 1.00 0.00 O ATOM 1187 CB VAL A 72 -6.078 -18.814 4.244 1.00 0.00 C ATOM 1188 CG1 VAL A 72 -6.119 -17.297 4.348 1.00 0.00 C ATOM 1189 CG2 VAL A 72 -7.241 -19.331 3.411 1.00 0.00 C ATOM 0 H VAL A 72 -5.391 -19.430 1.662 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.925 -18.730 4.124 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.170 -19.226 5.249 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.074 -16.987 4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.308 -16.954 4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.004 -16.861 3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.180 -18.992 3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.157 -18.951 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.221 -20.421 3.394 1.00 0.00 H new ATOM 1199 N GLU A 73 -3.315 -21.202 4.052 1.00 0.00 N ATOM 1200 CA GLU A 73 -3.016 -22.605 4.312 1.00 0.00 C ATOM 1201 C GLU A 73 -1.877 -22.742 5.317 1.00 0.00 C ATOM 1202 O GLU A 73 -0.717 -22.900 4.938 1.00 0.00 O ATOM 1203 CB GLU A 73 -2.651 -23.320 3.010 1.00 0.00 C ATOM 1204 CG GLU A 73 -3.155 -24.752 2.939 1.00 0.00 C ATOM 1205 CD GLU A 73 -2.211 -25.734 3.604 1.00 0.00 C ATOM 1206 OE1 GLU A 73 -1.072 -25.889 3.114 1.00 0.00 O ATOM 1207 OE2 GLU A 73 -2.609 -26.351 4.616 1.00 0.00 O ATOM 0 H GLU A 73 -2.494 -20.600 3.986 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.907 -23.068 4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.060 -22.758 2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.567 -23.319 2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.133 -24.813 3.416 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.291 -25.034 1.895 1.00 0.00 H new ATOM 1214 N GLY A 74 -2.217 -22.679 6.601 1.00 0.00 N ATOM 1215 CA GLY A 74 -1.212 -22.796 7.640 1.00 0.00 C ATOM 1216 C GLY A 74 -1.645 -22.148 8.941 1.00 0.00 C ATOM 1217 O GLY A 74 -2.534 -21.271 8.900 1.00 0.00 O ATOM 1218 OXT GLY A 74 -1.096 -22.517 10.001 1.00 0.00 O ATOM 0 H GLY A 74 -3.170 -22.549 6.939 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.997 -23.850 7.816 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.285 -22.335 7.299 1.00 0.00 H new TER 1222 GLY A 74