USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 523 hydrogens (12 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 49 HIS : no HD1:sc= -9.36! C(o=-9.4!,f=-14!) USER MOD Set 1.2: A1318 ATP O2' : rot -74:sc= 1.12 USER MOD Set 1.3: A1318 ATP O3' : rot 119:sc= -1.16! USER MOD Set 2.1: A 30 MET CE :methyl -160:sc= -5.53 (180deg=-5.05!) USER MOD Set 2.2: A 38 SER OG : rot -84:sc= -1.44 USER MOD Set 2.3: A 47 HIS : no HD1:sc= -0.0592 K(o=-7,f=-7.9) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.605 (180deg=-0.667) USER MOD Single : A 2 SER OG : rot 178:sc= -1.79 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.143) USER MOD Single : A 21 LYS NZ :NH3+ -144:sc= -4.97! (180deg=-9.38!) USER MOD Single : A 22 ASN : amide:sc= -0.365 K(o=-0.37,f=-5.8!) USER MOD Single : A 24 HIS : no HD1:sc= -2.09 X(o=-2.1,f=-1.7) USER MOD Single : A 28 TYR OH : rot 28:sc= 0.687 USER MOD Single : A 29 ASN : amide:sc= -6.45! K(o=-6.5!,f=-0.87) USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= -0.622 (180deg=-0.988) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.81! C(o=-1.8!,f=-2.3!) USER MOD Single : A 37 ASN : amide:sc= -0.045 X(o=-0.045,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.82! USER MOD Single : A 63 SER OG : rot 180:sc= -0.0107 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.592 6.973 -8.403 1.00 0.00 N ATOM 2 CA GLY A 1 -18.480 7.896 -8.768 1.00 0.00 C ATOM 3 C GLY A 1 -17.779 7.378 -10.020 1.00 0.00 C ATOM 4 O GLY A 1 -18.302 7.490 -11.128 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.503 7.458 -8.533 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.558 6.131 -9.013 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.492 6.685 -7.409 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.869 8.899 -8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.769 7.970 -7.945 1.00 0.00 H new ATOM 10 N SER A 2 -16.592 6.811 -9.832 1.00 0.00 N ATOM 11 CA SER A 2 -15.826 6.278 -10.951 1.00 0.00 C ATOM 12 C SER A 2 -16.414 4.948 -11.412 1.00 0.00 C ATOM 13 O SER A 2 -16.478 3.988 -10.646 1.00 0.00 O ATOM 14 CB SER A 2 -14.369 6.076 -10.537 1.00 0.00 C ATOM 15 OG SER A 2 -13.562 5.952 -11.701 1.00 0.00 O ATOM 0 H SER A 2 -16.143 6.709 -8.922 1.00 0.00 H new ATOM 0 HA SER A 2 -15.873 6.991 -11.774 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.030 6.918 -9.934 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.275 5.183 -9.919 1.00 0.00 H new ATOM 0 HG SER A 2 -12.623 5.856 -11.439 1.00 0.00 H new ATOM 21 N PHE A 3 -16.840 4.900 -12.669 1.00 0.00 N ATOM 22 CA PHE A 3 -17.418 3.681 -13.221 1.00 0.00 C ATOM 23 C PHE A 3 -16.669 3.260 -14.479 1.00 0.00 C ATOM 24 O PHE A 3 -17.219 2.581 -15.347 1.00 0.00 O ATOM 25 CB PHE A 3 -18.896 3.906 -13.545 1.00 0.00 C ATOM 26 CG PHE A 3 -19.707 3.753 -12.282 1.00 0.00 C ATOM 27 CD1 PHE A 3 -20.095 2.478 -11.851 1.00 0.00 C ATOM 28 CD2 PHE A 3 -20.064 4.883 -11.536 1.00 0.00 C ATOM 29 CE1 PHE A 3 -20.841 2.334 -10.676 1.00 0.00 C ATOM 30 CE2 PHE A 3 -20.811 4.739 -10.361 1.00 0.00 C ATOM 31 CZ PHE A 3 -21.199 3.465 -9.931 1.00 0.00 C ATOM 0 H PHE A 3 -16.797 5.684 -13.320 1.00 0.00 H new ATOM 0 HA PHE A 3 -17.330 2.886 -12.480 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -19.041 4.900 -13.967 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -19.230 3.189 -14.295 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -19.818 1.606 -12.425 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -19.763 5.866 -11.867 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -21.141 1.351 -10.344 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -21.088 5.611 -9.787 1.00 0.00 H new ATOM 0 HZ PHE A 3 -21.775 3.354 -9.024 1.00 0.00 H new ATOM 41 N ARG A 4 -15.408 3.667 -14.566 1.00 0.00 N ATOM 42 CA ARG A 4 -14.579 3.332 -15.717 1.00 0.00 C ATOM 43 C ARG A 4 -13.822 2.031 -15.467 1.00 0.00 C ATOM 44 O ARG A 4 -13.011 1.940 -14.544 1.00 0.00 O ATOM 45 CB ARG A 4 -13.585 4.464 -15.980 1.00 0.00 C ATOM 46 CG ARG A 4 -13.467 5.336 -14.728 1.00 0.00 C ATOM 47 CD ARG A 4 -12.247 6.251 -14.846 1.00 0.00 C ATOM 48 NE ARG A 4 -12.024 6.954 -13.588 1.00 0.00 N ATOM 49 CZ ARG A 4 -12.665 8.085 -13.308 1.00 0.00 C ATOM 50 NH1 ARG A 4 -13.504 8.590 -14.170 1.00 0.00 N ATOM 51 NH2 ARG A 4 -12.453 8.690 -12.171 1.00 0.00 N ATOM 0 H ARG A 4 -14.938 4.228 -13.855 1.00 0.00 H new ATOM 0 HA ARG A 4 -15.222 3.201 -16.587 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -12.610 4.053 -16.244 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -13.917 5.066 -16.826 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -14.370 5.933 -14.603 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -13.377 4.707 -13.843 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.366 5.664 -15.104 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -12.398 6.970 -15.651 1.00 0.00 H new ATOM 0 HE ARG A 4 -11.364 6.571 -12.911 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -13.668 8.117 -15.059 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.996 9.457 -13.955 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -11.796 8.295 -11.498 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -12.944 9.558 -11.956 1.00 0.00 H new ATOM 65 N VAL A 5 -14.091 1.026 -16.296 1.00 0.00 N ATOM 66 CA VAL A 5 -13.425 -0.264 -16.155 1.00 0.00 C ATOM 67 C VAL A 5 -11.938 -0.072 -15.882 1.00 0.00 C ATOM 68 O VAL A 5 -11.380 0.982 -16.175 1.00 0.00 O ATOM 69 CB VAL A 5 -13.600 -1.094 -17.430 1.00 0.00 C ATOM 70 CG1 VAL A 5 -15.030 -1.630 -17.501 1.00 0.00 C ATOM 71 CG2 VAL A 5 -13.322 -0.220 -18.657 1.00 0.00 C ATOM 0 H VAL A 5 -14.759 1.079 -17.065 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.879 -0.789 -15.314 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.899 -1.929 -17.414 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -15.153 -2.220 -18.409 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -15.227 -2.257 -16.631 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -15.731 -0.796 -17.513 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -13.447 -0.814 -19.563 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -14.019 0.618 -18.673 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.301 0.159 -18.610 1.00 0.00 H new ATOM 81 N LYS A 6 -11.308 -1.104 -15.326 1.00 0.00 N ATOM 82 CA LYS A 6 -9.882 -1.061 -15.013 1.00 0.00 C ATOM 83 C LYS A 6 -9.644 -0.534 -13.598 1.00 0.00 C ATOM 84 O LYS A 6 -8.639 0.119 -13.327 1.00 0.00 O ATOM 85 CB LYS A 6 -9.134 -0.198 -16.047 1.00 0.00 C ATOM 86 CG LYS A 6 -8.942 1.238 -15.533 1.00 0.00 C ATOM 87 CD LYS A 6 -8.946 2.203 -16.724 1.00 0.00 C ATOM 88 CE LYS A 6 -8.202 3.490 -16.355 1.00 0.00 C ATOM 89 NZ LYS A 6 -7.720 4.153 -17.599 1.00 0.00 N ATOM 0 H LYS A 6 -11.764 -1.983 -15.082 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.493 -2.078 -15.060 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.163 -0.643 -16.263 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.692 -0.181 -16.983 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.739 1.498 -14.836 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.002 1.319 -14.987 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.472 1.733 -17.586 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.971 2.435 -17.012 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.862 4.160 -15.804 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.360 3.263 -15.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.214 5.028 -17.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.077 3.513 -18.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.532 4.382 -18.207 1.00 0.00 H new ATOM 103 N PRO A 7 -10.545 -0.815 -12.695 1.00 0.00 N ATOM 104 CA PRO A 7 -10.428 -0.366 -11.276 1.00 0.00 C ATOM 105 C PRO A 7 -9.211 -0.974 -10.584 1.00 0.00 C ATOM 106 O PRO A 7 -8.609 -0.354 -9.707 1.00 0.00 O ATOM 107 CB PRO A 7 -11.727 -0.854 -10.623 1.00 0.00 C ATOM 108 CG PRO A 7 -12.242 -1.936 -11.513 1.00 0.00 C ATOM 109 CD PRO A 7 -11.772 -1.591 -12.923 1.00 0.00 C ATOM 0 HA PRO A 7 -10.292 0.713 -11.200 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.543 -1.229 -9.616 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.450 -0.043 -10.534 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.860 -2.909 -11.203 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.330 -1.991 -11.468 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.577 -2.487 -13.512 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -12.519 -1.011 -13.464 1.00 0.00 H new ATOM 117 N CYS A 8 -8.856 -2.190 -10.985 1.00 0.00 N ATOM 118 CA CYS A 8 -7.711 -2.871 -10.396 1.00 0.00 C ATOM 119 C CYS A 8 -7.054 -3.798 -11.425 1.00 0.00 C ATOM 120 O CYS A 8 -7.555 -3.941 -12.537 1.00 0.00 O ATOM 121 CB CYS A 8 -8.165 -3.667 -9.166 1.00 0.00 C ATOM 122 SG CYS A 8 -7.070 -5.082 -8.905 1.00 0.00 S ATOM 0 H CYS A 8 -9.341 -2.720 -11.709 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.973 -2.130 -10.087 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -8.159 -3.025 -8.285 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.190 -4.011 -9.303 1.00 0.00 H new ATOM 127 N VAL A 9 -5.937 -4.421 -11.042 1.00 0.00 N ATOM 128 CA VAL A 9 -5.208 -5.335 -11.929 1.00 0.00 C ATOM 129 C VAL A 9 -3.891 -5.662 -11.249 1.00 0.00 C ATOM 130 O VAL A 9 -2.814 -5.285 -11.711 1.00 0.00 O ATOM 131 CB VAL A 9 -4.972 -4.695 -13.324 1.00 0.00 C ATOM 132 CG1 VAL A 9 -3.700 -5.258 -13.970 1.00 0.00 C ATOM 133 CG2 VAL A 9 -6.163 -4.988 -14.252 1.00 0.00 C ATOM 0 H VAL A 9 -5.515 -4.309 -10.120 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.787 -6.243 -12.100 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.864 -3.619 -13.184 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.553 -4.797 -14.947 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.842 -5.041 -13.333 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.800 -6.337 -14.090 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.985 -4.534 -15.227 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.276 -6.066 -14.369 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.073 -4.572 -13.819 1.00 0.00 H new ATOM 143 N VAL A 10 -4.002 -6.310 -10.097 1.00 0.00 N ATOM 144 CA VAL A 10 -2.840 -6.624 -9.303 1.00 0.00 C ATOM 145 C VAL A 10 -2.517 -5.375 -8.516 1.00 0.00 C ATOM 146 O VAL A 10 -1.684 -5.371 -7.610 1.00 0.00 O ATOM 147 CB VAL A 10 -1.680 -7.032 -10.189 1.00 0.00 C ATOM 148 CG1 VAL A 10 -0.705 -7.894 -9.386 1.00 0.00 C ATOM 149 CG2 VAL A 10 -2.208 -7.836 -11.383 1.00 0.00 C ATOM 0 H VAL A 10 -4.887 -6.625 -9.699 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.028 -7.465 -8.636 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.166 -6.141 -10.549 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.130 -8.188 -10.022 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.330 -7.324 -8.536 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.219 -8.786 -9.026 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.374 -8.130 -12.021 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.721 -8.728 -11.023 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.904 -7.223 -11.955 1.00 0.00 H new ATOM 159 N CYS A 11 -3.256 -4.320 -8.864 1.00 0.00 N ATOM 160 CA CYS A 11 -3.149 -3.036 -8.201 1.00 0.00 C ATOM 161 C CYS A 11 -1.780 -2.429 -8.365 1.00 0.00 C ATOM 162 O CYS A 11 -1.272 -1.758 -7.467 1.00 0.00 O ATOM 163 CB CYS A 11 -3.464 -3.203 -6.729 1.00 0.00 C ATOM 164 SG CYS A 11 -4.177 -4.851 -6.469 1.00 0.00 S ATOM 0 H CYS A 11 -3.945 -4.341 -9.616 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.865 -2.358 -8.664 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.559 -3.085 -6.133 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.163 -2.433 -6.403 1.00 0.00 H new ATOM 169 N LYS A 12 -1.203 -2.636 -9.522 1.00 0.00 N ATOM 170 CA LYS A 12 0.098 -2.061 -9.794 1.00 0.00 C ATOM 171 C LYS A 12 -0.091 -0.616 -10.203 1.00 0.00 C ATOM 172 O LYS A 12 0.867 0.140 -10.367 1.00 0.00 O ATOM 173 CB LYS A 12 0.808 -2.811 -10.918 1.00 0.00 C ATOM 174 CG LYS A 12 0.252 -4.227 -11.022 1.00 0.00 C ATOM 175 CD LYS A 12 1.006 -4.993 -12.112 1.00 0.00 C ATOM 176 CE LYS A 12 0.565 -4.496 -13.491 1.00 0.00 C ATOM 177 NZ LYS A 12 1.636 -3.642 -14.078 1.00 0.00 N ATOM 0 H LYS A 12 -1.602 -3.188 -10.281 1.00 0.00 H new ATOM 0 HA LYS A 12 0.711 -2.134 -8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.670 -2.285 -11.863 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.880 -2.844 -10.725 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.354 -4.740 -10.066 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.812 -4.195 -11.255 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.080 -4.854 -11.991 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.811 -6.061 -12.020 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.361 -5.343 -14.146 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.361 -3.928 -13.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.225 -3.018 -14.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.070 -3.065 -13.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.362 -4.246 -14.514 1.00 0.00 H new ATOM 191 N VAL A 13 -1.351 -0.250 -10.358 1.00 0.00 N ATOM 192 CA VAL A 13 -1.715 1.100 -10.743 1.00 0.00 C ATOM 193 C VAL A 13 -3.049 1.447 -10.114 1.00 0.00 C ATOM 194 O VAL A 13 -3.715 2.402 -10.516 1.00 0.00 O ATOM 195 CB VAL A 13 -1.828 1.201 -12.263 1.00 0.00 C ATOM 196 CG1 VAL A 13 -0.431 1.175 -12.887 1.00 0.00 C ATOM 197 CG2 VAL A 13 -2.648 0.023 -12.796 1.00 0.00 C ATOM 0 H VAL A 13 -2.145 -0.876 -10.221 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.947 1.794 -10.400 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.323 2.136 -12.525 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.515 1.247 -13.971 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.151 2.017 -12.511 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.068 0.243 -12.623 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.728 0.096 -13.881 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.156 -0.913 -12.531 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.645 0.045 -12.357 1.00 0.00 H new ATOM 207 N ALA A 14 -3.438 0.645 -9.131 1.00 0.00 N ATOM 208 CA ALA A 14 -4.708 0.852 -8.451 1.00 0.00 C ATOM 209 C ALA A 14 -4.496 1.216 -6.986 1.00 0.00 C ATOM 210 O ALA A 14 -4.964 0.514 -6.091 1.00 0.00 O ATOM 211 CB ALA A 14 -5.552 -0.416 -8.545 1.00 0.00 C ATOM 0 H ALA A 14 -2.896 -0.149 -8.789 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.225 1.679 -8.938 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.503 -0.259 -8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.737 -0.653 -9.593 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.020 -1.243 -8.074 1.00 0.00 H new ATOM 217 N PRO A 15 -3.820 2.305 -6.732 1.00 0.00 N ATOM 218 CA PRO A 15 -3.564 2.782 -5.343 1.00 0.00 C ATOM 219 C PRO A 15 -4.879 3.004 -4.609 1.00 0.00 C ATOM 220 O PRO A 15 -5.213 4.126 -4.227 1.00 0.00 O ATOM 221 CB PRO A 15 -2.802 4.100 -5.528 1.00 0.00 C ATOM 222 CG PRO A 15 -3.002 4.492 -6.956 1.00 0.00 C ATOM 223 CD PRO A 15 -3.233 3.201 -7.734 1.00 0.00 C ATOM 0 HA PRO A 15 -3.000 2.065 -4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.182 4.869 -4.855 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.743 3.974 -5.302 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.855 5.163 -7.058 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.130 5.024 -7.338 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.904 3.355 -8.579 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.302 2.801 -8.135 1.00 0.00 H new ATOM 231 N ARG A 16 -5.631 1.923 -4.448 1.00 0.00 N ATOM 232 CA ARG A 16 -6.928 1.988 -3.792 1.00 0.00 C ATOM 233 C ARG A 16 -6.796 1.832 -2.279 1.00 0.00 C ATOM 234 O ARG A 16 -7.328 2.642 -1.521 1.00 0.00 O ATOM 235 CB ARG A 16 -7.840 0.893 -4.355 1.00 0.00 C ATOM 236 CG ARG A 16 -8.763 1.493 -5.421 1.00 0.00 C ATOM 237 CD ARG A 16 -7.943 2.349 -6.390 1.00 0.00 C ATOM 238 NE ARG A 16 -8.480 2.235 -7.742 1.00 0.00 N ATOM 239 CZ ARG A 16 -9.340 3.131 -8.221 1.00 0.00 C ATOM 240 NH1 ARG A 16 -9.725 4.130 -7.474 1.00 0.00 N ATOM 241 NH2 ARG A 16 -9.799 3.011 -9.438 1.00 0.00 N ATOM 0 H ARG A 16 -5.364 0.990 -4.763 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.363 2.968 -3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.240 0.092 -4.787 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.432 0.451 -3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.272 0.697 -5.965 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.535 2.100 -4.948 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.961 3.391 -6.071 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.901 2.029 -6.377 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.191 1.454 -8.331 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.367 4.224 -6.524 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.384 4.817 -7.841 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.498 2.230 -10.022 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.458 3.698 -9.805 1.00 0.00 H new ATOM 255 N ASP A 17 -6.090 0.793 -1.837 1.00 0.00 N ATOM 256 CA ASP A 17 -5.917 0.573 -0.406 1.00 0.00 C ATOM 257 C ASP A 17 -4.771 1.426 0.133 1.00 0.00 C ATOM 258 O ASP A 17 -3.600 1.138 -0.112 1.00 0.00 O ATOM 259 CB ASP A 17 -5.642 -0.906 -0.132 1.00 0.00 C ATOM 260 CG ASP A 17 -5.477 -1.138 1.367 1.00 0.00 C ATOM 261 OD1 ASP A 17 -5.804 -0.239 2.124 1.00 0.00 O ATOM 262 OD2 ASP A 17 -5.029 -2.211 1.735 1.00 0.00 O ATOM 0 H ASP A 17 -5.637 0.103 -2.437 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.836 0.865 0.103 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.462 -1.514 -0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.741 -1.220 -0.658 1.00 0.00 H new ATOM 267 N TRP A 18 -5.120 2.477 0.870 1.00 0.00 N ATOM 268 CA TRP A 18 -4.119 3.370 1.448 1.00 0.00 C ATOM 269 C TRP A 18 -4.527 3.783 2.852 1.00 0.00 C ATOM 270 O TRP A 18 -5.692 3.664 3.233 1.00 0.00 O ATOM 271 CB TRP A 18 -3.941 4.616 0.577 1.00 0.00 C ATOM 272 CG TRP A 18 -5.279 5.163 0.194 1.00 0.00 C ATOM 273 CD1 TRP A 18 -5.863 5.006 -1.016 1.00 0.00 C ATOM 274 CD2 TRP A 18 -6.204 5.952 0.995 1.00 0.00 C ATOM 275 NE1 TRP A 18 -7.088 5.646 -1.009 1.00 0.00 N ATOM 276 CE2 TRP A 18 -7.344 6.244 0.209 1.00 0.00 C ATOM 277 CE3 TRP A 18 -6.168 6.438 2.316 1.00 0.00 C ATOM 278 CZ2 TRP A 18 -8.409 6.991 0.713 1.00 0.00 C ATOM 279 CZ3 TRP A 18 -7.239 7.190 2.825 1.00 0.00 C ATOM 280 CH2 TRP A 18 -8.357 7.465 2.026 1.00 0.00 C ATOM 0 H TRP A 18 -6.085 2.731 1.081 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.171 2.833 1.494 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.371 5.371 1.119 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -3.370 4.367 -0.318 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -5.441 4.468 -1.852 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -7.725 5.673 -1.806 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -5.312 6.231 2.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -9.268 7.201 0.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -7.201 7.559 3.839 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -9.178 8.043 2.425 1.00 0.00 H new ATOM 291 N ARG A 19 -3.897 4.236 3.759 1.00 0.00 N ATOM 292 CA ARG A 19 -4.163 4.650 5.125 1.00 0.00 C ATOM 293 C ARG A 19 -3.391 5.920 5.461 1.00 0.00 C ATOM 294 O ARG A 19 -2.420 6.262 4.787 1.00 0.00 O ATOM 295 CB ARG A 19 -3.758 3.527 6.077 1.00 0.00 C ATOM 296 CG ARG A 19 -4.252 3.842 7.488 1.00 0.00 C ATOM 297 CD ARG A 19 -4.960 2.613 8.060 1.00 0.00 C ATOM 298 NE ARG A 19 -4.251 1.399 7.664 1.00 0.00 N ATOM 299 CZ ARG A 19 -3.438 0.767 8.506 1.00 0.00 C ATOM 300 NH1 ARG A 19 -3.271 1.216 9.720 1.00 0.00 N ATOM 301 NH2 ARG A 19 -2.806 -0.307 8.119 1.00 0.00 N ATOM 0 H ARG A 19 -2.905 4.394 3.583 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.227 4.859 5.233 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.178 2.580 5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.674 3.412 6.078 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.414 4.123 8.125 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.934 4.692 7.466 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.003 2.681 9.147 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.989 2.576 7.702 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.382 1.028 6.723 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.765 2.054 10.026 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.647 0.729 10.363 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.936 -0.661 7.171 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.182 -0.792 8.764 1.00 0.00 H new ATOM 315 N VAL A 20 -3.489 6.639 6.368 1.00 0.00 N ATOM 316 CA VAL A 20 -2.824 7.871 6.776 1.00 0.00 C ATOM 317 C VAL A 20 -2.076 7.662 8.084 1.00 0.00 C ATOM 318 O VAL A 20 -2.670 7.329 9.109 1.00 0.00 O ATOM 319 CB VAL A 20 -3.848 8.994 6.947 1.00 0.00 C ATOM 320 CG1 VAL A 20 -3.115 10.327 7.110 1.00 0.00 C ATOM 321 CG2 VAL A 20 -4.756 9.056 5.716 1.00 0.00 C ATOM 0 H VAL A 20 -4.186 6.405 7.075 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.112 8.149 5.999 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.455 8.800 7.831 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.842 11.130 7.232 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.472 10.283 7.989 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.508 10.519 6.225 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.484 9.857 5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.153 9.249 4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.278 8.106 5.601 1.00 0.00 H new ATOM 331 N LYS A 21 -0.766 7.857 8.033 1.00 0.00 N ATOM 332 CA LYS A 21 0.072 7.689 9.208 1.00 0.00 C ATOM 333 C LYS A 21 0.802 8.991 9.527 1.00 0.00 C ATOM 334 O LYS A 21 1.481 9.558 8.670 1.00 0.00 O ATOM 335 CB LYS A 21 1.085 6.574 8.951 1.00 0.00 C ATOM 336 CG LYS A 21 1.520 5.958 10.283 1.00 0.00 C ATOM 337 CD LYS A 21 0.335 5.221 10.912 1.00 0.00 C ATOM 338 CE LYS A 21 0.817 3.907 11.530 1.00 0.00 C ATOM 339 NZ LYS A 21 1.397 3.040 10.465 1.00 0.00 N ATOM 0 H LYS A 21 -0.262 8.132 7.190 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.554 7.424 10.060 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.644 5.809 8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.952 6.971 8.422 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.349 5.268 10.124 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.878 6.736 10.957 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.130 5.845 11.675 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.425 5.022 10.156 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.564 4.107 12.298 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.013 3.396 12.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.169 2.045 10.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.997 3.308 9.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.430 3.161 10.443 1.00 0.00 H new ATOM 353 N ASN A 22 0.653 9.465 10.760 1.00 0.00 N ATOM 354 CA ASN A 22 1.300 10.706 11.170 1.00 0.00 C ATOM 355 C ASN A 22 1.211 11.745 10.054 1.00 0.00 C ATOM 356 O ASN A 22 0.117 12.113 9.628 1.00 0.00 O ATOM 357 CB ASN A 22 2.763 10.442 11.527 1.00 0.00 C ATOM 358 CG ASN A 22 3.305 11.591 12.370 1.00 0.00 C ATOM 359 OD1 ASN A 22 3.818 12.571 11.831 1.00 0.00 O ATOM 360 ND2 ASN A 22 3.219 11.529 13.672 1.00 0.00 N ATOM 0 H ASN A 22 0.096 9.014 11.486 1.00 0.00 H new ATOM 0 HA ASN A 22 0.786 11.094 12.049 1.00 0.00 H new ATOM 0 HB2 ASN A 22 2.849 9.504 12.076 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.355 10.335 10.618 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.577 12.294 14.244 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.793 10.716 14.117 1.00 0.00 H new ATOM 367 N ARG A 23 2.364 12.215 9.582 1.00 0.00 N ATOM 368 CA ARG A 23 2.385 13.210 8.513 1.00 0.00 C ATOM 369 C ARG A 23 2.662 12.546 7.169 1.00 0.00 C ATOM 370 O ARG A 23 2.800 13.220 6.149 1.00 0.00 O ATOM 371 CB ARG A 23 3.454 14.268 8.793 1.00 0.00 C ATOM 372 CG ARG A 23 2.784 15.549 9.291 1.00 0.00 C ATOM 373 CD ARG A 23 2.249 15.321 10.705 1.00 0.00 C ATOM 374 NE ARG A 23 0.986 16.024 10.888 1.00 0.00 N ATOM 375 CZ ARG A 23 0.234 15.810 11.962 1.00 0.00 C ATOM 376 NH1 ARG A 23 0.627 14.964 12.874 1.00 0.00 N ATOM 377 NH2 ARG A 23 -0.896 16.446 12.106 1.00 0.00 N ATOM 0 H ARG A 23 3.283 11.928 9.917 1.00 0.00 H new ATOM 0 HA ARG A 23 1.407 13.690 8.475 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.159 13.900 9.538 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.025 14.472 7.887 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.499 16.372 9.288 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.970 15.831 8.623 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.108 14.254 10.880 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.977 15.671 11.437 1.00 0.00 H new ATOM 0 HE ARG A 23 0.675 16.690 10.181 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.511 14.468 12.762 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.050 14.799 13.699 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.203 17.108 11.394 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.473 16.281 12.931 1.00 0.00 H new ATOM 391 N HIS A 24 2.740 11.220 7.177 1.00 0.00 N ATOM 392 CA HIS A 24 2.997 10.472 5.954 1.00 0.00 C ATOM 393 C HIS A 24 1.752 9.714 5.522 1.00 0.00 C ATOM 394 O HIS A 24 0.876 9.415 6.335 1.00 0.00 O ATOM 395 CB HIS A 24 4.133 9.467 6.177 1.00 0.00 C ATOM 396 CG HIS A 24 5.211 10.102 7.011 1.00 0.00 C ATOM 397 ND1 HIS A 24 6.013 9.366 7.869 1.00 0.00 N ATOM 398 CD2 HIS A 24 5.629 11.404 7.133 1.00 0.00 C ATOM 399 CE1 HIS A 24 6.864 10.222 8.462 1.00 0.00 C ATOM 400 NE2 HIS A 24 6.672 11.477 8.049 1.00 0.00 N ATOM 0 H HIS A 24 2.630 10.645 8.012 1.00 0.00 H new ATOM 0 HA HIS A 24 3.279 11.182 5.177 1.00 0.00 H new ATOM 0 HB2 HIS A 24 3.751 8.576 6.675 1.00 0.00 H new ATOM 0 HB3 HIS A 24 4.542 9.146 5.219 1.00 0.00 H new ATOM 0 HD2 HIS A 24 5.211 12.244 6.598 1.00 0.00 H new ATOM 0 HE1 HIS A 24 7.612 9.930 9.184 1.00 0.00 H new ATOM 0 HE2 HIS A 24 7.181 12.311 8.343 1.00 0.00 H new ATOM 409 N LEU A 25 1.694 9.385 4.242 1.00 0.00 N ATOM 410 CA LEU A 25 0.572 8.635 3.702 1.00 0.00 C ATOM 411 C LEU A 25 1.044 7.240 3.362 1.00 0.00 C ATOM 412 O LEU A 25 2.099 7.077 2.761 1.00 0.00 O ATOM 413 CB LEU A 25 0.044 9.304 2.436 1.00 0.00 C ATOM 414 CG LEU A 25 -0.990 10.369 2.809 1.00 0.00 C ATOM 415 CD1 LEU A 25 -1.170 11.338 1.638 1.00 0.00 C ATOM 416 CD2 LEU A 25 -2.327 9.694 3.121 1.00 0.00 C ATOM 0 H LEU A 25 2.411 9.626 3.557 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.228 8.601 4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.866 9.759 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.407 8.559 1.780 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.646 10.918 3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.906 12.097 1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.218 11.819 1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.514 10.789 0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.064 10.452 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.671 9.145 2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.200 9.003 3.955 1.00 0.00 H new ATOM 428 N ARG A 26 0.258 6.171 3.704 1.00 0.00 N ATOM 429 CA ARG A 26 0.659 4.804 3.428 1.00 0.00 C ATOM 430 C ARG A 26 -0.220 4.181 2.358 1.00 0.00 C ATOM 431 O ARG A 26 -1.439 4.092 2.505 1.00 0.00 O ATOM 432 CB ARG A 26 0.584 3.964 4.703 1.00 0.00 C ATOM 433 CG ARG A 26 0.922 2.505 4.380 1.00 0.00 C ATOM 434 CD ARG A 26 2.143 2.068 5.192 1.00 0.00 C ATOM 435 NE ARG A 26 1.818 2.016 6.613 1.00 0.00 N ATOM 436 CZ ARG A 26 2.629 1.417 7.479 1.00 0.00 C ATOM 437 NH1 ARG A 26 3.731 0.858 7.060 1.00 0.00 N ATOM 438 NH2 ARG A 26 2.324 1.389 8.746 1.00 0.00 N ATOM 0 H ARG A 26 -0.647 6.257 4.167 1.00 0.00 H new ATOM 0 HA ARG A 26 1.687 4.824 3.065 1.00 0.00 H new ATOM 0 HB2 ARG A 26 1.279 4.352 5.447 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.415 4.029 5.135 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.071 1.864 4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.123 2.395 3.314 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.481 1.088 4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.966 2.764 5.026 1.00 0.00 H new ATOM 0 HE ARG A 26 0.955 2.446 6.947 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.970 0.881 6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.354 0.398 7.724 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.463 1.827 9.073 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.947 0.929 9.410 1.00 0.00 H new ATOM 452 N ILE A 27 0.420 3.729 1.292 1.00 0.00 N ATOM 453 CA ILE A 27 -0.290 3.086 0.201 1.00 0.00 C ATOM 454 C ILE A 27 0.041 1.601 0.205 1.00 0.00 C ATOM 455 O ILE A 27 1.036 1.180 0.796 1.00 0.00 O ATOM 456 CB ILE A 27 0.098 3.711 -1.146 1.00 0.00 C ATOM 457 CG1 ILE A 27 -0.897 4.821 -1.495 1.00 0.00 C ATOM 458 CG2 ILE A 27 0.057 2.648 -2.251 1.00 0.00 C ATOM 459 CD1 ILE A 27 -0.250 5.799 -2.476 1.00 0.00 C ATOM 0 H ILE A 27 1.429 3.796 1.160 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.362 3.227 0.339 1.00 0.00 H new ATOM 0 HB ILE A 27 1.106 4.118 -1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.797 4.391 -1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.203 5.346 -0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.334 3.102 -3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.758 1.848 -2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.950 2.238 -2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.959 6.589 -2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.637 6.238 -2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.034 5.268 -3.385 1.00 0.00 H new ATOM 471 N TYR A 28 -0.773 0.875 -0.396 1.00 0.00 N ATOM 472 CA TYR A 28 -0.553 -0.561 -0.448 1.00 0.00 C ATOM 473 C TYR A 28 -0.393 -1.028 -1.889 1.00 0.00 C ATOM 474 O TYR A 28 -0.817 -0.346 -2.822 1.00 0.00 O ATOM 475 CB TYR A 28 -1.727 -1.282 0.200 1.00 0.00 C ATOM 476 CG TYR A 28 -1.623 -1.147 1.700 1.00 0.00 C ATOM 477 CD1 TYR A 28 -0.560 -1.747 2.386 1.00 0.00 C ATOM 478 CD2 TYR A 28 -2.584 -0.413 2.405 1.00 0.00 C ATOM 479 CE1 TYR A 28 -0.458 -1.614 3.777 1.00 0.00 C ATOM 480 CE2 TYR A 28 -2.484 -0.281 3.795 1.00 0.00 C ATOM 481 CZ TYR A 28 -1.421 -0.880 4.482 1.00 0.00 C ATOM 482 OH TYR A 28 -1.322 -0.748 5.854 1.00 0.00 O ATOM 0 H TYR A 28 -1.611 1.206 -0.873 1.00 0.00 H new ATOM 0 HA TYR A 28 0.363 -0.794 0.095 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.668 -0.859 -0.151 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.725 -2.334 -0.084 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.182 -2.313 1.842 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.403 0.052 1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 28 0.362 -2.077 4.305 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.228 0.283 4.338 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.381 -0.806 6.121 1.00 0.00 H new ATOM 492 N ASN A 29 0.226 -2.188 -2.066 1.00 0.00 N ATOM 493 CA ASN A 29 0.439 -2.723 -3.402 1.00 0.00 C ATOM 494 C ASN A 29 -0.785 -3.494 -3.878 1.00 0.00 C ATOM 495 O ASN A 29 -0.808 -4.001 -4.999 1.00 0.00 O ATOM 496 CB ASN A 29 1.658 -3.645 -3.409 1.00 0.00 C ATOM 497 CG ASN A 29 2.912 -2.841 -3.728 1.00 0.00 C ATOM 498 OD1 ASN A 29 2.961 -2.140 -4.739 1.00 0.00 O ATOM 499 ND2 ASN A 29 3.933 -2.899 -2.921 1.00 0.00 N ATOM 0 H ASN A 29 0.586 -2.770 -1.310 1.00 0.00 H new ATOM 0 HA ASN A 29 0.611 -1.887 -4.080 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.763 -4.131 -2.439 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.524 -4.435 -4.148 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.776 -2.363 -3.126 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.889 -3.481 -2.084 1.00 0.00 H new ATOM 506 N MET A 30 -1.802 -3.580 -3.025 1.00 0.00 N ATOM 507 CA MET A 30 -3.017 -4.301 -3.391 1.00 0.00 C ATOM 508 C MET A 30 -4.252 -3.676 -2.752 1.00 0.00 C ATOM 509 O MET A 30 -4.274 -3.413 -1.550 1.00 0.00 O ATOM 510 CB MET A 30 -2.912 -5.764 -2.959 1.00 0.00 C ATOM 511 CG MET A 30 -1.834 -6.469 -3.783 1.00 0.00 C ATOM 512 SD MET A 30 -0.256 -6.394 -2.897 1.00 0.00 S ATOM 513 CE MET A 30 -0.531 -7.826 -1.825 1.00 0.00 C ATOM 0 H MET A 30 -1.811 -3.168 -2.092 1.00 0.00 H new ATOM 0 HA MET A 30 -3.121 -4.241 -4.474 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.669 -5.823 -1.898 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.872 -6.263 -3.095 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.116 -7.507 -3.959 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.738 -5.994 -4.760 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.134 -7.769 -0.963 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.566 -7.832 -1.484 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.326 -8.741 -2.381 1.00 0.00 H new ATOM 523 N CYS A 31 -5.288 -3.453 -3.564 1.00 0.00 N ATOM 524 CA CYS A 31 -6.527 -2.875 -3.051 1.00 0.00 C ATOM 525 C CYS A 31 -7.083 -3.754 -1.933 1.00 0.00 C ATOM 526 O CYS A 31 -6.690 -4.912 -1.795 1.00 0.00 O ATOM 527 CB CYS A 31 -7.562 -2.752 -4.173 1.00 0.00 C ATOM 528 SG CYS A 31 -6.729 -2.335 -5.727 1.00 0.00 S ATOM 0 H CYS A 31 -5.293 -3.661 -4.563 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.313 -1.881 -2.659 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.108 -3.689 -4.282 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.294 -1.984 -3.924 1.00 0.00 H new ATOM 533 N LYS A 32 -7.989 -3.200 -1.132 1.00 0.00 N ATOM 534 CA LYS A 32 -8.576 -3.951 -0.026 1.00 0.00 C ATOM 535 C LYS A 32 -9.013 -5.343 -0.474 1.00 0.00 C ATOM 536 O LYS A 32 -8.656 -6.346 0.142 1.00 0.00 O ATOM 537 CB LYS A 32 -9.783 -3.199 0.534 1.00 0.00 C ATOM 538 CG LYS A 32 -9.825 -3.354 2.057 1.00 0.00 C ATOM 539 CD LYS A 32 -11.279 -3.441 2.524 1.00 0.00 C ATOM 540 CE LYS A 32 -11.323 -3.596 4.046 1.00 0.00 C ATOM 541 NZ LYS A 32 -10.037 -4.177 4.523 1.00 0.00 N ATOM 0 H LYS A 32 -8.330 -2.243 -1.226 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.815 -4.058 0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.722 -2.144 0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.702 -3.587 0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.282 -4.250 2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.330 -2.507 2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.822 -2.545 2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.774 -4.287 2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.493 -2.627 4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.154 -4.240 4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.125 -4.440 5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.809 -5.023 3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.278 -3.475 4.415 1.00 0.00 H new ATOM 555 N THR A 33 -9.793 -5.390 -1.546 1.00 0.00 N ATOM 556 CA THR A 33 -10.284 -6.657 -2.072 1.00 0.00 C ATOM 557 C THR A 33 -9.123 -7.547 -2.488 1.00 0.00 C ATOM 558 O THR A 33 -8.862 -8.582 -1.875 1.00 0.00 O ATOM 559 CB THR A 33 -11.181 -6.398 -3.281 1.00 0.00 C ATOM 560 OG1 THR A 33 -12.128 -5.387 -2.959 1.00 0.00 O ATOM 561 CG2 THR A 33 -11.913 -7.685 -3.659 1.00 0.00 C ATOM 0 H THR A 33 -10.099 -4.568 -2.067 1.00 0.00 H new ATOM 0 HA THR A 33 -10.853 -7.161 -1.291 1.00 0.00 H new ATOM 0 HB THR A 33 -10.572 -6.069 -4.123 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.703 -5.219 -3.734 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.553 -7.500 -4.522 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.186 -8.458 -3.906 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.523 -8.017 -2.819 1.00 0.00 H new ATOM 569 N CYS A 34 -8.427 -7.128 -3.534 1.00 0.00 N ATOM 570 CA CYS A 34 -7.289 -7.879 -4.035 1.00 0.00 C ATOM 571 C CYS A 34 -6.264 -8.087 -2.927 1.00 0.00 C ATOM 572 O CYS A 34 -5.517 -9.066 -2.930 1.00 0.00 O ATOM 573 CB CYS A 34 -6.663 -7.126 -5.200 1.00 0.00 C ATOM 574 SG CYS A 34 -7.770 -5.776 -5.675 1.00 0.00 S ATOM 0 H CYS A 34 -8.631 -6.273 -4.051 1.00 0.00 H new ATOM 0 HA CYS A 34 -7.625 -8.858 -4.378 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.687 -6.733 -4.916 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.503 -7.798 -6.043 1.00 0.00 H new ATOM 579 N PHE A 35 -6.244 -7.161 -1.973 1.00 0.00 N ATOM 580 CA PHE A 35 -5.314 -7.251 -0.853 1.00 0.00 C ATOM 581 C PHE A 35 -5.605 -8.512 -0.060 1.00 0.00 C ATOM 582 O PHE A 35 -4.700 -9.273 0.281 1.00 0.00 O ATOM 583 CB PHE A 35 -5.456 -6.024 0.052 1.00 0.00 C ATOM 584 CG PHE A 35 -4.821 -6.299 1.396 1.00 0.00 C ATOM 585 CD1 PHE A 35 -3.597 -6.977 1.474 1.00 0.00 C ATOM 586 CD2 PHE A 35 -5.456 -5.868 2.568 1.00 0.00 C ATOM 587 CE1 PHE A 35 -3.010 -7.223 2.720 1.00 0.00 C ATOM 588 CE2 PHE A 35 -4.867 -6.115 3.815 1.00 0.00 C ATOM 589 CZ PHE A 35 -3.646 -6.793 3.890 1.00 0.00 C ATOM 0 H PHE A 35 -6.856 -6.346 -1.953 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.294 -7.287 -1.235 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.981 -5.161 -0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -6.510 -5.777 0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.106 -7.310 0.571 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -6.399 -5.345 2.510 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.066 -7.745 2.779 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.356 -5.782 4.719 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.194 -6.985 4.852 1.00 0.00 H new ATOM 599 N ASN A 36 -6.885 -8.734 0.204 1.00 0.00 N ATOM 600 CA ASN A 36 -7.313 -9.914 0.929 1.00 0.00 C ATOM 601 C ASN A 36 -7.015 -11.141 0.088 1.00 0.00 C ATOM 602 O ASN A 36 -6.546 -12.166 0.586 1.00 0.00 O ATOM 603 CB ASN A 36 -8.814 -9.835 1.197 1.00 0.00 C ATOM 604 CG ASN A 36 -9.095 -8.809 2.288 1.00 0.00 C ATOM 605 OD1 ASN A 36 -9.649 -9.149 3.335 1.00 0.00 O ATOM 606 ND2 ASN A 36 -8.744 -7.565 2.105 1.00 0.00 N ATOM 0 H ASN A 36 -7.642 -8.110 -0.075 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.782 -9.976 1.879 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -9.341 -9.560 0.283 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -9.190 -10.812 1.500 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.928 -6.871 2.830 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.286 -7.287 1.237 1.00 0.00 H new ATOM 613 N ASN A 37 -7.287 -11.007 -1.202 1.00 0.00 N ATOM 614 CA ASN A 37 -7.046 -12.086 -2.149 1.00 0.00 C ATOM 615 C ASN A 37 -5.559 -12.339 -2.275 1.00 0.00 C ATOM 616 O ASN A 37 -5.118 -13.476 -2.447 1.00 0.00 O ATOM 617 CB ASN A 37 -7.618 -11.714 -3.516 1.00 0.00 C ATOM 618 CG ASN A 37 -8.139 -12.959 -4.224 1.00 0.00 C ATOM 619 OD1 ASN A 37 -7.588 -13.370 -5.244 1.00 0.00 O ATOM 620 ND2 ASN A 37 -9.175 -13.588 -3.741 1.00 0.00 N ATOM 0 H ASN A 37 -7.675 -10.160 -1.617 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.535 -12.990 -1.787 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.424 -10.990 -3.396 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.849 -11.237 -4.123 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.529 -14.422 -4.209 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.631 -13.246 -2.895 1.00 0.00 H new ATOM 627 N SER A 38 -4.794 -11.266 -2.175 1.00 0.00 N ATOM 628 CA SER A 38 -3.350 -11.370 -2.267 1.00 0.00 C ATOM 629 C SER A 38 -2.853 -12.284 -1.173 1.00 0.00 C ATOM 630 O SER A 38 -1.880 -13.016 -1.348 1.00 0.00 O ATOM 631 CB SER A 38 -2.701 -9.999 -2.118 1.00 0.00 C ATOM 632 OG SER A 38 -2.007 -9.943 -0.879 1.00 0.00 O ATOM 0 H SER A 38 -5.146 -10.320 -2.031 1.00 0.00 H new ATOM 0 HA SER A 38 -3.085 -11.774 -3.244 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.012 -9.818 -2.943 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.460 -9.218 -2.159 1.00 0.00 H new ATOM 0 HG SER A 38 -2.633 -9.703 -0.164 1.00 0.00 H new ATOM 638 N ILE A 39 -3.550 -12.267 -0.045 1.00 0.00 N ATOM 639 CA ILE A 39 -3.171 -13.136 1.048 1.00 0.00 C ATOM 640 C ILE A 39 -3.394 -14.559 0.593 1.00 0.00 C ATOM 641 O ILE A 39 -2.682 -15.483 0.979 1.00 0.00 O ATOM 642 CB ILE A 39 -3.999 -12.839 2.298 1.00 0.00 C ATOM 643 CG1 ILE A 39 -4.263 -11.337 2.384 1.00 0.00 C ATOM 644 CG2 ILE A 39 -3.228 -13.293 3.540 1.00 0.00 C ATOM 645 CD1 ILE A 39 -4.945 -11.011 3.715 1.00 0.00 C ATOM 0 H ILE A 39 -4.361 -11.674 0.131 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.126 -12.974 1.310 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.947 -13.374 2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.325 -10.787 2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.894 -11.020 1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.818 -13.082 4.432 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.036 -14.364 3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.281 -12.757 3.596 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.133 -9.939 3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.891 -11.549 3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.298 -11.313 4.539 1.00 0.00 H new ATOM 657 N LYS A 40 -4.383 -14.705 -0.273 1.00 0.00 N ATOM 658 CA LYS A 40 -4.703 -15.996 -0.847 1.00 0.00 C ATOM 659 C LYS A 40 -3.721 -16.291 -1.970 1.00 0.00 C ATOM 660 O LYS A 40 -2.856 -17.159 -1.862 1.00 0.00 O ATOM 661 CB LYS A 40 -6.127 -15.982 -1.401 1.00 0.00 C ATOM 662 CG LYS A 40 -6.988 -16.993 -0.639 1.00 0.00 C ATOM 663 CD LYS A 40 -6.709 -18.402 -1.167 1.00 0.00 C ATOM 664 CE LYS A 40 -7.042 -19.432 -0.086 1.00 0.00 C ATOM 665 NZ LYS A 40 -8.521 -19.592 0.010 1.00 0.00 N ATOM 0 H LYS A 40 -4.978 -13.941 -0.593 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.632 -16.766 -0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.554 -14.983 -1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.117 -16.226 -2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.768 -16.943 0.427 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.044 -16.751 -0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.305 -18.591 -2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.662 -18.491 -1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.577 -20.388 -0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.637 -19.111 0.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.747 -20.292 0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.954 -18.679 0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.895 -19.917 -0.904 1.00 0.00 H new ATOM 679 N SER A 41 -3.880 -15.535 -3.051 1.00 0.00 N ATOM 680 CA SER A 41 -3.027 -15.671 -4.222 1.00 0.00 C ATOM 681 C SER A 41 -1.605 -15.209 -3.923 1.00 0.00 C ATOM 682 O SER A 41 -0.637 -15.926 -4.184 1.00 0.00 O ATOM 683 CB SER A 41 -3.595 -14.845 -5.376 1.00 0.00 C ATOM 684 OG SER A 41 -4.537 -15.628 -6.098 1.00 0.00 O ATOM 0 H SER A 41 -4.599 -14.816 -3.139 1.00 0.00 H new ATOM 0 HA SER A 41 -2.999 -16.725 -4.499 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.073 -13.944 -4.992 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.791 -14.522 -6.037 1.00 0.00 H new ATOM 0 HG SER A 41 -4.904 -15.099 -6.837 1.00 0.00 H new ATOM 690 N GLY A 42 -1.490 -13.996 -3.389 1.00 0.00 N ATOM 691 CA GLY A 42 -0.185 -13.425 -3.071 1.00 0.00 C ATOM 692 C GLY A 42 0.503 -14.220 -1.972 1.00 0.00 C ATOM 693 O GLY A 42 1.705 -14.476 -2.038 1.00 0.00 O ATOM 0 H GLY A 42 -2.281 -13.392 -3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.440 -13.416 -3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.304 -12.389 -2.755 1.00 0.00 H new ATOM 697 N ASP A 43 -0.270 -14.608 -0.967 1.00 0.00 N ATOM 698 CA ASP A 43 0.273 -15.380 0.143 1.00 0.00 C ATOM 699 C ASP A 43 1.340 -14.585 0.881 1.00 0.00 C ATOM 700 O ASP A 43 1.214 -14.312 2.075 1.00 0.00 O ATOM 701 CB ASP A 43 0.867 -16.683 -0.387 1.00 0.00 C ATOM 702 CG ASP A 43 1.460 -17.496 0.759 1.00 0.00 C ATOM 703 OD1 ASP A 43 1.944 -16.891 1.702 1.00 0.00 O ATOM 704 OD2 ASP A 43 1.424 -18.712 0.676 1.00 0.00 O ATOM 0 H ASP A 43 -1.267 -14.403 -0.897 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.532 -15.603 0.843 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.096 -17.263 -0.893 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.639 -16.466 -1.126 1.00 0.00 H new ATOM 709 N ASP A 44 2.390 -14.215 0.163 1.00 0.00 N ATOM 710 CA ASP A 44 3.478 -13.449 0.758 1.00 0.00 C ATOM 711 C ASP A 44 4.531 -13.119 -0.290 1.00 0.00 C ATOM 712 O ASP A 44 5.731 -13.229 -0.036 1.00 0.00 O ATOM 713 CB ASP A 44 4.119 -14.250 1.894 1.00 0.00 C ATOM 714 CG ASP A 44 4.838 -13.310 2.856 1.00 0.00 C ATOM 715 OD1 ASP A 44 5.452 -12.368 2.384 1.00 0.00 O ATOM 716 OD2 ASP A 44 4.766 -13.549 4.050 1.00 0.00 O ATOM 0 H ASP A 44 2.513 -14.430 -0.826 1.00 0.00 H new ATOM 0 HA ASP A 44 3.071 -12.519 1.155 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.355 -14.815 2.428 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.824 -14.975 1.486 1.00 0.00 H new ATOM 721 N THR A 45 4.076 -12.718 -1.472 1.00 0.00 N ATOM 722 CA THR A 45 4.991 -12.378 -2.553 1.00 0.00 C ATOM 723 C THR A 45 4.787 -10.937 -3.009 1.00 0.00 C ATOM 724 O THR A 45 5.748 -10.235 -3.323 1.00 0.00 O ATOM 725 CB THR A 45 4.770 -13.320 -3.735 1.00 0.00 C ATOM 726 OG1 THR A 45 5.751 -13.064 -4.730 1.00 0.00 O ATOM 727 CG2 THR A 45 3.376 -13.091 -4.318 1.00 0.00 C ATOM 0 H THR A 45 3.087 -12.621 -1.704 1.00 0.00 H new ATOM 0 HA THR A 45 6.010 -12.484 -2.181 1.00 0.00 H new ATOM 0 HB THR A 45 4.854 -14.353 -3.399 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.612 -13.668 -5.489 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.219 -13.764 -5.161 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.625 -13.287 -3.553 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.288 -12.059 -4.656 1.00 0.00 H new ATOM 735 N TYR A 46 3.531 -10.502 -3.051 1.00 0.00 N ATOM 736 CA TYR A 46 3.219 -9.142 -3.479 1.00 0.00 C ATOM 737 C TYR A 46 2.819 -8.274 -2.291 1.00 0.00 C ATOM 738 O TYR A 46 2.050 -7.323 -2.435 1.00 0.00 O ATOM 739 CB TYR A 46 2.086 -9.167 -4.506 1.00 0.00 C ATOM 740 CG TYR A 46 2.355 -8.136 -5.576 1.00 0.00 C ATOM 741 CD1 TYR A 46 3.541 -8.191 -6.319 1.00 0.00 C ATOM 742 CD2 TYR A 46 1.421 -7.123 -5.822 1.00 0.00 C ATOM 743 CE1 TYR A 46 3.792 -7.233 -7.309 1.00 0.00 C ATOM 744 CE2 TYR A 46 1.671 -6.166 -6.813 1.00 0.00 C ATOM 745 CZ TYR A 46 2.857 -6.220 -7.555 1.00 0.00 C ATOM 746 OH TYR A 46 3.104 -5.275 -8.531 1.00 0.00 O ATOM 0 H TYR A 46 2.720 -11.065 -2.797 1.00 0.00 H new ATOM 0 HA TYR A 46 4.112 -8.713 -3.933 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.007 -10.158 -4.952 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.134 -8.960 -4.018 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.262 -8.972 -6.128 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.508 -7.080 -5.247 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.706 -7.275 -7.882 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.949 -5.386 -7.005 1.00 0.00 H new ATOM 0 HH TYR A 46 2.354 -4.645 -8.574 1.00 0.00 H new ATOM 756 N HIS A 47 3.353 -8.597 -1.119 1.00 0.00 N ATOM 757 CA HIS A 47 3.048 -7.827 0.081 1.00 0.00 C ATOM 758 C HIS A 47 4.014 -6.654 0.212 1.00 0.00 C ATOM 759 O HIS A 47 5.113 -6.796 0.748 1.00 0.00 O ATOM 760 CB HIS A 47 3.142 -8.720 1.323 1.00 0.00 C ATOM 761 CG HIS A 47 1.764 -9.185 1.715 1.00 0.00 C ATOM 762 ND1 HIS A 47 1.028 -10.060 0.931 1.00 0.00 N ATOM 763 CD2 HIS A 47 0.977 -8.908 2.808 1.00 0.00 C ATOM 764 CE1 HIS A 47 -0.145 -10.277 1.556 1.00 0.00 C ATOM 765 NE2 HIS A 47 -0.227 -9.600 2.704 1.00 0.00 N ATOM 0 H HIS A 47 3.993 -9.378 -0.974 1.00 0.00 H new ATOM 0 HA HIS A 47 2.031 -7.443 -0.001 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.782 -9.578 1.119 1.00 0.00 H new ATOM 0 HB3 HIS A 47 3.599 -8.170 2.145 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.251 -8.254 3.623 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.924 -10.920 1.175 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -1.005 -9.592 3.364 1.00 0.00 H new ATOM 774 N GLY A 48 3.593 -5.495 -0.284 1.00 0.00 N ATOM 775 CA GLY A 48 4.421 -4.297 -0.222 1.00 0.00 C ATOM 776 C GLY A 48 3.555 -3.053 -0.055 1.00 0.00 C ATOM 777 O GLY A 48 2.362 -3.074 -0.354 1.00 0.00 O ATOM 0 H GLY A 48 2.686 -5.361 -0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.120 -4.374 0.611 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.016 -4.213 -1.131 1.00 0.00 H new ATOM 781 N HIS A 49 4.155 -1.972 0.431 1.00 0.00 N ATOM 782 CA HIS A 49 3.408 -0.737 0.640 1.00 0.00 C ATOM 783 C HIS A 49 4.242 0.477 0.257 1.00 0.00 C ATOM 784 O HIS A 49 5.461 0.397 0.149 1.00 0.00 O ATOM 785 CB HIS A 49 2.983 -0.624 2.104 1.00 0.00 C ATOM 786 CG HIS A 49 4.119 -1.080 2.978 1.00 0.00 C ATOM 787 ND1 HIS A 49 4.768 -2.287 2.771 1.00 0.00 N ATOM 788 CD2 HIS A 49 4.744 -0.498 4.054 1.00 0.00 C ATOM 789 CE1 HIS A 49 5.734 -2.393 3.702 1.00 0.00 C ATOM 790 NE2 HIS A 49 5.763 -1.331 4.509 1.00 0.00 N ATOM 0 H HIS A 49 5.142 -1.925 0.684 1.00 0.00 H new ATOM 0 HA HIS A 49 2.523 -0.765 0.004 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.716 0.406 2.340 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.098 -1.233 2.288 1.00 0.00 H new ATOM 0 HD2 HIS A 49 4.485 0.459 4.482 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.404 -3.236 3.786 1.00 0.00 H new ATOM 0 HE2 HIS A 49 6.396 -1.165 5.291 1.00 0.00 H new ATOM 799 N VAL A 50 3.910 1.616 -0.072 1.00 0.00 N ATOM 800 CA VAL A 50 4.592 2.843 -0.452 1.00 0.00 C ATOM 801 C VAL A 50 4.266 3.965 0.534 1.00 0.00 C ATOM 802 O VAL A 50 3.098 4.220 0.828 1.00 0.00 O ATOM 803 CB VAL A 50 4.155 3.246 -1.861 1.00 0.00 C ATOM 804 CG1 VAL A 50 4.326 4.751 -2.039 1.00 0.00 C ATOM 805 CG2 VAL A 50 5.004 2.501 -2.897 1.00 0.00 C ATOM 0 H VAL A 50 2.908 1.803 -0.103 1.00 0.00 H new ATOM 0 HA VAL A 50 5.668 2.672 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 50 3.106 2.985 -2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.014 5.036 -3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.713 5.276 -1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.373 5.018 -1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.690 2.790 -3.900 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.055 2.756 -2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.872 1.426 -2.771 1.00 0.00 H new ATOM 815 N ASP A 51 4.965 4.615 1.172 1.00 0.00 N ATOM 816 CA ASP A 51 4.753 5.704 2.119 1.00 0.00 C ATOM 817 C ASP A 51 5.195 7.027 1.514 1.00 0.00 C ATOM 818 O ASP A 51 6.244 7.110 0.875 1.00 0.00 O ATOM 819 CB ASP A 51 5.524 5.460 3.420 1.00 0.00 C ATOM 820 CG ASP A 51 5.243 4.054 3.941 1.00 0.00 C ATOM 821 OD1 ASP A 51 4.643 3.282 3.211 1.00 0.00 O ATOM 822 OD2 ASP A 51 5.630 3.772 5.063 1.00 0.00 O ATOM 0 H ASP A 51 5.967 4.437 1.103 1.00 0.00 H new ATOM 0 HA ASP A 51 3.687 5.745 2.343 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.593 5.585 3.247 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.233 6.198 4.168 1.00 0.00 H new ATOM 827 N TRP A 52 4.391 8.060 1.723 1.00 0.00 N ATOM 828 CA TRP A 52 4.713 9.377 1.198 1.00 0.00 C ATOM 829 C TRP A 52 5.076 10.321 2.335 1.00 0.00 C ATOM 830 O TRP A 52 4.437 10.311 3.385 1.00 0.00 O ATOM 831 CB TRP A 52 3.515 9.938 0.425 1.00 0.00 C ATOM 832 CG TRP A 52 3.979 10.475 -0.891 1.00 0.00 C ATOM 833 CD1 TRP A 52 4.764 11.565 -1.050 1.00 0.00 C ATOM 834 CD2 TRP A 52 3.706 9.968 -2.229 1.00 0.00 C ATOM 835 NE1 TRP A 52 4.990 11.759 -2.401 1.00 0.00 N ATOM 836 CE2 TRP A 52 4.359 10.800 -3.168 1.00 0.00 C ATOM 837 CE3 TRP A 52 2.962 8.877 -2.716 1.00 0.00 C ATOM 838 CZ2 TRP A 52 4.278 10.561 -4.541 1.00 0.00 C ATOM 839 CZ3 TRP A 52 2.878 8.632 -4.096 1.00 0.00 C ATOM 840 CH2 TRP A 52 3.536 9.473 -5.005 1.00 0.00 C ATOM 0 H TRP A 52 3.518 8.012 2.248 1.00 0.00 H new ATOM 0 HA TRP A 52 5.566 9.287 0.525 1.00 0.00 H new ATOM 0 HB2 TRP A 52 2.771 9.157 0.269 1.00 0.00 H new ATOM 0 HB3 TRP A 52 3.033 10.727 1.002 1.00 0.00 H new ATOM 0 HD1 TRP A 52 5.151 12.183 -0.253 1.00 0.00 H new ATOM 0 HE1 TRP A 52 5.554 12.518 -2.784 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.452 8.224 -2.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.785 11.212 -5.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.304 7.792 -4.459 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.469 9.279 -6.065 1.00 0.00 H new ATOM 851 N LEU A 53 6.098 11.141 2.122 1.00 0.00 N ATOM 852 CA LEU A 53 6.525 12.083 3.148 1.00 0.00 C ATOM 853 C LEU A 53 6.137 13.497 2.742 1.00 0.00 C ATOM 854 O LEU A 53 5.913 13.776 1.563 1.00 0.00 O ATOM 855 CB LEU A 53 8.042 11.996 3.342 1.00 0.00 C ATOM 856 CG LEU A 53 8.384 12.181 4.822 1.00 0.00 C ATOM 857 CD1 LEU A 53 8.431 10.817 5.512 1.00 0.00 C ATOM 858 CD2 LEU A 53 9.752 12.857 4.947 1.00 0.00 C ATOM 0 H LEU A 53 6.641 11.173 1.259 1.00 0.00 H new ATOM 0 HA LEU A 53 6.033 11.832 4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.408 11.031 2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.539 12.761 2.746 1.00 0.00 H new ATOM 0 HG LEU A 53 7.622 12.802 5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.675 10.951 6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.460 10.331 5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.192 10.196 5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.997 12.990 6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.510 12.234 4.473 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.723 13.830 4.456 1.00 0.00 H new ATOM 870 N MET A 54 6.052 14.388 3.721 1.00 0.00 N ATOM 871 CA MET A 54 5.683 15.762 3.444 1.00 0.00 C ATOM 872 C MET A 54 6.816 16.462 2.711 1.00 0.00 C ATOM 873 O MET A 54 6.968 17.681 2.789 1.00 0.00 O ATOM 874 CB MET A 54 5.373 16.491 4.753 1.00 0.00 C ATOM 875 CG MET A 54 6.669 16.718 5.535 1.00 0.00 C ATOM 876 SD MET A 54 6.377 16.392 7.292 1.00 0.00 S ATOM 877 CE MET A 54 8.081 16.618 7.854 1.00 0.00 C ATOM 0 H MET A 54 6.232 14.183 4.704 1.00 0.00 H new ATOM 0 HA MET A 54 4.793 15.774 2.814 1.00 0.00 H new ATOM 0 HB2 MET A 54 4.891 17.446 4.544 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.674 15.905 5.350 1.00 0.00 H new ATOM 0 HG2 MET A 54 7.454 16.062 5.158 1.00 0.00 H new ATOM 0 HG3 MET A 54 7.015 17.742 5.397 1.00 0.00 H new ATOM 0 HE1 MET A 54 8.133 16.461 8.931 1.00 0.00 H new ATOM 0 HE2 MET A 54 8.728 15.900 7.351 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.410 17.630 7.619 1.00 0.00 H new ATOM 887 N TYR A 55 7.617 15.672 2.002 1.00 0.00 N ATOM 888 CA TYR A 55 8.745 16.213 1.263 1.00 0.00 C ATOM 889 C TYR A 55 9.231 15.221 0.205 1.00 0.00 C ATOM 890 O TYR A 55 9.546 15.607 -0.921 1.00 0.00 O ATOM 891 CB TYR A 55 9.884 16.530 2.234 1.00 0.00 C ATOM 892 CG TYR A 55 10.274 17.983 2.110 1.00 0.00 C ATOM 893 CD1 TYR A 55 9.599 18.951 2.862 1.00 0.00 C ATOM 894 CD2 TYR A 55 11.306 18.364 1.243 1.00 0.00 C ATOM 895 CE1 TYR A 55 9.959 20.299 2.750 1.00 0.00 C ATOM 896 CE2 TYR A 55 11.664 19.712 1.131 1.00 0.00 C ATOM 897 CZ TYR A 55 10.991 20.680 1.884 1.00 0.00 C ATOM 898 OH TYR A 55 11.345 22.009 1.775 1.00 0.00 O ATOM 0 H TYR A 55 7.504 14.661 1.926 1.00 0.00 H new ATOM 0 HA TYR A 55 8.425 17.124 0.757 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.573 16.314 3.256 1.00 0.00 H new ATOM 0 HB3 TYR A 55 10.743 15.894 2.021 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.801 18.658 3.528 1.00 0.00 H new ATOM 0 HD2 TYR A 55 11.825 17.617 0.661 1.00 0.00 H new ATOM 0 HE1 TYR A 55 9.440 21.046 3.332 1.00 0.00 H new ATOM 0 HE2 TYR A 55 12.460 20.005 0.463 1.00 0.00 H new ATOM 0 HH TYR A 55 12.079 22.100 1.132 1.00 0.00 H new ATOM 908 N THR A 56 9.294 13.944 0.576 1.00 0.00 N ATOM 909 CA THR A 56 9.751 12.910 -0.346 1.00 0.00 C ATOM 910 C THR A 56 8.924 11.637 -0.183 1.00 0.00 C ATOM 911 O THR A 56 8.276 11.435 0.843 1.00 0.00 O ATOM 912 CB THR A 56 11.228 12.602 -0.089 1.00 0.00 C ATOM 913 OG1 THR A 56 11.601 11.438 -0.811 1.00 0.00 O ATOM 914 CG2 THR A 56 11.450 12.372 1.407 1.00 0.00 C ATOM 0 H THR A 56 9.036 13.603 1.502 1.00 0.00 H new ATOM 0 HA THR A 56 9.627 13.277 -1.365 1.00 0.00 H new ATOM 0 HB THR A 56 11.838 13.443 -0.419 1.00 0.00 H new ATOM 0 HG1 THR A 56 12.547 11.241 -0.648 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.502 12.153 1.589 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.165 13.268 1.959 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.841 11.531 1.740 1.00 0.00 H new ATOM 922 N ASP A 57 8.951 10.781 -1.201 1.00 0.00 N ATOM 923 CA ASP A 57 8.200 9.530 -1.154 1.00 0.00 C ATOM 924 C ASP A 57 9.151 8.336 -1.122 1.00 0.00 C ATOM 925 O ASP A 57 10.309 8.443 -1.526 1.00 0.00 O ATOM 926 CB ASP A 57 7.282 9.426 -2.375 1.00 0.00 C ATOM 927 CG ASP A 57 7.770 10.360 -3.478 1.00 0.00 C ATOM 928 OD1 ASP A 57 7.497 11.545 -3.386 1.00 0.00 O ATOM 929 OD2 ASP A 57 8.409 9.877 -4.399 1.00 0.00 O ATOM 0 H ASP A 57 9.479 10.928 -2.061 1.00 0.00 H new ATOM 0 HA ASP A 57 7.596 9.522 -0.246 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.263 8.399 -2.739 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.261 9.684 -2.095 1.00 0.00 H new ATOM 934 N ALA A 58 8.656 7.198 -0.637 1.00 0.00 N ATOM 935 CA ALA A 58 9.476 5.994 -0.558 1.00 0.00 C ATOM 936 C ALA A 58 8.660 4.762 -0.941 1.00 0.00 C ATOM 937 O ALA A 58 7.436 4.752 -0.817 1.00 0.00 O ATOM 938 CB ALA A 58 10.020 5.827 0.865 1.00 0.00 C ATOM 0 H ALA A 58 7.701 7.086 -0.297 1.00 0.00 H new ATOM 0 HA ALA A 58 10.307 6.096 -1.256 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.631 4.926 0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.627 6.694 1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.189 5.742 1.565 1.00 0.00 H new ATOM 944 N LYS A 59 9.350 3.724 -1.404 1.00 0.00 N ATOM 945 CA LYS A 59 8.680 2.488 -1.800 1.00 0.00 C ATOM 946 C LYS A 59 9.396 1.277 -1.221 1.00 0.00 C ATOM 947 O LYS A 59 10.625 1.203 -1.246 1.00 0.00 O ATOM 948 CB LYS A 59 8.669 2.347 -3.322 1.00 0.00 C ATOM 949 CG LYS A 59 7.712 3.365 -3.939 1.00 0.00 C ATOM 950 CD LYS A 59 8.360 3.986 -5.180 1.00 0.00 C ATOM 951 CE LYS A 59 9.499 4.916 -4.756 1.00 0.00 C ATOM 952 NZ LYS A 59 9.714 5.951 -5.807 1.00 0.00 N ATOM 0 H LYS A 59 10.364 3.712 -1.514 1.00 0.00 H new ATOM 0 HA LYS A 59 7.660 2.535 -1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.674 2.497 -3.716 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.366 1.337 -3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.773 2.881 -4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.473 4.142 -3.213 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.742 3.202 -5.834 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.616 4.542 -5.751 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.259 5.392 -3.805 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.413 4.342 -4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.488 6.583 -5.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.961 5.488 -6.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.843 6.505 -5.932 1.00 0.00 H new ATOM 966 N GLU A 60 8.626 0.316 -0.728 1.00 0.00 N ATOM 967 CA GLU A 60 9.215 -0.897 -0.183 1.00 0.00 C ATOM 968 C GLU A 60 8.376 -2.106 -0.576 1.00 0.00 C ATOM 969 O GLU A 60 7.608 -2.634 0.228 1.00 0.00 O ATOM 970 CB GLU A 60 9.326 -0.807 1.341 1.00 0.00 C ATOM 971 CG GLU A 60 8.061 -0.170 1.916 1.00 0.00 C ATOM 972 CD GLU A 60 8.382 1.203 2.494 1.00 0.00 C ATOM 973 OE1 GLU A 60 8.924 2.020 1.766 1.00 0.00 O ATOM 974 OE2 GLU A 60 8.081 1.419 3.656 1.00 0.00 O ATOM 0 H GLU A 60 7.607 0.352 -0.695 1.00 0.00 H new ATOM 0 HA GLU A 60 10.218 -1.009 -0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.468 -1.802 1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.199 -0.216 1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.305 -0.077 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.642 -0.811 2.692 1.00 0.00 H new ATOM 981 N PHE A 61 8.537 -2.540 -1.822 1.00 0.00 N ATOM 982 CA PHE A 61 7.800 -3.692 -2.327 1.00 0.00 C ATOM 983 C PHE A 61 8.121 -4.930 -1.497 1.00 0.00 C ATOM 984 O PHE A 61 7.251 -5.763 -1.241 1.00 0.00 O ATOM 985 CB PHE A 61 8.170 -3.946 -3.790 1.00 0.00 C ATOM 986 CG PHE A 61 8.696 -2.669 -4.401 1.00 0.00 C ATOM 987 CD1 PHE A 61 7.802 -1.713 -4.897 1.00 0.00 C ATOM 988 CD2 PHE A 61 10.076 -2.439 -4.470 1.00 0.00 C ATOM 989 CE1 PHE A 61 8.286 -0.527 -5.460 1.00 0.00 C ATOM 990 CE2 PHE A 61 10.561 -1.253 -5.033 1.00 0.00 C ATOM 991 CZ PHE A 61 9.665 -0.296 -5.529 1.00 0.00 C ATOM 0 H PHE A 61 9.169 -2.113 -2.499 1.00 0.00 H new ATOM 0 HA PHE A 61 6.733 -3.483 -2.254 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.923 -4.731 -3.855 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.297 -4.295 -4.342 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.738 -1.891 -4.845 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.766 -3.177 -4.089 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.595 0.211 -5.841 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.625 -1.075 -5.085 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.038 0.619 -5.964 1.00 0.00 H new ATOM 1001 N SER A 62 9.376 -5.038 -1.074 1.00 0.00 N ATOM 1002 CA SER A 62 9.807 -6.172 -0.267 1.00 0.00 C ATOM 1003 C SER A 62 10.690 -5.698 0.885 1.00 0.00 C ATOM 1004 O SER A 62 10.759 -4.503 1.171 1.00 0.00 O ATOM 1005 CB SER A 62 10.579 -7.167 -1.132 1.00 0.00 C ATOM 1006 OG SER A 62 11.922 -7.249 -0.670 1.00 0.00 O ATOM 0 H SER A 62 10.109 -4.358 -1.276 1.00 0.00 H new ATOM 0 HA SER A 62 8.924 -6.662 0.143 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.106 -8.148 -1.087 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.560 -6.851 -2.175 1.00 0.00 H new ATOM 0 HG SER A 62 12.419 -7.888 -1.222 1.00 0.00 H new ATOM 1012 N SER A 63 11.362 -6.638 1.541 1.00 0.00 N ATOM 1013 CA SER A 63 12.235 -6.296 2.660 1.00 0.00 C ATOM 1014 C SER A 63 13.515 -7.123 2.619 1.00 0.00 C ATOM 1015 O SER A 63 14.013 -7.566 3.653 1.00 0.00 O ATOM 1016 CB SER A 63 11.508 -6.542 3.983 1.00 0.00 C ATOM 1017 OG SER A 63 11.369 -7.942 4.189 1.00 0.00 O ATOM 0 H SER A 63 11.321 -7.633 1.321 1.00 0.00 H new ATOM 0 HA SER A 63 12.498 -5.241 2.579 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.065 -6.095 4.806 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.528 -6.066 3.967 1.00 0.00 H new ATOM 0 HG SER A 63 10.905 -8.103 5.037 1.00 0.00 H new ATOM 1023 N THR A 64 14.043 -7.328 1.416 1.00 0.00 N ATOM 1024 CA THR A 64 15.266 -8.103 1.252 1.00 0.00 C ATOM 1025 C THR A 64 16.491 -7.214 1.427 1.00 0.00 C ATOM 1026 CB THR A 64 15.292 -8.744 -0.137 1.00 0.00 C ATOM 1027 OG1 THR A 64 16.450 -9.555 -0.261 1.00 0.00 O ATOM 1028 CG2 THR A 64 15.317 -7.649 -1.205 1.00 0.00 C ATOM 0 H THR A 64 13.646 -6.971 0.547 1.00 0.00 H new ATOM 0 HA THR A 64 15.287 -8.882 2.014 1.00 0.00 H new ATOM 0 HB THR A 64 14.402 -9.359 -0.271 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.467 -9.968 -1.150 1.00 0.00 H new ATOM 0 HG21 THR A 64 15.336 -8.106 -2.194 1.00 0.00 H new ATOM 0 HG22 THR A 64 14.427 -7.027 -1.109 1.00 0.00 H new ATOM 0 HG23 THR A 64 16.206 -7.033 -1.073 1.00 0.00 H new TER 1036 THR A 64 HETATM 1037 ZN ZN A1319 -6.229 -4.402 -6.906 1.00 0.00 ZN HETATM 1038 PG ATP A1318 2.372 0.543 12.178 1.00 0.00 P HETATM 1039 O1G ATP A1318 1.185 1.430 12.187 1.00 0.00 O HETATM 1040 O2G ATP A1318 2.476 -0.227 13.590 1.00 0.00 O HETATM 1041 O3G ATP A1318 3.701 1.417 11.938 1.00 0.00 O HETATM 1042 PB ATP A1318 0.663 -0.590 10.597 1.00 0.00 P HETATM 1043 O1B ATP A1318 -0.164 -0.520 11.823 1.00 0.00 O HETATM 1044 O2B ATP A1318 0.301 0.655 9.640 1.00 0.00 O HETATM 1045 O3B ATP A1318 2.223 -0.538 10.991 1.00 0.00 O HETATM 1046 PA ATP A1318 1.276 -2.015 8.511 1.00 0.00 P HETATM 1047 O1A ATP A1318 2.700 -1.930 8.902 1.00 0.00 O HETATM 1048 O2A ATP A1318 0.911 -0.780 7.542 1.00 0.00 O HETATM 1049 O3A ATP A1318 0.346 -1.971 9.826 1.00 0.00 O HETATM 1050 O5' ATP A1318 1.025 -3.401 7.729 1.00 0.00 O HETATM 1051 C5' ATP A1318 1.537 -3.227 6.406 1.00 0.00 C HETATM 1052 C4' ATP A1318 2.583 -4.304 6.112 1.00 0.00 C HETATM 1053 O4' ATP A1318 1.962 -5.512 5.598 1.00 0.00 O HETATM 1054 C3' ATP A1318 3.581 -3.845 5.043 1.00 0.00 C HETATM 1055 O3' ATP A1318 4.886 -4.364 5.310 1.00 0.00 O HETATM 1056 C2' ATP A1318 2.999 -4.372 3.727 1.00 0.00 C HETATM 1057 O2' ATP A1318 4.028 -4.909 2.891 1.00 0.00 O HETATM 1058 C1' ATP A1318 1.961 -5.440 4.140 1.00 0.00 C HETATM 1059 N9 ATP A1318 0.630 -5.068 3.650 1.00 0.00 N HETATM 1060 C8 ATP A1318 -0.421 -4.636 4.411 1.00 0.00 C HETATM 1061 N7 ATP A1318 -1.485 -4.501 3.674 1.00 0.00 N HETATM 1062 C5 ATP A1318 -1.155 -4.715 2.380 1.00 0.00 C HETATM 1063 C6 ATP A1318 -1.830 -4.641 1.135 1.00 0.00 C HETATM 1064 N6 ATP A1318 -3.187 -4.387 1.088 1.00 0.00 N HETATM 1065 N1 ATP A1318 -1.121 -4.814 -0.012 1.00 0.00 N HETATM 1066 C2 ATP A1318 0.153 -5.227 0.002 1.00 0.00 C HETATM 1067 N3 ATP A1318 0.793 -5.403 1.160 1.00 0.00 N HETATM 1068 C4 ATP A1318 0.210 -5.099 2.345 1.00 0.00 C HETATM 0 HO3' ATP A1318 5.172 -4.930 4.563 1.00 0.00 H new HETATM 0 HO2' ATP A1318 4.552 -4.176 2.505 1.00 0.00 H new HETATM 0 HN62 ATP A1318 -3.665 -4.335 0.189 1.00 0.00 H new HETATM 0 HN61 ATP A1318 -3.711 -4.251 1.953 1.00 0.00 H new HETATM 0 H5'2 ATP A1318 0.725 -3.287 5.681 1.00 0.00 H new HETATM 0 H5'1 ATP A1318 1.982 -2.237 6.305 1.00 0.00 H new HETATM 0 H8 ATP A1318 -0.374 -4.434 5.481 1.00 0.00 H new HETATM 0 H4' ATP A1318 3.090 -4.493 7.058 1.00 0.00 H new HETATM 0 H3' ATP A1318 3.708 -2.763 5.016 1.00 0.00 H new HETATM 0 H2' ATP A1318 2.533 -3.584 3.136 1.00 0.00 H new HETATM 0 H2 ATP A1318 0.670 -5.421 -0.938 1.00 0.00 H new HETATM 0 H1' ATP A1318 2.216 -6.409 3.710 1.00 0.00 H new