USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 830 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 1.18 (180deg=0.938) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -165:sc= -0.0455 (180deg=-0.328) USER MOD Single : A 12 SER OG : rot 19:sc= -0.119 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -86:sc= 1.16 USER MOD Single : A 21 MET CE :methyl -154:sc= -1.61 (180deg=-2.71) USER MOD Single : A 22 THR OG1 : rot 78:sc= 1.19 USER MOD Single : A 30 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.0069) USER MOD Single : A 31 THR OG1 : rot 170:sc= -0.0372 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 0.94 (180deg=0.843) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 97:sc= 1.24 USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0121) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 59 THR OG1 : rot 82:sc= 0.0675 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -1.47 K(o=-1.5,f=-5.8!) USER MOD Single : A 69 SER OG : rot 84:sc= 1.26 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.032 X(o=-0.032,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 164:sc= -0.0865 (180deg=-0.353) USER MOD Single : A 83 LYS NZ :NH3+ -179:sc= 1.18 (180deg=1.04) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00825 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0929) USER MOD Single : A 90 TYR OH : rot 180:sc= 0.925 USER MOD Single : A 92 GLN : amide:sc= -1.5! K(o=-1.5!,f=-0.037) USER MOD Single : A 96 HIS : no HD1:sc= -0.83 K(o=-0.83,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.0561 X(o=-0.056,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.433 19.430 -15.417 1.00 0.00 N ATOM 2 CA MET A 1 -3.819 18.000 -15.425 1.00 0.00 C ATOM 3 C MET A 1 -4.979 17.769 -16.381 1.00 0.00 C ATOM 4 O MET A 1 -6.044 18.370 -16.231 1.00 0.00 O ATOM 5 CB MET A 1 -4.206 17.524 -14.020 1.00 0.00 C ATOM 6 CG MET A 1 -3.039 17.436 -13.049 1.00 0.00 C ATOM 7 SD MET A 1 -2.298 19.038 -12.691 1.00 0.00 S ATOM 8 CE MET A 1 -1.034 18.573 -11.512 1.00 0.00 C ATOM 0 H1 MET A 1 -2.856 19.629 -14.575 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.883 19.646 -16.273 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.289 20.021 -15.397 1.00 0.00 H new ATOM 0 HA MET A 1 -2.956 17.425 -15.760 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.954 18.204 -13.611 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.675 16.543 -14.097 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.382 16.984 -12.118 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.278 16.774 -13.463 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.487 19.461 -11.196 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.500 18.105 -10.645 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.344 17.869 -11.977 1.00 0.00 H new ATOM 20 N MET A 2 -4.762 16.899 -17.357 1.00 0.00 N ATOM 21 CA MET A 2 -5.777 16.563 -18.347 1.00 0.00 C ATOM 22 C MET A 2 -5.272 15.427 -19.223 1.00 0.00 C ATOM 23 O MET A 2 -6.023 14.527 -19.596 1.00 0.00 O ATOM 24 CB MET A 2 -6.117 17.784 -19.209 1.00 0.00 C ATOM 25 CG MET A 2 -7.246 17.542 -20.200 1.00 0.00 C ATOM 26 SD MET A 2 -7.684 19.024 -21.128 1.00 0.00 S ATOM 27 CE MET A 2 -8.993 18.392 -22.175 1.00 0.00 C ATOM 0 H MET A 2 -3.878 16.406 -17.485 1.00 0.00 H new ATOM 0 HA MET A 2 -6.684 16.248 -17.831 1.00 0.00 H new ATOM 0 HB2 MET A 2 -6.391 18.613 -18.556 1.00 0.00 H new ATOM 0 HB3 MET A 2 -5.225 18.090 -19.756 1.00 0.00 H new ATOM 0 HG2 MET A 2 -6.952 16.756 -20.896 1.00 0.00 H new ATOM 0 HG3 MET A 2 -8.124 17.181 -19.664 1.00 0.00 H new ATOM 0 HE1 MET A 2 -9.369 19.193 -22.811 1.00 0.00 H new ATOM 0 HE2 MET A 2 -8.604 17.587 -22.798 1.00 0.00 H new ATOM 0 HE3 MET A 2 -9.804 18.011 -21.554 1.00 0.00 H new ATOM 37 N PHE A 3 -3.985 15.473 -19.525 1.00 0.00 N ATOM 38 CA PHE A 3 -3.346 14.464 -20.349 1.00 0.00 C ATOM 39 C PHE A 3 -2.398 13.623 -19.507 1.00 0.00 C ATOM 40 O PHE A 3 -1.393 14.128 -19.009 1.00 0.00 O ATOM 41 CB PHE A 3 -2.557 15.115 -21.489 1.00 0.00 C ATOM 42 CG PHE A 3 -3.357 16.074 -22.326 1.00 0.00 C ATOM 43 CD1 PHE A 3 -4.069 15.627 -23.425 1.00 0.00 C ATOM 44 CD2 PHE A 3 -3.390 17.424 -22.015 1.00 0.00 C ATOM 45 CE1 PHE A 3 -4.799 16.506 -24.200 1.00 0.00 C ATOM 46 CE2 PHE A 3 -4.119 18.308 -22.785 1.00 0.00 C ATOM 47 CZ PHE A 3 -4.825 17.848 -23.879 1.00 0.00 C ATOM 0 H PHE A 3 -3.356 16.210 -19.206 1.00 0.00 H new ATOM 0 HA PHE A 3 -4.126 13.830 -20.770 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -1.702 15.644 -21.068 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -2.160 14.331 -22.134 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -4.054 14.578 -23.680 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -2.839 17.789 -21.161 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -5.349 16.144 -25.056 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.137 19.358 -22.532 1.00 0.00 H new ATOM 0 HZ PHE A 3 -5.397 18.537 -24.483 1.00 0.00 H new ATOM 57 N LEU A 4 -2.710 12.344 -19.352 1.00 0.00 N ATOM 58 CA LEU A 4 -1.828 11.435 -18.625 1.00 0.00 C ATOM 59 C LEU A 4 -0.667 11.002 -19.517 1.00 0.00 C ATOM 60 O LEU A 4 0.175 10.194 -19.125 1.00 0.00 O ATOM 61 CB LEU A 4 -2.591 10.203 -18.105 1.00 0.00 C ATOM 62 CG LEU A 4 -3.141 9.242 -19.168 1.00 0.00 C ATOM 63 CD1 LEU A 4 -3.501 7.909 -18.531 1.00 0.00 C ATOM 64 CD2 LEU A 4 -4.362 9.829 -19.858 1.00 0.00 C ATOM 0 H LEU A 4 -3.560 11.913 -19.716 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.434 11.971 -17.761 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.926 9.642 -17.448 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.424 10.550 -17.494 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.365 9.088 -19.917 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.890 7.235 -19.294 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.612 7.470 -18.078 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.259 8.065 -17.764 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.730 9.127 -20.606 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.142 10.016 -19.120 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.090 10.766 -20.343 1.00 0.00 H new ATOM 76 N ARG A 5 -0.636 11.557 -20.720 1.00 0.00 N ATOM 77 CA ARG A 5 0.418 11.271 -21.675 1.00 0.00 C ATOM 78 C ARG A 5 1.640 12.146 -21.400 1.00 0.00 C ATOM 79 O ARG A 5 2.774 11.750 -21.674 1.00 0.00 O ATOM 80 CB ARG A 5 -0.099 11.501 -23.100 1.00 0.00 C ATOM 81 CG ARG A 5 0.880 11.098 -24.192 1.00 0.00 C ATOM 82 CD ARG A 5 0.309 11.380 -25.574 1.00 0.00 C ATOM 83 NE ARG A 5 1.198 10.931 -26.647 1.00 0.00 N ATOM 84 CZ ARG A 5 1.032 11.245 -27.933 1.00 0.00 C ATOM 85 NH1 ARG A 5 0.029 12.034 -28.304 1.00 0.00 N ATOM 86 NH2 ARG A 5 1.877 10.781 -28.846 1.00 0.00 N ATOM 0 H ARG A 5 -1.338 12.215 -21.058 1.00 0.00 H new ATOM 0 HA ARG A 5 0.717 10.228 -21.572 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -1.025 10.941 -23.233 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.345 12.556 -23.219 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.816 11.642 -24.064 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.113 10.037 -24.102 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.656 10.883 -25.674 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.129 12.450 -25.679 1.00 0.00 H new ATOM 0 HE ARG A 5 1.992 10.342 -26.396 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.616 12.401 -27.605 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -0.095 12.272 -29.288 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.654 10.184 -28.565 1.00 0.00 H new ATOM 0 HH22 ARG A 5 1.749 11.022 -29.829 1.00 0.00 H new ATOM 100 N LYS A 6 1.405 13.331 -20.840 1.00 0.00 N ATOM 101 CA LYS A 6 2.485 14.271 -20.572 1.00 0.00 C ATOM 102 C LYS A 6 2.084 15.299 -19.516 1.00 0.00 C ATOM 103 O LYS A 6 1.193 16.121 -19.739 1.00 0.00 O ATOM 104 CB LYS A 6 2.898 14.989 -21.858 1.00 0.00 C ATOM 105 CG LYS A 6 4.010 16.006 -21.651 1.00 0.00 C ATOM 106 CD LYS A 6 4.456 16.632 -22.960 1.00 0.00 C ATOM 107 CE LYS A 6 5.095 15.606 -23.883 1.00 0.00 C ATOM 108 NZ LYS A 6 6.275 14.951 -23.257 1.00 0.00 N ATOM 0 H LYS A 6 0.479 13.660 -20.565 1.00 0.00 H new ATOM 0 HA LYS A 6 3.330 13.699 -20.188 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.223 14.250 -22.590 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.028 15.493 -22.279 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.666 16.788 -20.974 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.861 15.521 -21.172 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.599 17.086 -23.458 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.167 17.433 -22.757 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.358 14.848 -24.148 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.400 16.092 -24.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.827 14.458 -23.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.871 15.671 -22.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.954 14.265 -22.544 1.00 0.00 H new ATOM 122 N VAL A 7 2.742 15.232 -18.367 1.00 0.00 N ATOM 123 CA VAL A 7 2.579 16.227 -17.316 1.00 0.00 C ATOM 124 C VAL A 7 3.955 16.787 -16.958 1.00 0.00 C ATOM 125 O VAL A 7 4.962 16.101 -17.129 1.00 0.00 O ATOM 126 CB VAL A 7 1.895 15.631 -16.060 1.00 0.00 C ATOM 127 CG1 VAL A 7 1.545 16.723 -15.056 1.00 0.00 C ATOM 128 CG2 VAL A 7 0.647 14.844 -16.445 1.00 0.00 C ATOM 0 H VAL A 7 3.402 14.489 -18.137 1.00 0.00 H new ATOM 0 HA VAL A 7 1.931 17.023 -17.683 1.00 0.00 H new ATOM 0 HB VAL A 7 2.602 14.949 -15.588 1.00 0.00 H new ATOM 0 HG11 VAL A 7 1.066 16.276 -14.185 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.455 17.238 -14.746 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.863 17.437 -15.518 1.00 0.00 H new ATOM 0 HG21 VAL A 7 0.184 14.435 -15.547 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.059 15.505 -16.949 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.923 14.029 -17.114 1.00 0.00 H new ATOM 138 N GLU A 8 4.005 18.029 -16.486 1.00 0.00 N ATOM 139 CA GLU A 8 5.278 18.690 -16.214 1.00 0.00 C ATOM 140 C GLU A 8 6.039 18.014 -15.080 1.00 0.00 C ATOM 141 O GLU A 8 7.250 17.814 -15.173 1.00 0.00 O ATOM 142 CB GLU A 8 5.065 20.170 -15.898 1.00 0.00 C ATOM 143 CG GLU A 8 4.554 20.977 -17.079 1.00 0.00 C ATOM 144 CD GLU A 8 4.562 22.465 -16.803 1.00 0.00 C ATOM 145 OE1 GLU A 8 5.626 23.098 -16.965 1.00 0.00 O ATOM 146 OE2 GLU A 8 3.505 23.009 -16.424 1.00 0.00 O ATOM 0 H GLU A 8 3.182 18.597 -16.284 1.00 0.00 H new ATOM 0 HA GLU A 8 5.883 18.605 -17.117 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.357 20.259 -15.074 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.007 20.599 -15.556 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.171 20.768 -17.953 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.540 20.660 -17.322 1.00 0.00 H new ATOM 153 N GLY A 9 5.346 17.670 -14.009 1.00 0.00 N ATOM 154 CA GLY A 9 6.007 16.990 -12.912 1.00 0.00 C ATOM 155 C GLY A 9 5.096 16.060 -12.124 1.00 0.00 C ATOM 156 O GLY A 9 4.905 16.264 -10.924 1.00 0.00 O ATOM 0 H GLY A 9 4.350 17.845 -13.877 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.844 16.414 -13.306 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.424 17.735 -12.234 1.00 0.00 H new ATOM 160 N PRO A 10 4.505 15.034 -12.763 1.00 0.00 N ATOM 161 CA PRO A 10 3.719 14.016 -12.054 1.00 0.00 C ATOM 162 C PRO A 10 4.586 13.132 -11.167 1.00 0.00 C ATOM 163 O PRO A 10 5.565 12.548 -11.634 1.00 0.00 O ATOM 164 CB PRO A 10 3.126 13.160 -13.176 1.00 0.00 C ATOM 165 CG PRO A 10 4.025 13.380 -14.341 1.00 0.00 C ATOM 166 CD PRO A 10 4.515 14.793 -14.219 1.00 0.00 C ATOM 0 HA PRO A 10 2.979 14.477 -11.400 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.094 12.107 -12.895 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.103 13.460 -13.404 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.857 12.676 -14.331 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.492 13.231 -15.280 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.514 14.909 -14.639 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.865 15.491 -14.746 1.00 0.00 H new ATOM 174 N ARG A 11 4.240 13.035 -9.894 1.00 0.00 N ATOM 175 CA ARG A 11 4.868 12.051 -9.039 1.00 0.00 C ATOM 176 C ARG A 11 4.163 10.720 -9.214 1.00 0.00 C ATOM 177 O ARG A 11 3.205 10.395 -8.510 1.00 0.00 O ATOM 178 CB ARG A 11 4.878 12.468 -7.566 1.00 0.00 C ATOM 179 CG ARG A 11 5.305 11.341 -6.638 1.00 0.00 C ATOM 180 CD ARG A 11 6.082 11.852 -5.445 1.00 0.00 C ATOM 181 NE ARG A 11 6.287 10.802 -4.444 1.00 0.00 N ATOM 182 CZ ARG A 11 7.125 10.900 -3.411 1.00 0.00 C ATOM 183 NH1 ARG A 11 7.893 11.970 -3.268 1.00 0.00 N ATOM 184 NH2 ARG A 11 7.209 9.909 -2.532 1.00 0.00 N ATOM 0 H ARG A 11 3.538 13.618 -9.438 1.00 0.00 H new ATOM 0 HA ARG A 11 5.912 11.964 -9.338 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.553 13.314 -7.437 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.882 12.808 -7.283 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.423 10.802 -6.292 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.917 10.628 -7.191 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.048 12.234 -5.776 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.547 12.687 -4.993 1.00 0.00 H new ATOM 0 HE ARG A 11 5.753 9.939 -4.544 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.846 12.726 -3.951 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.531 12.037 -2.475 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.633 9.075 -2.647 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.849 9.982 -1.741 1.00 0.00 H new ATOM 198 N SER A 12 4.605 9.992 -10.210 1.00 0.00 N ATOM 199 CA SER A 12 4.097 8.661 -10.468 1.00 0.00 C ATOM 200 C SER A 12 5.208 7.651 -10.253 1.00 0.00 C ATOM 201 O SER A 12 6.322 7.817 -10.753 1.00 0.00 O ATOM 202 CB SER A 12 3.552 8.551 -11.892 1.00 0.00 C ATOM 203 OG SER A 12 2.862 7.326 -12.087 1.00 0.00 O ATOM 0 H SER A 12 5.324 10.301 -10.864 1.00 0.00 H new ATOM 0 HA SER A 12 3.278 8.456 -9.779 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.880 9.385 -12.092 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.373 8.626 -12.605 1.00 0.00 H new ATOM 0 HG SER A 12 2.623 6.943 -11.217 1.00 0.00 H new ATOM 209 N VAL A 13 4.907 6.615 -9.505 1.00 0.00 N ATOM 210 CA VAL A 13 5.900 5.614 -9.172 1.00 0.00 C ATOM 211 C VAL A 13 5.792 4.415 -10.098 1.00 0.00 C ATOM 212 O VAL A 13 4.722 3.821 -10.265 1.00 0.00 O ATOM 213 CB VAL A 13 5.809 5.167 -7.697 1.00 0.00 C ATOM 214 CG1 VAL A 13 6.261 6.293 -6.778 1.00 0.00 C ATOM 215 CG2 VAL A 13 4.398 4.721 -7.337 1.00 0.00 C ATOM 0 H VAL A 13 3.981 6.441 -9.114 1.00 0.00 H new ATOM 0 HA VAL A 13 6.876 6.079 -9.311 1.00 0.00 H new ATOM 0 HB VAL A 13 6.472 4.312 -7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.192 5.966 -5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.293 6.558 -7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.622 7.163 -6.927 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.369 4.413 -6.292 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.705 5.548 -7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.109 3.882 -7.970 1.00 0.00 H new ATOM 225 N THR A 14 6.906 4.089 -10.722 1.00 0.00 N ATOM 226 CA THR A 14 6.976 2.962 -11.621 1.00 0.00 C ATOM 227 C THR A 14 7.290 1.697 -10.833 1.00 0.00 C ATOM 228 O THR A 14 8.419 1.497 -10.379 1.00 0.00 O ATOM 229 CB THR A 14 8.045 3.198 -12.699 1.00 0.00 C ATOM 230 OG1 THR A 14 7.905 4.530 -13.213 1.00 0.00 O ATOM 231 CG2 THR A 14 7.904 2.195 -13.834 1.00 0.00 C ATOM 0 H THR A 14 7.784 4.598 -10.619 1.00 0.00 H new ATOM 0 HA THR A 14 6.012 2.845 -12.116 1.00 0.00 H new ATOM 0 HB THR A 14 9.030 3.069 -12.251 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.585 4.689 -13.900 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.672 2.384 -14.584 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.019 1.184 -13.443 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.919 2.297 -14.290 1.00 0.00 H new ATOM 239 N LEU A 15 6.271 0.874 -10.644 1.00 0.00 N ATOM 240 CA LEU A 15 6.401 -0.354 -9.875 1.00 0.00 C ATOM 241 C LEU A 15 7.326 -1.335 -10.579 1.00 0.00 C ATOM 242 O LEU A 15 7.457 -1.297 -11.805 1.00 0.00 O ATOM 243 CB LEU A 15 5.023 -1.003 -9.693 1.00 0.00 C ATOM 244 CG LEU A 15 3.963 -0.118 -9.033 1.00 0.00 C ATOM 245 CD1 LEU A 15 2.607 -0.803 -9.061 1.00 0.00 C ATOM 246 CD2 LEU A 15 4.360 0.216 -7.604 1.00 0.00 C ATOM 0 H LEU A 15 5.336 1.037 -11.017 1.00 0.00 H new ATOM 0 HA LEU A 15 6.824 -0.104 -8.902 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.655 -1.314 -10.671 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.142 -1.906 -9.095 1.00 0.00 H new ATOM 0 HG LEU A 15 3.893 0.812 -9.597 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.865 -0.160 -8.588 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.317 -0.993 -10.094 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.666 -1.748 -8.521 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.594 0.846 -7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.459 -0.705 -7.029 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.312 0.747 -7.605 1.00 0.00 H new ATOM 258 N PRO A 16 7.974 -2.239 -9.816 1.00 0.00 N ATOM 259 CA PRO A 16 8.764 -3.350 -10.375 1.00 0.00 C ATOM 260 C PRO A 16 7.859 -4.387 -11.048 1.00 0.00 C ATOM 261 O PRO A 16 8.052 -5.598 -10.919 1.00 0.00 O ATOM 262 CB PRO A 16 9.457 -3.959 -9.147 1.00 0.00 C ATOM 263 CG PRO A 16 9.291 -2.959 -8.052 1.00 0.00 C ATOM 264 CD PRO A 16 8.009 -2.239 -8.346 1.00 0.00 C ATOM 0 HA PRO A 16 9.464 -3.019 -11.142 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.006 -4.914 -8.877 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.511 -4.149 -9.347 1.00 0.00 H new ATOM 0 HG2 PRO A 16 9.250 -3.448 -7.079 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.132 -2.266 -8.025 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.148 -2.753 -7.920 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.009 -1.227 -7.940 1.00 0.00 H new ATOM 272 N ASP A 17 6.880 -3.881 -11.774 1.00 0.00 N ATOM 273 CA ASP A 17 5.876 -4.692 -12.432 1.00 0.00 C ATOM 274 C ASP A 17 5.656 -4.191 -13.853 1.00 0.00 C ATOM 275 O ASP A 17 5.587 -4.970 -14.800 1.00 0.00 O ATOM 276 CB ASP A 17 4.565 -4.628 -11.645 1.00 0.00 C ATOM 277 CG ASP A 17 3.434 -5.358 -12.331 1.00 0.00 C ATOM 278 OD1 ASP A 17 3.398 -6.604 -12.249 1.00 0.00 O ATOM 279 OD2 ASP A 17 2.573 -4.687 -12.940 1.00 0.00 O ATOM 0 H ASP A 17 6.759 -2.879 -11.925 1.00 0.00 H new ATOM 0 HA ASP A 17 6.218 -5.726 -12.471 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.720 -5.056 -10.655 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.284 -3.585 -11.501 1.00 0.00 H new ATOM 284 N GLY A 18 5.578 -2.875 -13.987 1.00 0.00 N ATOM 285 CA GLY A 18 5.315 -2.264 -15.273 1.00 0.00 C ATOM 286 C GLY A 18 4.208 -1.244 -15.170 1.00 0.00 C ATOM 287 O GLY A 18 4.136 -0.299 -15.955 1.00 0.00 O ATOM 0 H GLY A 18 5.694 -2.214 -13.219 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.221 -1.786 -15.645 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.040 -3.033 -15.996 1.00 0.00 H new ATOM 291 N SER A 19 3.345 -1.441 -14.186 1.00 0.00 N ATOM 292 CA SER A 19 2.263 -0.519 -13.914 1.00 0.00 C ATOM 293 C SER A 19 2.772 0.678 -13.109 1.00 0.00 C ATOM 294 O SER A 19 3.741 0.567 -12.353 1.00 0.00 O ATOM 295 CB SER A 19 1.148 -1.255 -13.166 1.00 0.00 C ATOM 296 OG SER A 19 1.687 -2.180 -12.230 1.00 0.00 O ATOM 0 H SER A 19 3.378 -2.243 -13.557 1.00 0.00 H new ATOM 0 HA SER A 19 1.863 -0.138 -14.854 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.516 -0.534 -12.648 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.513 -1.781 -13.879 1.00 0.00 H new ATOM 0 HG SER A 19 1.863 -3.034 -12.678 1.00 0.00 H new ATOM 302 N ILE A 20 2.134 1.824 -13.292 1.00 0.00 N ATOM 303 CA ILE A 20 2.529 3.038 -12.590 1.00 0.00 C ATOM 304 C ILE A 20 1.409 3.511 -11.670 1.00 0.00 C ATOM 305 O ILE A 20 0.231 3.435 -12.017 1.00 0.00 O ATOM 306 CB ILE A 20 2.907 4.172 -13.569 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.775 4.416 -14.574 1.00 0.00 C ATOM 308 CG2 ILE A 20 4.206 3.840 -14.290 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.035 5.574 -15.518 1.00 0.00 C ATOM 0 H ILE A 20 1.340 1.940 -13.921 1.00 0.00 H new ATOM 0 HA ILE A 20 3.410 2.794 -11.997 1.00 0.00 H new ATOM 0 HB ILE A 20 3.057 5.088 -12.997 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.620 3.510 -15.159 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.851 4.605 -14.028 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.458 4.649 -14.976 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.007 3.720 -13.560 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.084 2.913 -14.851 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.191 5.685 -16.199 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.160 6.491 -14.943 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.941 5.379 -16.092 1.00 0.00 H new ATOM 321 N MET A 21 1.782 3.982 -10.491 1.00 0.00 N ATOM 322 CA MET A 21 0.806 4.450 -9.514 1.00 0.00 C ATOM 323 C MET A 21 1.109 5.875 -9.084 1.00 0.00 C ATOM 324 O MET A 21 2.261 6.300 -9.079 1.00 0.00 O ATOM 325 CB MET A 21 0.778 3.531 -8.291 1.00 0.00 C ATOM 326 CG MET A 21 -0.049 2.272 -8.493 1.00 0.00 C ATOM 327 SD MET A 21 -1.793 2.629 -8.786 1.00 0.00 S ATOM 328 CE MET A 21 -2.222 3.509 -7.284 1.00 0.00 C ATOM 0 H MET A 21 2.753 4.051 -10.185 1.00 0.00 H new ATOM 0 HA MET A 21 -0.175 4.431 -9.989 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.799 3.248 -8.037 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.380 4.084 -7.441 1.00 0.00 H new ATOM 0 HG2 MET A 21 0.350 1.711 -9.338 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.045 1.635 -7.614 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.288 3.395 -7.088 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.654 3.101 -6.448 1.00 0.00 H new ATOM 0 HE3 MET A 21 -1.986 4.567 -7.402 1.00 0.00 H new ATOM 338 N THR A 22 0.074 6.610 -8.720 1.00 0.00 N ATOM 339 CA THR A 22 0.229 7.984 -8.288 1.00 0.00 C ATOM 340 C THR A 22 -0.966 8.402 -7.438 1.00 0.00 C ATOM 341 O THR A 22 -1.895 7.614 -7.235 1.00 0.00 O ATOM 342 CB THR A 22 0.387 8.935 -9.500 1.00 0.00 C ATOM 343 OG1 THR A 22 0.571 10.288 -9.066 1.00 0.00 O ATOM 344 CG2 THR A 22 -0.821 8.850 -10.427 1.00 0.00 C ATOM 0 H THR A 22 -0.889 6.274 -8.716 1.00 0.00 H new ATOM 0 HA THR A 22 1.135 8.053 -7.686 1.00 0.00 H new ATOM 0 HB THR A 22 1.272 8.618 -10.052 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.494 10.410 -8.759 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.682 9.528 -11.269 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.925 7.830 -10.796 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.720 9.131 -9.879 1.00 0.00 H new ATOM 352 N ARG A 23 -0.946 9.639 -6.963 1.00 0.00 N ATOM 353 CA ARG A 23 -1.985 10.147 -6.076 1.00 0.00 C ATOM 354 C ARG A 23 -3.323 10.219 -6.806 1.00 0.00 C ATOM 355 O ARG A 23 -4.386 10.138 -6.192 1.00 0.00 O ATOM 356 CB ARG A 23 -1.603 11.535 -5.556 1.00 0.00 C ATOM 357 CG ARG A 23 -2.439 11.985 -4.370 1.00 0.00 C ATOM 358 CD ARG A 23 -2.250 13.461 -4.062 1.00 0.00 C ATOM 359 NE ARG A 23 -0.844 13.831 -3.897 1.00 0.00 N ATOM 360 CZ ARG A 23 -0.330 14.327 -2.770 1.00 0.00 C ATOM 361 NH1 ARG A 23 -1.073 14.424 -1.675 1.00 0.00 N ATOM 362 NH2 ARG A 23 0.939 14.710 -2.735 1.00 0.00 N ATOM 0 H ARG A 23 -0.214 10.316 -7.179 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.082 9.464 -5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.551 11.531 -5.269 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.711 12.260 -6.363 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.492 11.790 -4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.170 11.395 -3.494 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.685 14.054 -4.867 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.796 13.710 -3.152 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.218 13.702 -4.692 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.046 14.118 -1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.671 14.804 -0.818 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.520 14.625 -3.569 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.334 15.089 -1.874 1.00 0.00 H new ATOM 376 N ALA A 24 -3.260 10.346 -8.126 1.00 0.00 N ATOM 377 CA ALA A 24 -4.457 10.462 -8.950 1.00 0.00 C ATOM 378 C ALA A 24 -5.237 9.149 -8.996 1.00 0.00 C ATOM 379 O ALA A 24 -6.416 9.131 -9.352 1.00 0.00 O ATOM 380 CB ALA A 24 -4.083 10.905 -10.355 1.00 0.00 C ATOM 0 H ALA A 24 -2.386 10.371 -8.652 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.104 11.214 -8.498 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.984 10.988 -10.962 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.584 11.873 -10.311 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.412 10.171 -10.801 1.00 0.00 H new ATOM 386 N ASP A 25 -4.577 8.053 -8.639 1.00 0.00 N ATOM 387 CA ASP A 25 -5.217 6.742 -8.643 1.00 0.00 C ATOM 388 C ASP A 25 -5.589 6.308 -7.234 1.00 0.00 C ATOM 389 O ASP A 25 -6.338 5.351 -7.050 1.00 0.00 O ATOM 390 CB ASP A 25 -4.305 5.685 -9.274 1.00 0.00 C ATOM 391 CG ASP A 25 -4.259 5.784 -10.782 1.00 0.00 C ATOM 392 OD1 ASP A 25 -5.091 5.130 -11.448 1.00 0.00 O ATOM 393 OD2 ASP A 25 -3.392 6.510 -11.308 1.00 0.00 O ATOM 0 H ASP A 25 -3.601 8.046 -8.344 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.126 6.830 -9.239 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.297 5.795 -8.875 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.654 4.692 -8.989 1.00 0.00 H new ATOM 398 N LEU A 26 -5.066 7.020 -6.245 1.00 0.00 N ATOM 399 CA LEU A 26 -5.295 6.672 -4.852 1.00 0.00 C ATOM 400 C LEU A 26 -6.740 6.936 -4.450 1.00 0.00 C ATOM 401 O LEU A 26 -7.239 8.053 -4.600 1.00 0.00 O ATOM 402 CB LEU A 26 -4.359 7.460 -3.937 1.00 0.00 C ATOM 403 CG LEU A 26 -2.874 7.137 -4.092 1.00 0.00 C ATOM 404 CD1 LEU A 26 -2.043 7.987 -3.145 1.00 0.00 C ATOM 405 CD2 LEU A 26 -2.625 5.659 -3.837 1.00 0.00 C ATOM 0 H LEU A 26 -4.480 7.843 -6.383 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.090 5.607 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.505 8.524 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.648 7.276 -2.902 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.574 7.368 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.988 7.744 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.201 9.042 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.343 7.786 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.563 5.444 -3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.940 5.406 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.194 5.065 -4.552 1.00 0.00 H new ATOM 417 N PRO A 27 -7.436 5.895 -3.970 1.00 0.00 N ATOM 418 CA PRO A 27 -8.781 6.033 -3.412 1.00 0.00 C ATOM 419 C PRO A 27 -8.811 7.025 -2.252 1.00 0.00 C ATOM 420 O PRO A 27 -8.152 6.812 -1.235 1.00 0.00 O ATOM 421 CB PRO A 27 -9.103 4.621 -2.907 1.00 0.00 C ATOM 422 CG PRO A 27 -8.238 3.721 -3.712 1.00 0.00 C ATOM 423 CD PRO A 27 -6.974 4.494 -3.954 1.00 0.00 C ATOM 0 HA PRO A 27 -9.495 6.411 -4.144 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.891 4.524 -1.842 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.158 4.383 -3.045 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.034 2.792 -3.179 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.719 3.451 -4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.239 4.321 -3.168 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.504 4.214 -4.897 1.00 0.00 H new ATOM 431 N PRO A 28 -9.579 8.117 -2.387 1.00 0.00 N ATOM 432 CA PRO A 28 -9.673 9.163 -1.358 1.00 0.00 C ATOM 433 C PRO A 28 -10.522 8.726 -0.167 1.00 0.00 C ATOM 434 O PRO A 28 -11.438 9.442 0.243 1.00 0.00 O ATOM 435 CB PRO A 28 -10.355 10.314 -2.097 1.00 0.00 C ATOM 436 CG PRO A 28 -11.174 9.656 -3.152 1.00 0.00 C ATOM 437 CD PRO A 28 -10.417 8.422 -3.563 1.00 0.00 C ATOM 0 HA PRO A 28 -8.699 9.417 -0.940 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.977 10.903 -1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.623 10.994 -2.532 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.163 9.398 -2.773 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.323 10.322 -4.002 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.091 7.599 -3.798 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.811 8.601 -4.451 1.00 0.00 H new ATOM 445 N ALA A 29 -10.200 7.548 0.371 1.00 0.00 N ATOM 446 CA ALA A 29 -10.939 6.927 1.474 1.00 0.00 C ATOM 447 C ALA A 29 -12.317 6.451 1.012 1.00 0.00 C ATOM 448 O ALA A 29 -12.650 5.272 1.130 1.00 0.00 O ATOM 449 CB ALA A 29 -11.061 7.867 2.670 1.00 0.00 C ATOM 0 H ALA A 29 -9.409 6.991 0.049 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.369 6.056 1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.615 7.371 3.467 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.066 8.130 3.029 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.589 8.772 2.369 1.00 0.00 H new ATOM 455 N ASN A 30 -13.099 7.365 0.462 1.00 0.00 N ATOM 456 CA ASN A 30 -14.447 7.062 -0.009 1.00 0.00 C ATOM 457 C ASN A 30 -14.476 6.976 -1.532 1.00 0.00 C ATOM 458 O ASN A 30 -15.276 7.638 -2.196 1.00 0.00 O ATOM 459 CB ASN A 30 -15.436 8.126 0.482 1.00 0.00 C ATOM 460 CG ASN A 30 -14.968 9.540 0.195 1.00 0.00 C ATOM 461 OD1 ASN A 30 -15.246 10.102 -0.864 1.00 0.00 O ATOM 462 ND2 ASN A 30 -14.266 10.134 1.147 1.00 0.00 N ATOM 0 H ASN A 30 -12.821 8.337 0.328 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.744 6.095 0.398 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -16.403 7.964 0.005 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.586 8.009 1.555 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.936 11.090 1.016 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.055 9.636 2.012 1.00 0.00 H new ATOM 469 N THR A 31 -13.604 6.142 -2.078 1.00 0.00 N ATOM 470 CA THR A 31 -13.523 5.962 -3.521 1.00 0.00 C ATOM 471 C THR A 31 -14.769 5.250 -4.048 1.00 0.00 C ATOM 472 O THR A 31 -15.540 4.661 -3.283 1.00 0.00 O ATOM 473 CB THR A 31 -12.266 5.165 -3.927 1.00 0.00 C ATOM 474 OG1 THR A 31 -12.061 5.255 -5.346 1.00 0.00 O ATOM 475 CG2 THR A 31 -12.389 3.701 -3.528 1.00 0.00 C ATOM 0 H THR A 31 -12.942 5.579 -1.544 1.00 0.00 H new ATOM 0 HA THR A 31 -13.458 6.956 -3.964 1.00 0.00 H new ATOM 0 HB THR A 31 -11.414 5.598 -3.403 1.00 0.00 H new ATOM 0 HG1 THR A 31 -11.182 4.887 -5.574 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.488 3.165 -3.827 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.513 3.628 -2.448 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.254 3.260 -4.023 1.00 0.00 H new ATOM 483 N ARG A 32 -14.951 5.305 -5.357 1.00 0.00 N ATOM 484 CA ARG A 32 -16.094 4.683 -6.000 1.00 0.00 C ATOM 485 C ARG A 32 -15.746 3.268 -6.456 1.00 0.00 C ATOM 486 O ARG A 32 -14.768 3.065 -7.178 1.00 0.00 O ATOM 487 CB ARG A 32 -16.562 5.533 -7.188 1.00 0.00 C ATOM 488 CG ARG A 32 -15.447 5.907 -8.152 1.00 0.00 C ATOM 489 CD ARG A 32 -15.953 6.757 -9.308 1.00 0.00 C ATOM 490 NE ARG A 32 -16.554 8.013 -8.855 1.00 0.00 N ATOM 491 CZ ARG A 32 -16.000 9.210 -9.026 1.00 0.00 C ATOM 492 NH1 ARG A 32 -14.805 9.323 -9.599 1.00 0.00 N ATOM 493 NH2 ARG A 32 -16.641 10.294 -8.613 1.00 0.00 N ATOM 0 H ARG A 32 -14.315 5.779 -5.999 1.00 0.00 H new ATOM 0 HA ARG A 32 -16.908 4.619 -5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -17.332 4.987 -7.732 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -17.024 6.445 -6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -14.671 6.452 -7.614 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.987 5.000 -8.544 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -15.126 6.976 -9.984 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -16.689 6.190 -9.878 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.454 7.967 -8.378 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.308 8.489 -9.910 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.386 10.244 -9.727 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -17.554 10.208 -8.167 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -16.221 11.215 -8.741 1.00 0.00 H new ATOM 507 N ARG A 33 -16.543 2.301 -5.998 1.00 0.00 N ATOM 508 CA ARG A 33 -16.396 0.897 -6.391 1.00 0.00 C ATOM 509 C ARG A 33 -15.043 0.317 -5.976 1.00 0.00 C ATOM 510 O ARG A 33 -14.076 0.339 -6.745 1.00 0.00 O ATOM 511 CB ARG A 33 -16.594 0.736 -7.903 1.00 0.00 C ATOM 512 CG ARG A 33 -17.998 1.078 -8.393 1.00 0.00 C ATOM 513 CD ARG A 33 -18.969 -0.085 -8.232 1.00 0.00 C ATOM 514 NE ARG A 33 -19.264 -0.399 -6.833 1.00 0.00 N ATOM 515 CZ ARG A 33 -20.099 -1.362 -6.449 1.00 0.00 C ATOM 516 NH1 ARG A 33 -20.702 -2.124 -7.355 1.00 0.00 N ATOM 517 NH2 ARG A 33 -20.325 -1.569 -5.160 1.00 0.00 N ATOM 0 H ARG A 33 -17.308 2.468 -5.345 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.169 0.338 -5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.876 1.372 -8.421 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.366 -0.293 -8.180 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -18.373 1.940 -7.841 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -17.953 1.367 -9.443 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -19.899 0.152 -8.749 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -18.552 -0.968 -8.716 1.00 0.00 H new ATOM 0 HE ARG A 33 -18.803 0.153 -6.110 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -20.526 -1.972 -8.348 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -21.341 -2.861 -7.057 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -19.859 -0.990 -4.461 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -20.965 -2.307 -4.867 1.00 0.00 H new ATOM 531 N TRP A 34 -14.970 -0.193 -4.754 1.00 0.00 N ATOM 532 CA TRP A 34 -13.774 -0.887 -4.293 1.00 0.00 C ATOM 533 C TRP A 34 -13.618 -2.210 -5.035 1.00 0.00 C ATOM 534 O TRP A 34 -14.510 -3.059 -5.001 1.00 0.00 O ATOM 535 CB TRP A 34 -13.831 -1.162 -2.788 1.00 0.00 C ATOM 536 CG TRP A 34 -13.615 0.045 -1.928 1.00 0.00 C ATOM 537 CD1 TRP A 34 -14.572 0.863 -1.404 1.00 0.00 C ATOM 538 CD2 TRP A 34 -12.356 0.560 -1.485 1.00 0.00 C ATOM 539 NE1 TRP A 34 -13.985 1.852 -0.654 1.00 0.00 N ATOM 540 CE2 TRP A 34 -12.626 1.690 -0.691 1.00 0.00 C ATOM 541 CE3 TRP A 34 -11.025 0.174 -1.680 1.00 0.00 C ATOM 542 CZ2 TRP A 34 -11.615 2.440 -0.097 1.00 0.00 C ATOM 543 CZ3 TRP A 34 -10.022 0.920 -1.090 1.00 0.00 C ATOM 544 CH2 TRP A 34 -10.322 2.041 -0.304 1.00 0.00 C ATOM 0 H TRP A 34 -15.721 -0.140 -4.066 1.00 0.00 H new ATOM 0 HA TRP A 34 -12.920 -0.241 -4.497 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -14.802 -1.595 -2.547 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -13.078 -1.909 -2.539 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -15.635 0.750 -1.556 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -14.481 2.588 -0.151 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -10.786 -0.691 -2.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -11.843 3.306 0.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.991 0.635 -1.237 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -9.517 2.601 0.148 1.00 0.00 H new ATOM 555 N VAL A 35 -12.501 -2.366 -5.726 1.00 0.00 N ATOM 556 CA VAL A 35 -12.182 -3.620 -6.388 1.00 0.00 C ATOM 557 C VAL A 35 -10.861 -4.152 -5.852 1.00 0.00 C ATOM 558 O VAL A 35 -10.075 -3.393 -5.278 1.00 0.00 O ATOM 559 CB VAL A 35 -12.114 -3.471 -7.927 1.00 0.00 C ATOM 560 CG1 VAL A 35 -13.485 -3.159 -8.498 1.00 0.00 C ATOM 561 CG2 VAL A 35 -11.119 -2.397 -8.331 1.00 0.00 C ATOM 0 H VAL A 35 -11.797 -1.637 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.984 -4.326 -6.172 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.774 -4.422 -8.337 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.414 -3.058 -9.581 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.174 -3.968 -8.253 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.854 -2.227 -8.070 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.093 -2.315 -9.418 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.421 -1.441 -7.902 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.128 -2.662 -7.963 1.00 0.00 H new ATOM 571 N ALA A 36 -10.623 -5.445 -6.034 1.00 0.00 N ATOM 572 CA ALA A 36 -9.432 -6.104 -5.502 1.00 0.00 C ATOM 573 C ALA A 36 -8.155 -5.393 -5.934 1.00 0.00 C ATOM 574 O ALA A 36 -7.268 -5.132 -5.117 1.00 0.00 O ATOM 575 CB ALA A 36 -9.401 -7.560 -5.935 1.00 0.00 C ATOM 0 H ALA A 36 -11.245 -6.066 -6.552 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.483 -6.056 -4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.509 -8.040 -5.533 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.288 -8.070 -5.560 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.383 -7.616 -7.023 1.00 0.00 H new ATOM 581 N SER A 37 -8.076 -5.061 -7.215 1.00 0.00 N ATOM 582 CA SER A 37 -6.909 -4.383 -7.760 1.00 0.00 C ATOM 583 C SER A 37 -6.788 -2.953 -7.230 1.00 0.00 C ATOM 584 O SER A 37 -5.688 -2.407 -7.164 1.00 0.00 O ATOM 585 CB SER A 37 -6.974 -4.386 -9.286 1.00 0.00 C ATOM 586 OG SER A 37 -6.993 -5.714 -9.783 1.00 0.00 O ATOM 0 H SER A 37 -8.809 -5.251 -7.898 1.00 0.00 H new ATOM 0 HA SER A 37 -6.020 -4.925 -7.437 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.866 -3.855 -9.618 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.115 -3.852 -9.693 1.00 0.00 H new ATOM 0 HG SER A 37 -7.036 -5.696 -10.762 1.00 0.00 H new ATOM 592 N ARG A 38 -7.907 -2.358 -6.825 1.00 0.00 N ATOM 593 CA ARG A 38 -7.888 -1.001 -6.291 1.00 0.00 C ATOM 594 C ARG A 38 -7.329 -1.018 -4.874 1.00 0.00 C ATOM 595 O ARG A 38 -6.594 -0.120 -4.479 1.00 0.00 O ATOM 596 CB ARG A 38 -9.287 -0.376 -6.296 1.00 0.00 C ATOM 597 CG ARG A 38 -9.273 1.130 -6.056 1.00 0.00 C ATOM 598 CD ARG A 38 -10.676 1.722 -5.943 1.00 0.00 C ATOM 599 NE ARG A 38 -11.514 1.457 -7.117 1.00 0.00 N ATOM 600 CZ ARG A 38 -11.341 2.023 -8.317 1.00 0.00 C ATOM 601 NH1 ARG A 38 -10.340 2.865 -8.539 1.00 0.00 N ATOM 602 NH2 ARG A 38 -12.184 1.751 -9.303 1.00 0.00 N ATOM 0 H ARG A 38 -8.830 -2.790 -6.856 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.250 -0.392 -6.931 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.766 -0.580 -7.254 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.894 -0.854 -5.528 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.719 1.343 -5.142 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.741 1.619 -6.872 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.164 1.315 -5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.598 2.799 -5.797 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.283 0.795 -7.011 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.687 3.090 -7.788 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.223 3.287 -9.460 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.963 1.111 -9.146 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.054 2.181 -10.219 1.00 0.00 H new ATOM 616 N LYS A 39 -7.686 -2.054 -4.121 1.00 0.00 N ATOM 617 CA LYS A 39 -7.151 -2.259 -2.776 1.00 0.00 C ATOM 618 C LYS A 39 -5.632 -2.392 -2.844 1.00 0.00 C ATOM 619 O LYS A 39 -4.889 -1.739 -2.103 1.00 0.00 O ATOM 620 CB LYS A 39 -7.763 -3.524 -2.168 1.00 0.00 C ATOM 621 CG LYS A 39 -9.285 -3.532 -2.199 1.00 0.00 C ATOM 622 CD LYS A 39 -9.854 -4.940 -2.055 1.00 0.00 C ATOM 623 CE LYS A 39 -9.788 -5.444 -0.625 1.00 0.00 C ATOM 624 NZ LYS A 39 -10.675 -4.662 0.271 1.00 0.00 N ATOM 0 H LYS A 39 -8.348 -2.770 -4.421 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.405 -1.404 -2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.391 -4.395 -2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.427 -3.622 -1.136 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.667 -2.903 -1.395 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.630 -3.096 -3.136 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.890 -4.947 -2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.302 -5.621 -2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.075 -6.495 -0.595 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.761 -5.384 -0.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.723 -5.124 1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.296 -3.700 0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.629 -4.613 -0.141 1.00 0.00 H new ATOM 638 N ILE A 40 -5.187 -3.231 -3.770 1.00 0.00 N ATOM 639 CA ILE A 40 -3.768 -3.434 -4.018 1.00 0.00 C ATOM 640 C ILE A 40 -3.103 -2.135 -4.473 1.00 0.00 C ATOM 641 O ILE A 40 -1.966 -1.838 -4.097 1.00 0.00 O ATOM 642 CB ILE A 40 -3.552 -4.536 -5.079 1.00 0.00 C ATOM 643 CG1 ILE A 40 -4.105 -5.867 -4.563 1.00 0.00 C ATOM 644 CG2 ILE A 40 -2.077 -4.665 -5.437 1.00 0.00 C ATOM 645 CD1 ILE A 40 -4.026 -6.992 -5.570 1.00 0.00 C ATOM 0 H ILE A 40 -5.798 -3.788 -4.368 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.308 -3.751 -3.082 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.089 -4.259 -5.986 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.556 -6.155 -3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.145 -5.728 -4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.951 -5.447 -6.186 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.716 -3.718 -5.838 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.507 -4.922 -4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.436 -7.902 -5.132 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.599 -6.726 -6.458 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.985 -7.160 -5.847 1.00 0.00 H new ATOM 657 N ALA A 41 -3.825 -1.356 -5.273 1.00 0.00 N ATOM 658 CA ALA A 41 -3.327 -0.072 -5.746 1.00 0.00 C ATOM 659 C ALA A 41 -3.069 0.877 -4.579 1.00 0.00 C ATOM 660 O ALA A 41 -2.115 1.655 -4.606 1.00 0.00 O ATOM 661 CB ALA A 41 -4.306 0.545 -6.733 1.00 0.00 C ATOM 0 H ALA A 41 -4.759 -1.594 -5.607 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.379 -0.241 -6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.920 1.504 -7.077 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.432 -0.122 -7.585 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.269 0.696 -6.244 1.00 0.00 H new ATOM 667 N VAL A 42 -3.910 0.797 -3.548 1.00 0.00 N ATOM 668 CA VAL A 42 -3.742 1.638 -2.367 1.00 0.00 C ATOM 669 C VAL A 42 -2.410 1.344 -1.689 1.00 0.00 C ATOM 670 O VAL A 42 -1.567 2.230 -1.559 1.00 0.00 O ATOM 671 CB VAL A 42 -4.875 1.446 -1.334 1.00 0.00 C ATOM 672 CG1 VAL A 42 -4.758 2.472 -0.216 1.00 0.00 C ATOM 673 CG2 VAL A 42 -6.236 1.541 -1.996 1.00 0.00 C ATOM 0 H VAL A 42 -4.708 0.163 -3.508 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.772 2.669 -2.718 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.774 0.449 -0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.564 2.321 0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.798 2.355 0.287 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.828 3.476 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.015 1.402 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.348 2.522 -2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.324 0.768 -2.759 1.00 0.00 H new ATOM 683 N VAL A 43 -2.206 0.090 -1.287 1.00 0.00 N ATOM 684 CA VAL A 43 -0.974 -0.295 -0.593 1.00 0.00 C ATOM 685 C VAL A 43 0.264 -0.079 -1.466 1.00 0.00 C ATOM 686 O VAL A 43 1.340 0.225 -0.958 1.00 0.00 O ATOM 687 CB VAL A 43 -1.003 -1.755 -0.093 1.00 0.00 C ATOM 688 CG1 VAL A 43 -1.572 -1.824 1.315 1.00 0.00 C ATOM 689 CG2 VAL A 43 -1.812 -2.638 -1.027 1.00 0.00 C ATOM 0 H VAL A 43 -2.870 -0.671 -1.427 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.913 0.359 0.277 1.00 0.00 H new ATOM 0 HB VAL A 43 0.023 -2.124 -0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.585 -2.861 1.652 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.952 -1.232 1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.588 -1.429 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.815 -3.661 -0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.836 -2.268 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.367 -2.620 -2.022 1.00 0.00 H new ATOM 699 N ARG A 44 0.108 -0.233 -2.775 1.00 0.00 N ATOM 700 CA ARG A 44 1.189 0.077 -3.709 1.00 0.00 C ATOM 701 C ARG A 44 1.500 1.567 -3.681 1.00 0.00 C ATOM 702 O ARG A 44 2.654 1.972 -3.526 1.00 0.00 O ATOM 703 CB ARG A 44 0.804 -0.330 -5.135 1.00 0.00 C ATOM 704 CG ARG A 44 1.521 -1.563 -5.671 1.00 0.00 C ATOM 705 CD ARG A 44 1.083 -2.841 -4.973 1.00 0.00 C ATOM 706 NE ARG A 44 1.884 -3.145 -3.789 1.00 0.00 N ATOM 707 CZ ARG A 44 2.606 -4.263 -3.659 1.00 0.00 C ATOM 708 NH1 ARG A 44 2.705 -5.112 -4.677 1.00 0.00 N ATOM 709 NH2 ARG A 44 3.251 -4.522 -2.529 1.00 0.00 N ATOM 0 H ARG A 44 -0.749 -0.568 -3.214 1.00 0.00 H new ATOM 0 HA ARG A 44 2.071 -0.485 -3.402 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.270 -0.511 -5.167 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.006 0.508 -5.802 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.331 -1.654 -6.740 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.597 -1.436 -5.548 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.036 -2.751 -4.684 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.149 -3.673 -5.674 1.00 0.00 H new ATOM 0 HE ARG A 44 1.893 -2.471 -3.024 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.230 -4.911 -5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.256 -5.965 -4.578 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.199 -3.866 -1.750 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.799 -5.377 -2.439 1.00 0.00 H new ATOM 723 N GLY A 45 0.452 2.373 -3.811 1.00 0.00 N ATOM 724 CA GLY A 45 0.609 3.809 -3.930 1.00 0.00 C ATOM 725 C GLY A 45 1.032 4.489 -2.641 1.00 0.00 C ATOM 726 O GLY A 45 1.647 5.552 -2.678 1.00 0.00 O ATOM 0 H GLY A 45 -0.515 2.051 -3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.349 4.021 -4.701 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.334 4.241 -4.265 1.00 0.00 H new ATOM 730 N VAL A 46 0.698 3.908 -1.498 1.00 0.00 N ATOM 731 CA VAL A 46 1.127 4.487 -0.235 1.00 0.00 C ATOM 732 C VAL A 46 2.562 4.075 0.094 1.00 0.00 C ATOM 733 O VAL A 46 3.457 4.918 0.099 1.00 0.00 O ATOM 734 CB VAL A 46 0.180 4.142 0.951 1.00 0.00 C ATOM 735 CG1 VAL A 46 -1.154 4.852 0.792 1.00 0.00 C ATOM 736 CG2 VAL A 46 -0.046 2.644 1.097 1.00 0.00 C ATOM 0 H VAL A 46 0.144 3.055 -1.419 1.00 0.00 H new ATOM 0 HA VAL A 46 1.084 5.568 -0.367 1.00 0.00 H new ATOM 0 HB VAL A 46 0.672 4.490 1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.803 4.599 1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.992 5.930 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.625 4.537 -0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.713 2.457 1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.495 2.253 0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.908 2.148 1.274 1.00 0.00 H new ATOM 746 N ILE A 47 2.772 2.775 0.290 1.00 0.00 N ATOM 747 CA ILE A 47 4.040 2.239 0.778 1.00 0.00 C ATOM 748 C ILE A 47 5.196 2.554 -0.167 1.00 0.00 C ATOM 749 O ILE A 47 6.237 3.064 0.252 1.00 0.00 O ATOM 750 CB ILE A 47 3.938 0.707 0.977 1.00 0.00 C ATOM 751 CG1 ILE A 47 2.830 0.376 1.986 1.00 0.00 C ATOM 752 CG2 ILE A 47 5.267 0.119 1.431 1.00 0.00 C ATOM 753 CD1 ILE A 47 2.612 -1.108 2.190 1.00 0.00 C ATOM 0 H ILE A 47 2.065 2.061 0.114 1.00 0.00 H new ATOM 0 HA ILE A 47 4.245 2.721 1.734 1.00 0.00 H new ATOM 0 HB ILE A 47 3.686 0.257 0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.076 0.833 2.945 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.897 0.828 1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.163 -0.958 1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.030 0.321 0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.561 0.573 2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.814 -1.262 2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.334 -1.569 1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.531 -1.563 2.559 1.00 0.00 H new ATOM 765 N TYR A 48 5.008 2.258 -1.443 1.00 0.00 N ATOM 766 CA TYR A 48 6.065 2.438 -2.427 1.00 0.00 C ATOM 767 C TYR A 48 5.890 3.770 -3.152 1.00 0.00 C ATOM 768 O TYR A 48 6.764 4.204 -3.903 1.00 0.00 O ATOM 769 CB TYR A 48 6.040 1.267 -3.418 1.00 0.00 C ATOM 770 CG TYR A 48 7.158 1.280 -4.439 1.00 0.00 C ATOM 771 CD1 TYR A 48 8.456 0.938 -4.080 1.00 0.00 C ATOM 772 CD2 TYR A 48 6.913 1.626 -5.761 1.00 0.00 C ATOM 773 CE1 TYR A 48 9.478 0.942 -5.012 1.00 0.00 C ATOM 774 CE2 TYR A 48 7.929 1.632 -6.700 1.00 0.00 C ATOM 775 CZ TYR A 48 9.209 1.289 -6.321 1.00 0.00 C ATOM 776 OH TYR A 48 10.224 1.291 -7.252 1.00 0.00 O ATOM 0 H TYR A 48 4.135 1.892 -1.822 1.00 0.00 H new ATOM 0 HA TYR A 48 7.032 2.454 -1.925 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.088 0.333 -2.858 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.085 1.274 -3.944 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.670 0.665 -3.057 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.911 1.895 -6.062 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.482 0.675 -4.717 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.720 1.904 -7.724 1.00 0.00 H new ATOM 0 HH TYR A 48 9.867 1.557 -8.125 1.00 0.00 H new ATOM 786 N GLY A 49 4.766 4.424 -2.903 1.00 0.00 N ATOM 787 CA GLY A 49 4.444 5.634 -3.626 1.00 0.00 C ATOM 788 C GLY A 49 4.720 6.907 -2.850 1.00 0.00 C ATOM 789 O GLY A 49 5.700 7.607 -3.119 1.00 0.00 O ATOM 0 H GLY A 49 4.072 4.138 -2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.017 5.654 -4.553 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.390 5.610 -3.903 1.00 0.00 H new ATOM 793 N LEU A 50 3.855 7.218 -1.895 1.00 0.00 N ATOM 794 CA LEU A 50 3.898 8.519 -1.239 1.00 0.00 C ATOM 795 C LEU A 50 4.442 8.454 0.187 1.00 0.00 C ATOM 796 O LEU A 50 5.598 8.798 0.434 1.00 0.00 O ATOM 797 CB LEU A 50 2.507 9.173 -1.228 1.00 0.00 C ATOM 798 CG LEU A 50 2.055 9.832 -2.540 1.00 0.00 C ATOM 799 CD1 LEU A 50 1.758 8.798 -3.614 1.00 0.00 C ATOM 800 CD2 LEU A 50 0.834 10.705 -2.295 1.00 0.00 C ATOM 0 H LEU A 50 3.121 6.595 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 50 4.588 9.127 -1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.774 8.414 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.490 9.928 -0.442 1.00 0.00 H new ATOM 0 HG LEU A 50 2.874 10.455 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.441 9.302 -4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.656 8.214 -3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.963 8.135 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.523 11.167 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.021 10.092 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.082 11.482 -1.572 1.00 0.00 H new ATOM 812 N ILE A 51 3.617 7.984 1.116 1.00 0.00 N ATOM 813 CA ILE A 51 3.893 8.162 2.535 1.00 0.00 C ATOM 814 C ILE A 51 4.072 6.849 3.282 1.00 0.00 C ATOM 815 O ILE A 51 4.043 5.770 2.698 1.00 0.00 O ATOM 816 CB ILE A 51 2.786 9.000 3.223 1.00 0.00 C ATOM 817 CG1 ILE A 51 1.383 8.603 2.732 1.00 0.00 C ATOM 818 CG2 ILE A 51 3.027 10.484 2.984 1.00 0.00 C ATOM 819 CD1 ILE A 51 0.921 7.234 3.180 1.00 0.00 C ATOM 0 H ILE A 51 2.755 7.479 0.912 1.00 0.00 H new ATOM 0 HA ILE A 51 4.841 8.698 2.582 1.00 0.00 H new ATOM 0 HB ILE A 51 2.832 8.795 4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.667 9.346 3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.371 8.637 1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.243 11.063 3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.996 10.766 3.396 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.015 10.687 1.913 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.077 7.040 2.787 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.611 6.477 2.807 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.896 7.197 4.269 1.00 0.00 H new ATOM 831 N THR A 52 4.253 6.963 4.587 1.00 0.00 N ATOM 832 CA THR A 52 4.476 5.810 5.437 1.00 0.00 C ATOM 833 C THR A 52 3.166 5.224 5.961 1.00 0.00 C ATOM 834 O THR A 52 2.098 5.826 5.808 1.00 0.00 O ATOM 835 CB THR A 52 5.399 6.186 6.611 1.00 0.00 C ATOM 836 OG1 THR A 52 5.349 7.602 6.839 1.00 0.00 O ATOM 837 CG2 THR A 52 6.828 5.784 6.315 1.00 0.00 C ATOM 0 H THR A 52 4.249 7.854 5.083 1.00 0.00 H new ATOM 0 HA THR A 52 4.958 5.043 4.830 1.00 0.00 H new ATOM 0 HB THR A 52 5.055 5.656 7.499 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.718 7.795 7.563 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.465 6.058 7.156 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.878 4.707 6.158 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.172 6.298 5.417 1.00 0.00 H new ATOM 845 N LEU A 53 3.255 4.049 6.579 1.00 0.00 N ATOM 846 CA LEU A 53 2.079 3.332 7.062 1.00 0.00 C ATOM 847 C LEU A 53 1.296 4.151 8.082 1.00 0.00 C ATOM 848 O LEU A 53 0.079 4.033 8.166 1.00 0.00 O ATOM 849 CB LEU A 53 2.483 1.988 7.676 1.00 0.00 C ATOM 850 CG LEU A 53 1.328 1.161 8.245 1.00 0.00 C ATOM 851 CD1 LEU A 53 0.302 0.857 7.163 1.00 0.00 C ATOM 852 CD2 LEU A 53 1.850 -0.125 8.875 1.00 0.00 C ATOM 0 H LEU A 53 4.138 3.570 6.758 1.00 0.00 H new ATOM 0 HA LEU A 53 1.432 3.156 6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.992 1.397 6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.204 2.172 8.472 1.00 0.00 H new ATOM 0 HG LEU A 53 0.837 1.745 9.023 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.511 0.268 7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.095 1.791 6.766 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.777 0.294 6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.014 -0.700 9.274 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.369 -0.716 8.120 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.541 0.119 9.682 1.00 0.00 H new ATOM 864 N ALA A 54 1.987 4.981 8.849 1.00 0.00 N ATOM 865 CA ALA A 54 1.331 5.809 9.851 1.00 0.00 C ATOM 866 C ALA A 54 0.301 6.730 9.199 1.00 0.00 C ATOM 867 O ALA A 54 -0.851 6.798 9.625 1.00 0.00 O ATOM 868 CB ALA A 54 2.363 6.617 10.619 1.00 0.00 C ATOM 0 H ALA A 54 2.999 5.099 8.798 1.00 0.00 H new ATOM 0 HA ALA A 54 0.807 5.158 10.551 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.861 7.232 11.366 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.059 5.941 11.115 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.910 7.259 9.928 1.00 0.00 H new ATOM 874 N GLU A 55 0.730 7.419 8.153 1.00 0.00 N ATOM 875 CA GLU A 55 -0.136 8.319 7.401 1.00 0.00 C ATOM 876 C GLU A 55 -1.255 7.545 6.713 1.00 0.00 C ATOM 877 O GLU A 55 -2.429 7.911 6.802 1.00 0.00 O ATOM 878 CB GLU A 55 0.690 9.091 6.363 1.00 0.00 C ATOM 879 CG GLU A 55 1.577 10.176 6.955 1.00 0.00 C ATOM 880 CD GLU A 55 2.618 9.620 7.899 1.00 0.00 C ATOM 881 OE1 GLU A 55 3.165 8.540 7.610 1.00 0.00 O ATOM 882 OE2 GLU A 55 2.879 10.246 8.947 1.00 0.00 O ATOM 0 H GLU A 55 1.686 7.372 7.801 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.589 9.026 8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.314 8.386 5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.012 9.545 5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.074 10.715 6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.957 10.898 7.487 1.00 0.00 H new ATOM 889 N ALA A 56 -0.880 6.470 6.033 1.00 0.00 N ATOM 890 CA ALA A 56 -1.839 5.615 5.343 1.00 0.00 C ATOM 891 C ALA A 56 -2.817 4.959 6.303 1.00 0.00 C ATOM 892 O ALA A 56 -3.916 4.620 5.907 1.00 0.00 O ATOM 893 CB ALA A 56 -1.109 4.552 4.539 1.00 0.00 C ATOM 0 H ALA A 56 0.090 6.167 5.944 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.416 6.251 4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.835 3.920 4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.464 5.032 3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.503 3.941 5.209 1.00 0.00 H new ATOM 899 N LYS A 57 -2.436 4.784 7.555 1.00 0.00 N ATOM 900 CA LYS A 57 -3.331 4.164 8.521 1.00 0.00 C ATOM 901 C LYS A 57 -4.262 5.203 9.134 1.00 0.00 C ATOM 902 O LYS A 57 -5.463 4.970 9.272 1.00 0.00 O ATOM 903 CB LYS A 57 -2.536 3.435 9.607 1.00 0.00 C ATOM 904 CG LYS A 57 -3.371 2.481 10.449 1.00 0.00 C ATOM 905 CD LYS A 57 -2.596 1.216 10.794 1.00 0.00 C ATOM 906 CE LYS A 57 -1.484 1.468 11.803 1.00 0.00 C ATOM 907 NZ LYS A 57 -2.017 1.688 13.173 1.00 0.00 N ATOM 0 H LYS A 57 -1.526 5.057 7.926 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.941 3.427 7.998 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.727 2.876 9.137 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.074 4.173 10.263 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.681 2.981 11.367 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.279 2.216 9.908 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.283 0.471 11.195 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.167 0.797 9.884 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.802 0.618 11.811 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.905 2.338 11.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.226 1.788 13.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.594 2.553 13.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.604 0.876 13.451 1.00 0.00 H new ATOM 921 N GLN A 58 -3.719 6.363 9.475 1.00 0.00 N ATOM 922 CA GLN A 58 -4.523 7.430 10.058 1.00 0.00 C ATOM 923 C GLN A 58 -5.498 8.010 9.030 1.00 0.00 C ATOM 924 O GLN A 58 -6.584 8.471 9.385 1.00 0.00 O ATOM 925 CB GLN A 58 -3.619 8.528 10.628 1.00 0.00 C ATOM 926 CG GLN A 58 -2.811 8.071 11.836 1.00 0.00 C ATOM 927 CD GLN A 58 -1.872 9.139 12.363 1.00 0.00 C ATOM 928 OE1 GLN A 58 -2.142 10.337 12.255 1.00 0.00 O ATOM 929 NE2 GLN A 58 -0.768 8.710 12.955 1.00 0.00 N ATOM 0 H GLN A 58 -2.731 6.590 9.359 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.111 7.007 10.873 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.936 8.868 9.850 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.232 9.384 10.911 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.495 7.772 12.631 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.232 7.188 11.565 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.582 7.709 13.024 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.104 9.380 13.342 1.00 0.00 H new ATOM 938 N THR A 59 -5.119 7.969 7.761 1.00 0.00 N ATOM 939 CA THR A 59 -5.973 8.485 6.701 1.00 0.00 C ATOM 940 C THR A 59 -6.728 7.363 5.982 1.00 0.00 C ATOM 941 O THR A 59 -7.956 7.366 5.935 1.00 0.00 O ATOM 942 CB THR A 59 -5.153 9.290 5.677 1.00 0.00 C ATOM 943 OG1 THR A 59 -4.369 10.283 6.356 1.00 0.00 O ATOM 944 CG2 THR A 59 -6.065 9.960 4.658 1.00 0.00 C ATOM 0 H THR A 59 -4.230 7.586 7.441 1.00 0.00 H new ATOM 0 HA THR A 59 -6.703 9.142 7.175 1.00 0.00 H new ATOM 0 HB THR A 59 -4.492 8.603 5.148 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.548 9.873 6.699 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.462 10.523 3.945 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.639 9.200 4.128 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.748 10.638 5.171 1.00 0.00 H new ATOM 952 N TYR A 60 -5.994 6.394 5.443 1.00 0.00 N ATOM 953 CA TYR A 60 -6.593 5.351 4.612 1.00 0.00 C ATOM 954 C TYR A 60 -6.680 4.022 5.360 1.00 0.00 C ATOM 955 O TYR A 60 -6.860 2.981 4.743 1.00 0.00 O ATOM 956 CB TYR A 60 -5.787 5.140 3.325 1.00 0.00 C ATOM 957 CG TYR A 60 -5.447 6.412 2.577 1.00 0.00 C ATOM 958 CD1 TYR A 60 -6.406 7.087 1.829 1.00 0.00 C ATOM 959 CD2 TYR A 60 -4.159 6.933 2.612 1.00 0.00 C ATOM 960 CE1 TYR A 60 -6.092 8.245 1.141 1.00 0.00 C ATOM 961 CE2 TYR A 60 -3.836 8.090 1.925 1.00 0.00 C ATOM 962 CZ TYR A 60 -4.806 8.739 1.191 1.00 0.00 C ATOM 963 OH TYR A 60 -4.487 9.889 0.505 1.00 0.00 O ATOM 0 H TYR A 60 -4.985 6.308 5.566 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.599 5.688 4.362 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.861 4.622 3.573 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.351 4.484 2.662 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.413 6.700 1.785 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.397 6.426 3.185 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.850 8.759 0.568 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.830 8.482 1.964 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.541 10.102 0.646 1.00 0.00 H new ATOM 973 N GLY A 61 -6.546 4.070 6.683 1.00 0.00 N ATOM 974 CA GLY A 61 -6.405 2.856 7.474 1.00 0.00 C ATOM 975 C GLY A 61 -7.575 1.897 7.390 1.00 0.00 C ATOM 976 O GLY A 61 -7.383 0.698 7.571 1.00 0.00 O ATOM 0 H GLY A 61 -6.532 4.934 7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.503 2.334 7.153 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.258 3.135 8.517 1.00 0.00 H new ATOM 980 N LEU A 62 -8.771 2.424 7.111 1.00 0.00 N ATOM 981 CA LEU A 62 -10.017 1.637 7.073 1.00 0.00 C ATOM 982 C LEU A 62 -10.163 0.783 8.332 1.00 0.00 C ATOM 983 O LEU A 62 -10.716 1.220 9.342 1.00 0.00 O ATOM 984 CB LEU A 62 -10.101 0.732 5.827 1.00 0.00 C ATOM 985 CG LEU A 62 -9.142 1.068 4.679 1.00 0.00 C ATOM 986 CD1 LEU A 62 -8.015 0.047 4.603 1.00 0.00 C ATOM 987 CD2 LEU A 62 -9.882 1.135 3.358 1.00 0.00 C ATOM 0 H LEU A 62 -8.908 3.413 6.903 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.834 2.356 7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.916 -0.296 6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.121 0.771 5.444 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.709 2.048 4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.346 0.304 3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.458 0.050 5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.434 -0.945 4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.180 1.375 2.559 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.349 0.172 3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.650 1.907 3.410 1.00 0.00 H new ATOM 999 N SER A 63 -9.648 -0.431 8.255 1.00 0.00 N ATOM 1000 CA SER A 63 -9.588 -1.333 9.385 1.00 0.00 C ATOM 1001 C SER A 63 -8.227 -2.013 9.392 1.00 0.00 C ATOM 1002 O SER A 63 -7.675 -2.303 8.327 1.00 0.00 O ATOM 1003 CB SER A 63 -10.706 -2.378 9.303 1.00 0.00 C ATOM 1004 OG SER A 63 -10.493 -3.434 10.227 1.00 0.00 O ATOM 0 H SER A 63 -9.257 -0.820 7.397 1.00 0.00 H new ATOM 0 HA SER A 63 -9.726 -0.770 10.308 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.666 -1.903 9.505 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.756 -2.781 8.292 1.00 0.00 H new ATOM 0 HG SER A 63 -11.222 -4.085 10.154 1.00 0.00 H new ATOM 1010 N ASP A 64 -7.687 -2.257 10.580 1.00 0.00 N ATOM 1011 CA ASP A 64 -6.390 -2.916 10.711 1.00 0.00 C ATOM 1012 C ASP A 64 -6.422 -4.264 10.001 1.00 0.00 C ATOM 1013 O ASP A 64 -5.494 -4.625 9.277 1.00 0.00 O ATOM 1014 CB ASP A 64 -6.034 -3.097 12.192 1.00 0.00 C ATOM 1015 CG ASP A 64 -4.665 -3.719 12.401 1.00 0.00 C ATOM 1016 OD1 ASP A 64 -3.666 -2.970 12.459 1.00 0.00 O ATOM 1017 OD2 ASP A 64 -4.581 -4.958 12.524 1.00 0.00 O ATOM 0 H ASP A 64 -8.126 -2.009 11.467 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.625 -2.293 10.248 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.066 -2.127 12.689 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.788 -3.724 12.667 1.00 0.00 H new ATOM 1022 N GLU A 65 -7.526 -4.982 10.186 1.00 0.00 N ATOM 1023 CA GLU A 65 -7.734 -6.265 9.531 1.00 0.00 C ATOM 1024 C GLU A 65 -7.788 -6.099 8.018 1.00 0.00 C ATOM 1025 O GLU A 65 -7.164 -6.857 7.277 1.00 0.00 O ATOM 1026 CB GLU A 65 -9.040 -6.890 10.006 1.00 0.00 C ATOM 1027 CG GLU A 65 -9.089 -7.159 11.496 1.00 0.00 C ATOM 1028 CD GLU A 65 -10.465 -7.599 11.944 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -10.904 -8.696 11.534 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -11.119 -6.844 12.691 1.00 0.00 O ATOM 0 H GLU A 65 -8.295 -4.692 10.790 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.897 -6.913 9.790 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.865 -6.229 9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -9.197 -7.828 9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.361 -7.929 11.750 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.802 -6.258 12.037 1.00 0.00 H new ATOM 1037 N GLU A 66 -8.551 -5.109 7.571 1.00 0.00 N ATOM 1038 CA GLU A 66 -8.710 -4.834 6.149 1.00 0.00 C ATOM 1039 C GLU A 66 -7.356 -4.585 5.495 1.00 0.00 C ATOM 1040 O GLU A 66 -6.976 -5.269 4.545 1.00 0.00 O ATOM 1041 CB GLU A 66 -9.618 -3.614 5.961 1.00 0.00 C ATOM 1042 CG GLU A 66 -9.857 -3.227 4.511 1.00 0.00 C ATOM 1043 CD GLU A 66 -10.647 -4.269 3.747 1.00 0.00 C ATOM 1044 OE1 GLU A 66 -11.840 -4.453 4.055 1.00 0.00 O ATOM 1045 OE2 GLU A 66 -10.085 -4.905 2.834 1.00 0.00 O ATOM 0 H GLU A 66 -9.073 -4.478 8.179 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.166 -5.701 5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.579 -3.815 6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.178 -2.765 6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.390 -2.277 4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.897 -3.072 4.018 1.00 0.00 H new ATOM 1052 N PHE A 67 -6.618 -3.634 6.047 1.00 0.00 N ATOM 1053 CA PHE A 67 -5.362 -3.193 5.464 1.00 0.00 C ATOM 1054 C PHE A 67 -4.334 -4.328 5.442 1.00 0.00 C ATOM 1055 O PHE A 67 -3.629 -4.517 4.448 1.00 0.00 O ATOM 1056 CB PHE A 67 -4.813 -1.997 6.248 1.00 0.00 C ATOM 1057 CG PHE A 67 -3.755 -1.227 5.508 1.00 0.00 C ATOM 1058 CD1 PHE A 67 -2.427 -1.617 5.562 1.00 0.00 C ATOM 1059 CD2 PHE A 67 -4.093 -0.112 4.759 1.00 0.00 C ATOM 1060 CE1 PHE A 67 -1.458 -0.910 4.881 1.00 0.00 C ATOM 1061 CE2 PHE A 67 -3.128 0.601 4.077 1.00 0.00 C ATOM 1062 CZ PHE A 67 -1.806 0.200 4.139 1.00 0.00 C ATOM 0 H PHE A 67 -6.872 -3.149 6.908 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.552 -2.891 4.434 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.636 -1.325 6.492 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.399 -2.351 7.192 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.147 -2.483 6.143 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.125 0.203 4.708 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.426 -1.225 4.929 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.404 1.469 3.497 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.047 0.755 3.607 1.00 0.00 H new ATOM 1072 N ASN A 68 -4.261 -5.099 6.529 1.00 0.00 N ATOM 1073 CA ASN A 68 -3.268 -6.170 6.622 1.00 0.00 C ATOM 1074 C ASN A 68 -3.611 -7.315 5.673 1.00 0.00 C ATOM 1075 O ASN A 68 -2.739 -8.101 5.298 1.00 0.00 O ATOM 1076 CB ASN A 68 -3.081 -6.673 8.078 1.00 0.00 C ATOM 1077 CG ASN A 68 -4.224 -7.513 8.650 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -4.864 -8.308 7.962 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -4.475 -7.346 9.940 1.00 0.00 N ATOM 0 H ASN A 68 -4.867 -5.005 7.344 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.311 -5.751 6.313 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.166 -7.263 8.123 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.934 -5.808 8.724 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.216 -7.884 10.389 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.927 -6.679 10.484 1.00 0.00 H new ATOM 1086 N SER A 69 -4.874 -7.389 5.265 1.00 0.00 N ATOM 1087 CA SER A 69 -5.305 -8.402 4.312 1.00 0.00 C ATOM 1088 C SER A 69 -4.765 -8.086 2.919 1.00 0.00 C ATOM 1089 O SER A 69 -4.495 -8.990 2.126 1.00 0.00 O ATOM 1090 CB SER A 69 -6.833 -8.504 4.289 1.00 0.00 C ATOM 1091 OG SER A 69 -7.342 -8.834 5.573 1.00 0.00 O ATOM 0 H SER A 69 -5.614 -6.761 5.579 1.00 0.00 H new ATOM 0 HA SER A 69 -4.904 -9.366 4.626 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.259 -7.557 3.958 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.139 -9.261 3.567 1.00 0.00 H new ATOM 0 HG SER A 69 -7.428 -8.019 6.110 1.00 0.00 H new ATOM 1097 N TRP A 70 -4.586 -6.800 2.630 1.00 0.00 N ATOM 1098 CA TRP A 70 -4.033 -6.387 1.347 1.00 0.00 C ATOM 1099 C TRP A 70 -2.566 -6.791 1.274 1.00 0.00 C ATOM 1100 O TRP A 70 -2.109 -7.360 0.285 1.00 0.00 O ATOM 1101 CB TRP A 70 -4.165 -4.872 1.150 1.00 0.00 C ATOM 1102 CG TRP A 70 -5.561 -4.343 1.315 1.00 0.00 C ATOM 1103 CD1 TRP A 70 -6.698 -5.064 1.540 1.00 0.00 C ATOM 1104 CD2 TRP A 70 -5.965 -2.971 1.258 1.00 0.00 C ATOM 1105 NE1 TRP A 70 -7.773 -4.224 1.659 1.00 0.00 N ATOM 1106 CE2 TRP A 70 -7.353 -2.934 1.480 1.00 0.00 C ATOM 1107 CE3 TRP A 70 -5.289 -1.767 1.053 1.00 0.00 C ATOM 1108 CZ2 TRP A 70 -8.076 -1.747 1.494 1.00 0.00 C ATOM 1109 CZ3 TRP A 70 -6.008 -0.588 1.064 1.00 0.00 C ATOM 1110 CH2 TRP A 70 -7.388 -0.587 1.286 1.00 0.00 C ATOM 0 H TRP A 70 -4.814 -6.033 3.262 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.593 -6.882 0.554 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.512 -4.367 1.862 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.808 -4.615 0.153 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -6.743 -6.141 1.613 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -8.732 -4.513 1.850 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -4.222 -1.758 0.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -9.143 -1.743 1.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -5.496 0.348 0.898 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.921 0.352 1.293 1.00 0.00 H new ATOM 1121 N VAL A 71 -1.842 -6.518 2.356 1.00 0.00 N ATOM 1122 CA VAL A 71 -0.426 -6.844 2.439 1.00 0.00 C ATOM 1123 C VAL A 71 -0.220 -8.358 2.433 1.00 0.00 C ATOM 1124 O VAL A 71 0.706 -8.862 1.800 1.00 0.00 O ATOM 1125 CB VAL A 71 0.216 -6.249 3.710 1.00 0.00 C ATOM 1126 CG1 VAL A 71 1.721 -6.475 3.719 1.00 0.00 C ATOM 1127 CG2 VAL A 71 -0.106 -4.765 3.826 1.00 0.00 C ATOM 0 H VAL A 71 -2.218 -6.069 3.191 1.00 0.00 H new ATOM 0 HA VAL A 71 0.058 -6.407 1.565 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.205 -6.762 4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.148 -6.046 4.625 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.928 -7.545 3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.166 -5.996 2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.355 -4.362 4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.283 -4.239 2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.186 -4.630 3.879 1.00 0.00 H new ATOM 1137 N SER A 72 -1.096 -9.074 3.131 1.00 0.00 N ATOM 1138 CA SER A 72 -1.017 -10.529 3.203 1.00 0.00 C ATOM 1139 C SER A 72 -1.164 -11.140 1.809 1.00 0.00 C ATOM 1140 O SER A 72 -0.429 -12.059 1.443 1.00 0.00 O ATOM 1141 CB SER A 72 -2.098 -11.076 4.141 1.00 0.00 C ATOM 1142 OG SER A 72 -1.935 -12.467 4.368 1.00 0.00 O ATOM 0 H SER A 72 -1.871 -8.669 3.656 1.00 0.00 H new ATOM 0 HA SER A 72 -0.040 -10.804 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.059 -10.544 5.092 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.082 -10.889 3.711 1.00 0.00 H new ATOM 0 HG SER A 72 -2.639 -12.785 4.971 1.00 0.00 H new ATOM 1148 N ALA A 73 -2.091 -10.601 1.021 1.00 0.00 N ATOM 1149 CA ALA A 73 -2.323 -11.097 -0.328 1.00 0.00 C ATOM 1150 C ALA A 73 -1.131 -10.780 -1.222 1.00 0.00 C ATOM 1151 O ALA A 73 -0.831 -11.510 -2.165 1.00 0.00 O ATOM 1152 CB ALA A 73 -3.595 -10.496 -0.903 1.00 0.00 C ATOM 0 H ALA A 73 -2.691 -9.823 1.295 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.443 -12.179 -0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.754 -10.877 -1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.443 -10.769 -0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.502 -9.410 -0.936 1.00 0.00 H new ATOM 1158 N LEU A 74 -0.445 -9.697 -0.896 1.00 0.00 N ATOM 1159 CA LEU A 74 0.708 -9.247 -1.664 1.00 0.00 C ATOM 1160 C LEU A 74 1.991 -9.910 -1.181 1.00 0.00 C ATOM 1161 O LEU A 74 3.055 -9.738 -1.775 1.00 0.00 O ATOM 1162 CB LEU A 74 0.826 -7.734 -1.560 1.00 0.00 C ATOM 1163 CG LEU A 74 -0.307 -6.966 -2.230 1.00 0.00 C ATOM 1164 CD1 LEU A 74 -0.212 -5.492 -1.899 1.00 0.00 C ATOM 1165 CD2 LEU A 74 -0.278 -7.183 -3.734 1.00 0.00 C ATOM 0 H LEU A 74 -0.669 -9.106 -0.095 1.00 0.00 H new ATOM 0 HA LEU A 74 0.561 -9.533 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.863 -7.456 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.771 -7.424 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.256 -7.342 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.028 -4.957 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.281 -5.356 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.741 -5.100 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.093 -6.628 -4.198 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.673 -6.832 -4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.393 -8.245 -3.951 1.00 0.00 H new ATOM 1177 N ALA A 75 1.886 -10.643 -0.086 1.00 0.00 N ATOM 1178 CA ALA A 75 3.005 -11.418 0.425 1.00 0.00 C ATOM 1179 C ALA A 75 2.859 -12.873 0.018 1.00 0.00 C ATOM 1180 O ALA A 75 3.822 -13.639 0.078 1.00 0.00 O ATOM 1181 CB ALA A 75 3.084 -11.298 1.936 1.00 0.00 C ATOM 0 H ALA A 75 1.033 -10.718 0.469 1.00 0.00 H new ATOM 0 HA ALA A 75 3.928 -11.025 -0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.927 -11.884 2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.221 -10.252 2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.161 -11.672 2.379 1.00 0.00 H new ATOM 1187 N GLU A 76 1.637 -13.233 -0.380 1.00 0.00 N ATOM 1188 CA GLU A 76 1.283 -14.591 -0.801 1.00 0.00 C ATOM 1189 C GLU A 76 1.219 -15.540 0.392 1.00 0.00 C ATOM 1190 O GLU A 76 0.248 -16.274 0.563 1.00 0.00 O ATOM 1191 CB GLU A 76 2.262 -15.127 -1.851 1.00 0.00 C ATOM 1192 CG GLU A 76 1.811 -16.431 -2.484 1.00 0.00 C ATOM 1193 CD GLU A 76 2.827 -16.984 -3.455 1.00 0.00 C ATOM 1194 OE1 GLU A 76 2.886 -16.497 -4.600 1.00 0.00 O ATOM 1195 OE2 GLU A 76 3.570 -17.908 -3.074 1.00 0.00 O ATOM 0 H GLU A 76 0.854 -12.580 -0.420 1.00 0.00 H new ATOM 0 HA GLU A 76 0.293 -14.538 -1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.392 -14.378 -2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.237 -15.275 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.624 -17.166 -1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.866 -16.271 -3.003 1.00 0.00 H new ATOM 1202 N HIS A 77 2.255 -15.523 1.209 1.00 0.00 N ATOM 1203 CA HIS A 77 2.325 -16.382 2.379 1.00 0.00 C ATOM 1204 C HIS A 77 2.619 -15.575 3.635 1.00 0.00 C ATOM 1205 O HIS A 77 3.710 -15.026 3.792 1.00 0.00 O ATOM 1206 CB HIS A 77 3.398 -17.460 2.192 1.00 0.00 C ATOM 1207 CG HIS A 77 3.010 -18.537 1.226 1.00 0.00 C ATOM 1208 ND1 HIS A 77 3.886 -19.098 0.326 1.00 0.00 N ATOM 1209 CD2 HIS A 77 1.836 -19.184 1.054 1.00 0.00 C ATOM 1210 CE1 HIS A 77 3.268 -20.041 -0.357 1.00 0.00 C ATOM 1211 NE2 HIS A 77 2.017 -20.119 0.066 1.00 0.00 N ATOM 0 H HIS A 77 3.067 -14.919 1.083 1.00 0.00 H new ATOM 0 HA HIS A 77 1.354 -16.862 2.496 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.318 -16.988 1.846 1.00 0.00 H new ATOM 0 HB3 HIS A 77 3.617 -17.913 3.159 1.00 0.00 H new ATOM 0 HD2 HIS A 77 0.921 -18.999 1.596 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.710 -20.649 -1.133 1.00 0.00 H new ATOM 0 HE2 HIS A 77 1.308 -20.764 -0.283 1.00 0.00 H new ATOM 1220 N GLY A 78 1.631 -15.487 4.513 1.00 0.00 N ATOM 1221 CA GLY A 78 1.846 -14.886 5.813 1.00 0.00 C ATOM 1222 C GLY A 78 2.375 -15.904 6.795 1.00 0.00 C ATOM 1223 O GLY A 78 3.558 -16.249 6.750 1.00 0.00 O ATOM 0 H GLY A 78 0.682 -15.822 4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.551 -14.060 5.724 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.910 -14.468 6.184 1.00 0.00 H new ATOM 1227 N LYS A 79 1.492 -16.373 7.682 1.00 0.00 N ATOM 1228 CA LYS A 79 1.779 -17.478 8.604 1.00 0.00 C ATOM 1229 C LYS A 79 2.768 -17.068 9.694 1.00 0.00 C ATOM 1230 O LYS A 79 2.452 -17.098 10.884 1.00 0.00 O ATOM 1231 CB LYS A 79 2.298 -18.692 7.823 1.00 0.00 C ATOM 1232 CG LYS A 79 2.463 -19.948 8.659 1.00 0.00 C ATOM 1233 CD LYS A 79 2.840 -21.139 7.791 1.00 0.00 C ATOM 1234 CE LYS A 79 2.946 -22.418 8.603 1.00 0.00 C ATOM 1235 NZ LYS A 79 1.675 -22.739 9.307 1.00 0.00 N ATOM 0 H LYS A 79 0.550 -15.994 7.782 1.00 0.00 H new ATOM 0 HA LYS A 79 0.849 -17.749 9.103 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.611 -18.903 7.003 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.259 -18.438 7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.232 -19.787 9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.535 -20.160 9.189 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.094 -21.267 7.006 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.792 -20.942 7.297 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.214 -23.244 7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.749 -22.318 9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.693 -23.731 9.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.569 -22.117 10.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.874 -22.595 8.660 1.00 0.00 H new ATOM 1249 N ASP A 80 3.951 -16.668 9.271 1.00 0.00 N ATOM 1250 CA ASP A 80 5.015 -16.267 10.179 1.00 0.00 C ATOM 1251 C ASP A 80 4.859 -14.796 10.558 1.00 0.00 C ATOM 1252 O ASP A 80 5.139 -14.400 11.689 1.00 0.00 O ATOM 1253 CB ASP A 80 6.370 -16.499 9.507 1.00 0.00 C ATOM 1254 CG ASP A 80 7.538 -16.116 10.388 1.00 0.00 C ATOM 1255 OD1 ASP A 80 7.793 -14.907 10.548 1.00 0.00 O ATOM 1256 OD2 ASP A 80 8.232 -17.022 10.897 1.00 0.00 O ATOM 0 H ASP A 80 4.205 -16.611 8.285 1.00 0.00 H new ATOM 0 HA ASP A 80 4.957 -16.865 11.088 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.458 -17.550 9.232 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.415 -15.923 8.583 1.00 0.00 H new ATOM 1261 N ALA A 81 4.430 -14.001 9.571 1.00 0.00 N ATOM 1262 CA ALA A 81 4.110 -12.577 9.752 1.00 0.00 C ATOM 1263 C ALA A 81 5.353 -11.685 9.827 1.00 0.00 C ATOM 1264 O ALA A 81 5.236 -10.461 9.781 1.00 0.00 O ATOM 1265 CB ALA A 81 3.221 -12.357 10.971 1.00 0.00 C ATOM 0 H ALA A 81 4.293 -14.329 8.615 1.00 0.00 H new ATOM 0 HA ALA A 81 3.561 -12.279 8.859 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.004 -11.294 11.076 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.289 -12.907 10.845 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.734 -12.712 11.865 1.00 0.00 H new ATOM 1271 N LEU A 82 6.536 -12.279 9.935 1.00 0.00 N ATOM 1272 CA LEU A 82 7.770 -11.497 9.970 1.00 0.00 C ATOM 1273 C LEU A 82 8.440 -11.506 8.595 1.00 0.00 C ATOM 1274 O LEU A 82 8.986 -10.497 8.151 1.00 0.00 O ATOM 1275 CB LEU A 82 8.717 -12.048 11.052 1.00 0.00 C ATOM 1276 CG LEU A 82 9.896 -11.146 11.454 1.00 0.00 C ATOM 1277 CD1 LEU A 82 10.399 -11.529 12.837 1.00 0.00 C ATOM 1278 CD2 LEU A 82 11.037 -11.246 10.452 1.00 0.00 C ATOM 0 H LEU A 82 6.669 -13.288 9.999 1.00 0.00 H new ATOM 0 HA LEU A 82 7.530 -10.464 10.223 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.129 -12.259 11.945 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.118 -12.999 10.702 1.00 0.00 H new ATOM 0 HG LEU A 82 9.538 -10.116 11.466 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.234 -10.884 13.112 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.594 -11.410 13.563 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.730 -12.568 12.829 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.854 -10.596 10.765 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.390 -12.276 10.404 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.685 -10.937 9.468 1.00 0.00 H new ATOM 1290 N LYS A 83 8.375 -12.643 7.912 1.00 0.00 N ATOM 1291 CA LYS A 83 9.006 -12.783 6.599 1.00 0.00 C ATOM 1292 C LYS A 83 8.068 -12.320 5.484 1.00 0.00 C ATOM 1293 O LYS A 83 8.244 -12.684 4.319 1.00 0.00 O ATOM 1294 CB LYS A 83 9.439 -14.235 6.341 1.00 0.00 C ATOM 1295 CG LYS A 83 10.587 -14.726 7.226 1.00 0.00 C ATOM 1296 CD LYS A 83 10.135 -14.967 8.655 1.00 0.00 C ATOM 1297 CE LYS A 83 11.228 -15.583 9.515 1.00 0.00 C ATOM 1298 NZ LYS A 83 10.738 -15.889 10.887 1.00 0.00 N ATOM 0 H LYS A 83 7.894 -13.480 8.241 1.00 0.00 H new ATOM 0 HA LYS A 83 9.892 -12.149 6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.579 -14.888 6.489 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.736 -14.331 5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.995 -15.649 6.813 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.392 -13.991 7.219 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.819 -14.022 9.097 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.266 -15.624 8.652 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.590 -16.497 9.045 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.074 -14.899 9.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.514 -16.292 11.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.400 -15.015 11.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.958 -16.574 10.832 1.00 0.00 H new ATOM 1312 N VAL A 84 7.082 -11.511 5.848 1.00 0.00 N ATOM 1313 CA VAL A 84 6.153 -10.938 4.880 1.00 0.00 C ATOM 1314 C VAL A 84 6.907 -10.075 3.875 1.00 0.00 C ATOM 1315 O VAL A 84 7.564 -9.110 4.255 1.00 0.00 O ATOM 1316 CB VAL A 84 5.070 -10.087 5.583 1.00 0.00 C ATOM 1317 CG1 VAL A 84 4.165 -9.400 4.573 1.00 0.00 C ATOM 1318 CG2 VAL A 84 4.248 -10.945 6.528 1.00 0.00 C ATOM 0 H VAL A 84 6.903 -11.235 6.813 1.00 0.00 H new ATOM 0 HA VAL A 84 5.663 -11.760 4.359 1.00 0.00 H new ATOM 0 HB VAL A 84 5.578 -9.315 6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.415 -8.810 5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.761 -8.746 3.937 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.670 -10.151 3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.491 -10.329 7.014 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.761 -11.742 5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.901 -11.381 7.284 1.00 0.00 H new ATOM 1328 N THR A 85 6.802 -10.430 2.600 1.00 0.00 N ATOM 1329 CA THR A 85 7.538 -9.764 1.528 1.00 0.00 C ATOM 1330 C THR A 85 7.435 -8.235 1.609 1.00 0.00 C ATOM 1331 O THR A 85 8.450 -7.536 1.638 1.00 0.00 O ATOM 1332 CB THR A 85 7.014 -10.237 0.158 1.00 0.00 C ATOM 1333 OG1 THR A 85 6.966 -11.671 0.128 1.00 0.00 O ATOM 1334 CG2 THR A 85 7.895 -9.729 -0.975 1.00 0.00 C ATOM 0 H THR A 85 6.203 -11.190 2.278 1.00 0.00 H new ATOM 0 HA THR A 85 8.588 -10.033 1.646 1.00 0.00 H new ATOM 0 HB THR A 85 6.012 -9.831 0.018 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.631 -11.969 -0.743 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.500 -10.079 -1.928 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.907 -8.639 -0.966 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.910 -10.104 -0.843 1.00 0.00 H new ATOM 1342 N ALA A 86 6.211 -7.726 1.674 1.00 0.00 N ATOM 1343 CA ALA A 86 5.984 -6.283 1.655 1.00 0.00 C ATOM 1344 C ALA A 86 6.340 -5.630 2.988 1.00 0.00 C ATOM 1345 O ALA A 86 6.581 -4.429 3.050 1.00 0.00 O ATOM 1346 CB ALA A 86 4.540 -5.986 1.288 1.00 0.00 C ATOM 0 H ALA A 86 5.362 -8.287 1.740 1.00 0.00 H new ATOM 0 HA ALA A 86 6.643 -5.856 0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.382 -4.908 1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.324 -6.395 0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.877 -6.442 2.023 1.00 0.00 H new ATOM 1352 N LEU A 87 6.401 -6.427 4.045 1.00 0.00 N ATOM 1353 CA LEU A 87 6.646 -5.899 5.382 1.00 0.00 C ATOM 1354 C LEU A 87 8.143 -5.895 5.663 1.00 0.00 C ATOM 1355 O LEU A 87 8.684 -4.934 6.199 1.00 0.00 O ATOM 1356 CB LEU A 87 5.902 -6.744 6.427 1.00 0.00 C ATOM 1357 CG LEU A 87 5.433 -6.001 7.689 1.00 0.00 C ATOM 1358 CD1 LEU A 87 6.607 -5.580 8.556 1.00 0.00 C ATOM 1359 CD2 LEU A 87 4.594 -4.790 7.307 1.00 0.00 C ATOM 0 H LEU A 87 6.285 -7.440 4.005 1.00 0.00 H new ATOM 0 HA LEU A 87 6.274 -4.876 5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.031 -7.192 5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.553 -7.563 6.733 1.00 0.00 H new ATOM 0 HG LEU A 87 4.820 -6.688 8.272 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.238 -5.058 9.439 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.167 -6.463 8.864 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.259 -4.917 7.988 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.269 -4.273 8.210 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.190 -4.112 6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.721 -5.116 6.741 1.00 0.00 H new ATOM 1371 N LYS A 88 8.799 -6.977 5.277 1.00 0.00 N ATOM 1372 CA LYS A 88 10.244 -7.106 5.409 1.00 0.00 C ATOM 1373 C LYS A 88 10.947 -6.038 4.576 1.00 0.00 C ATOM 1374 O LYS A 88 11.957 -5.468 4.995 1.00 0.00 O ATOM 1375 CB LYS A 88 10.654 -8.515 4.971 1.00 0.00 C ATOM 1376 CG LYS A 88 12.151 -8.777 4.944 1.00 0.00 C ATOM 1377 CD LYS A 88 12.430 -10.224 4.574 1.00 0.00 C ATOM 1378 CE LYS A 88 13.907 -10.490 4.346 1.00 0.00 C ATOM 1379 NZ LYS A 88 14.154 -11.917 4.007 1.00 0.00 N ATOM 0 H LYS A 88 8.346 -7.792 4.863 1.00 0.00 H new ATOM 0 HA LYS A 88 10.541 -6.958 6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.188 -9.236 5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.251 -8.700 3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 88 12.630 -8.112 4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.583 -8.555 5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 88 12.065 -10.876 5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 88 11.874 -10.479 3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.273 -9.854 3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 88 14.469 -10.224 5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.172 -12.067 3.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 13.826 -12.521 4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.636 -12.162 3.139 1.00 0.00 H new ATOM 1393 N LYS A 89 10.393 -5.756 3.405 1.00 0.00 N ATOM 1394 CA LYS A 89 10.921 -4.700 2.554 1.00 0.00 C ATOM 1395 C LYS A 89 10.587 -3.331 3.126 1.00 0.00 C ATOM 1396 O LYS A 89 11.402 -2.416 3.050 1.00 0.00 O ATOM 1397 CB LYS A 89 10.404 -4.841 1.121 1.00 0.00 C ATOM 1398 CG LYS A 89 11.170 -5.874 0.310 1.00 0.00 C ATOM 1399 CD LYS A 89 10.536 -6.107 -1.050 1.00 0.00 C ATOM 1400 CE LYS A 89 11.474 -6.852 -1.991 1.00 0.00 C ATOM 1401 NZ LYS A 89 12.008 -8.111 -1.395 1.00 0.00 N ATOM 0 H LYS A 89 9.581 -6.242 3.024 1.00 0.00 H new ATOM 0 HA LYS A 89 12.006 -4.797 2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.350 -5.117 1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 89 10.468 -3.875 0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.200 -5.542 0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.206 -6.814 0.860 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.615 -6.677 -0.929 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.262 -5.149 -1.493 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.944 -7.088 -2.914 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.306 -6.201 -2.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.514 -8.653 -2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.662 -7.878 -0.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.221 -8.681 -1.025 1.00 0.00 H new ATOM 1415 N TYR A 90 9.401 -3.202 3.718 1.00 0.00 N ATOM 1416 CA TYR A 90 9.016 -1.969 4.396 1.00 0.00 C ATOM 1417 C TYR A 90 9.981 -1.687 5.544 1.00 0.00 C ATOM 1418 O TYR A 90 10.452 -0.564 5.704 1.00 0.00 O ATOM 1419 CB TYR A 90 7.573 -2.068 4.916 1.00 0.00 C ATOM 1420 CG TYR A 90 7.056 -0.800 5.562 1.00 0.00 C ATOM 1421 CD1 TYR A 90 6.986 0.390 4.849 1.00 0.00 C ATOM 1422 CD2 TYR A 90 6.626 -0.800 6.882 1.00 0.00 C ATOM 1423 CE1 TYR A 90 6.508 1.547 5.436 1.00 0.00 C ATOM 1424 CE2 TYR A 90 6.146 0.351 7.476 1.00 0.00 C ATOM 1425 CZ TYR A 90 6.089 1.522 6.748 1.00 0.00 C ATOM 1426 OH TYR A 90 5.617 2.675 7.340 1.00 0.00 O ATOM 0 H TYR A 90 8.692 -3.935 3.741 1.00 0.00 H new ATOM 0 HA TYR A 90 9.064 -1.145 3.684 1.00 0.00 H new ATOM 0 HB2 TYR A 90 6.917 -2.333 4.086 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.515 -2.881 5.640 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.310 0.412 3.819 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.667 -1.715 7.454 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.463 2.465 4.869 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.817 0.335 8.505 1.00 0.00 H new ATOM 0 HH TYR A 90 5.361 2.486 8.267 1.00 0.00 H new ATOM 1436 N ARG A 91 10.290 -2.721 6.323 1.00 0.00 N ATOM 1437 CA ARG A 91 11.226 -2.596 7.438 1.00 0.00 C ATOM 1438 C ARG A 91 12.590 -2.116 6.956 1.00 0.00 C ATOM 1439 O ARG A 91 13.129 -1.131 7.463 1.00 0.00 O ATOM 1440 CB ARG A 91 11.396 -3.932 8.169 1.00 0.00 C ATOM 1441 CG ARG A 91 10.157 -4.401 8.912 1.00 0.00 C ATOM 1442 CD ARG A 91 9.708 -3.383 9.946 1.00 0.00 C ATOM 1443 NE ARG A 91 10.791 -2.999 10.853 1.00 0.00 N ATOM 1444 CZ ARG A 91 10.619 -2.717 12.144 1.00 0.00 C ATOM 1445 NH1 ARG A 91 9.435 -2.869 12.715 1.00 0.00 N ATOM 1446 NH2 ARG A 91 11.647 -2.311 12.877 1.00 0.00 N ATOM 0 H ARG A 91 9.905 -3.658 6.202 1.00 0.00 H new ATOM 0 HA ARG A 91 10.808 -1.861 8.127 1.00 0.00 H new ATOM 0 HB2 ARG A 91 11.682 -4.695 7.445 1.00 0.00 H new ATOM 0 HB3 ARG A 91 12.219 -3.842 8.879 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.350 -4.578 8.201 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.364 -5.352 9.403 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.330 -2.495 9.439 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.882 -3.796 10.524 1.00 0.00 H new ATOM 0 HE ARG A 91 11.736 -2.944 10.473 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.643 -3.205 12.166 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.314 -2.650 13.704 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.569 -2.215 12.453 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.515 -2.095 13.865 1.00 0.00 H new ATOM 1460 N GLN A 92 13.140 -2.825 5.975 1.00 0.00 N ATOM 1461 CA GLN A 92 14.443 -2.478 5.413 1.00 0.00 C ATOM 1462 C GLN A 92 14.428 -1.072 4.816 1.00 0.00 C ATOM 1463 O GLN A 92 15.367 -0.299 4.999 1.00 0.00 O ATOM 1464 CB GLN A 92 14.844 -3.485 4.334 1.00 0.00 C ATOM 1465 CG GLN A 92 16.198 -3.189 3.704 1.00 0.00 C ATOM 1466 CD GLN A 92 16.497 -4.073 2.509 1.00 0.00 C ATOM 1467 OE1 GLN A 92 17.651 -4.379 2.225 1.00 0.00 O ATOM 1468 NE2 GLN A 92 15.460 -4.479 1.798 1.00 0.00 N ATOM 0 H GLN A 92 12.704 -3.644 5.552 1.00 0.00 H new ATOM 0 HA GLN A 92 15.171 -2.506 6.223 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.865 -4.484 4.770 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.083 -3.493 3.554 1.00 0.00 H new ATOM 0 HG2 GLN A 92 16.229 -2.144 3.394 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.979 -3.322 4.453 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.516 -4.202 2.068 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.603 -5.070 0.979 1.00 0.00 H new ATOM 1477 N LEU A 93 13.355 -0.750 4.109 1.00 0.00 N ATOM 1478 CA LEU A 93 13.223 0.539 3.445 1.00 0.00 C ATOM 1479 C LEU A 93 13.124 1.676 4.461 1.00 0.00 C ATOM 1480 O LEU A 93 13.581 2.793 4.203 1.00 0.00 O ATOM 1481 CB LEU A 93 11.997 0.525 2.528 1.00 0.00 C ATOM 1482 CG LEU A 93 11.652 1.858 1.855 1.00 0.00 C ATOM 1483 CD1 LEU A 93 12.757 2.283 0.894 1.00 0.00 C ATOM 1484 CD2 LEU A 93 10.320 1.752 1.127 1.00 0.00 C ATOM 0 H LEU A 93 12.556 -1.370 3.980 1.00 0.00 H new ATOM 0 HA LEU A 93 14.116 0.712 2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.157 -0.222 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.135 0.200 3.110 1.00 0.00 H new ATOM 0 HG LEU A 93 11.566 2.621 2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.489 3.232 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.692 2.399 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.881 1.523 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.087 2.706 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.382 0.975 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.535 1.500 1.840 1.00 0.00 H new ATOM 1496 N LEU A 94 12.531 1.392 5.613 1.00 0.00 N ATOM 1497 CA LEU A 94 12.413 2.383 6.672 1.00 0.00 C ATOM 1498 C LEU A 94 13.776 2.749 7.237 1.00 0.00 C ATOM 1499 O LEU A 94 14.232 3.885 7.077 1.00 0.00 O ATOM 1500 CB LEU A 94 11.516 1.873 7.801 1.00 0.00 C ATOM 1501 CG LEU A 94 10.030 1.780 7.468 1.00 0.00 C ATOM 1502 CD1 LEU A 94 9.271 1.162 8.631 1.00 0.00 C ATOM 1503 CD2 LEU A 94 9.469 3.154 7.138 1.00 0.00 C ATOM 0 H LEU A 94 12.125 0.484 5.837 1.00 0.00 H new ATOM 0 HA LEU A 94 11.963 3.273 6.232 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.866 0.885 8.101 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.637 2.530 8.663 1.00 0.00 H new ATOM 0 HG LEU A 94 9.909 1.142 6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.212 1.100 8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.657 0.161 8.826 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.400 1.780 9.519 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.408 3.067 6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.598 3.815 7.995 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.998 3.566 6.279 1.00 0.00 H new ATOM 1515 N GLU A 95 14.423 1.776 7.885 1.00 0.00 N ATOM 1516 CA GLU A 95 15.657 2.027 8.628 1.00 0.00 C ATOM 1517 C GLU A 95 15.372 3.059 9.729 1.00 0.00 C ATOM 1518 O GLU A 95 14.212 3.405 9.955 1.00 0.00 O ATOM 1519 CB GLU A 95 16.762 2.509 7.672 1.00 0.00 C ATOM 1520 CG GLU A 95 18.091 1.789 7.843 1.00 0.00 C ATOM 1521 CD GLU A 95 18.879 2.277 9.036 1.00 0.00 C ATOM 1522 OE1 GLU A 95 18.551 1.891 10.171 1.00 0.00 O ATOM 1523 OE2 GLU A 95 19.833 3.059 8.842 1.00 0.00 O ATOM 0 H GLU A 95 14.110 0.805 7.909 1.00 0.00 H new ATOM 0 HA GLU A 95 16.009 1.107 9.095 1.00 0.00 H new ATOM 0 HB2 GLU A 95 16.421 2.379 6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 95 16.918 3.577 7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 95 17.907 0.720 7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 95 18.688 1.922 6.941 1.00 0.00 H new ATOM 1530 N HIS A 96 16.411 3.515 10.427 1.00 0.00 N ATOM 1531 CA HIS A 96 16.266 4.545 11.463 1.00 0.00 C ATOM 1532 C HIS A 96 15.369 4.058 12.596 1.00 0.00 C ATOM 1533 O HIS A 96 14.145 4.147 12.511 1.00 0.00 O ATOM 1534 CB HIS A 96 15.685 5.846 10.884 1.00 0.00 C ATOM 1535 CG HIS A 96 16.599 6.577 9.951 1.00 0.00 C ATOM 1536 ND1 HIS A 96 17.177 7.789 10.262 1.00 0.00 N ATOM 1537 CD2 HIS A 96 17.023 6.271 8.703 1.00 0.00 C ATOM 1538 CE1 HIS A 96 17.913 8.195 9.246 1.00 0.00 C ATOM 1539 NE2 HIS A 96 17.839 7.293 8.286 1.00 0.00 N ATOM 0 H HIS A 96 17.368 3.188 10.295 1.00 0.00 H new ATOM 0 HA HIS A 96 17.264 4.746 11.853 1.00 0.00 H new ATOM 0 HB2 HIS A 96 14.760 5.612 10.356 1.00 0.00 H new ATOM 0 HB3 HIS A 96 15.423 6.509 11.708 1.00 0.00 H new ATOM 0 HD2 HIS A 96 16.767 5.386 8.139 1.00 0.00 H new ATOM 0 HE1 HIS A 96 18.481 9.112 9.206 1.00 0.00 H new ATOM 0 HE2 HIS A 96 18.310 7.346 7.383 1.00 0.00 H new ATOM 1548 N HIS A 97 15.972 3.549 13.660 1.00 0.00 N ATOM 1549 CA HIS A 97 15.193 3.042 14.781 1.00 0.00 C ATOM 1550 C HIS A 97 14.390 4.182 15.393 1.00 0.00 C ATOM 1551 O HIS A 97 13.212 4.020 15.694 1.00 0.00 O ATOM 1552 CB HIS A 97 16.094 2.402 15.837 1.00 0.00 C ATOM 1553 CG HIS A 97 15.370 1.433 16.724 1.00 0.00 C ATOM 1554 ND1 HIS A 97 15.477 0.068 16.579 1.00 0.00 N ATOM 1555 CD2 HIS A 97 14.517 1.633 17.757 1.00 0.00 C ATOM 1556 CE1 HIS A 97 14.721 -0.529 17.479 1.00 0.00 C ATOM 1557 NE2 HIS A 97 14.127 0.397 18.209 1.00 0.00 N ATOM 0 H HIS A 97 16.983 3.476 13.771 1.00 0.00 H new ATOM 0 HA HIS A 97 14.515 2.272 14.414 1.00 0.00 H new ATOM 0 HB2 HIS A 97 16.915 1.886 15.340 1.00 0.00 H new ATOM 0 HB3 HIS A 97 16.536 3.186 16.451 1.00 0.00 H new ATOM 0 HD2 HIS A 97 14.202 2.588 18.152 1.00 0.00 H new ATOM 0 HE1 HIS A 97 14.607 -1.596 17.599 1.00 0.00 H new ATOM 0 HE2 HIS A 97 13.484 0.223 18.982 1.00 0.00 H new ATOM 1566 N HIS A 98 15.049 5.333 15.554 1.00 0.00 N ATOM 1567 CA HIS A 98 14.402 6.570 16.004 1.00 0.00 C ATOM 1568 C HIS A 98 13.653 6.350 17.325 1.00 0.00 C ATOM 1569 O HIS A 98 14.256 6.376 18.395 1.00 0.00 O ATOM 1570 CB HIS A 98 13.459 7.087 14.906 1.00 0.00 C ATOM 1571 CG HIS A 98 13.107 8.543 15.006 1.00 0.00 C ATOM 1572 ND1 HIS A 98 13.491 9.475 14.063 1.00 0.00 N ATOM 1573 CD2 HIS A 98 12.376 9.221 15.919 1.00 0.00 C ATOM 1574 CE1 HIS A 98 13.014 10.657 14.395 1.00 0.00 C ATOM 1575 NE2 HIS A 98 12.333 10.531 15.515 1.00 0.00 N ATOM 0 H HIS A 98 16.048 5.434 15.376 1.00 0.00 H new ATOM 0 HA HIS A 98 15.167 7.324 16.190 1.00 0.00 H new ATOM 0 HB2 HIS A 98 13.922 6.906 13.936 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.539 6.503 14.934 1.00 0.00 H new ATOM 0 HD2 HIS A 98 11.912 8.808 16.802 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.157 11.574 13.842 1.00 0.00 H new ATOM 0 HE2 HIS A 98 11.851 11.286 16.003 1.00 0.00 H new ATOM 1584 N HIS A 99 12.345 6.123 17.241 1.00 0.00 N ATOM 1585 CA HIS A 99 11.535 5.785 18.410 1.00 0.00 C ATOM 1586 C HIS A 99 10.526 4.715 18.029 1.00 0.00 C ATOM 1587 O HIS A 99 9.534 4.495 18.728 1.00 0.00 O ATOM 1588 CB HIS A 99 10.793 7.012 18.958 1.00 0.00 C ATOM 1589 CG HIS A 99 11.664 7.989 19.686 1.00 0.00 C ATOM 1590 ND1 HIS A 99 11.532 9.353 19.551 1.00 0.00 N ATOM 1591 CD2 HIS A 99 12.667 7.797 20.577 1.00 0.00 C ATOM 1592 CE1 HIS A 99 12.415 9.958 20.324 1.00 0.00 C ATOM 1593 NE2 HIS A 99 13.115 9.036 20.956 1.00 0.00 N ATOM 0 H HIS A 99 11.819 6.167 16.368 1.00 0.00 H new ATOM 0 HA HIS A 99 12.202 5.418 19.190 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.305 7.526 18.130 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.006 6.674 19.632 1.00 0.00 H new ATOM 0 HD2 HIS A 99 13.043 6.846 20.924 1.00 0.00 H new ATOM 0 HE1 HIS A 99 12.542 11.026 20.422 1.00 0.00 H new ATOM 0 HE2 HIS A 99 13.868 9.216 21.620 1.00 0.00 H new ATOM 1602 N HIS A 100 10.799 4.043 16.925 1.00 0.00 N ATOM 1603 CA HIS A 100 9.864 3.088 16.358 1.00 0.00 C ATOM 1604 C HIS A 100 10.303 1.659 16.634 1.00 0.00 C ATOM 1605 O HIS A 100 11.485 1.334 16.549 1.00 0.00 O ATOM 1606 CB HIS A 100 9.732 3.308 14.845 1.00 0.00 C ATOM 1607 CG HIS A 100 8.698 2.438 14.198 1.00 0.00 C ATOM 1608 ND1 HIS A 100 7.354 2.704 14.275 1.00 0.00 N ATOM 1609 CD2 HIS A 100 8.812 1.291 13.486 1.00 0.00 C ATOM 1610 CE1 HIS A 100 6.682 1.763 13.643 1.00 0.00 C ATOM 1611 NE2 HIS A 100 7.540 0.888 13.152 1.00 0.00 N ATOM 0 H HIS A 100 11.668 4.142 16.400 1.00 0.00 H new ATOM 0 HA HIS A 100 8.895 3.247 16.831 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.483 4.353 14.659 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.697 3.122 14.374 1.00 0.00 H new ATOM 0 HD2 HIS A 100 9.731 0.786 13.228 1.00 0.00 H new ATOM 0 HE1 HIS A 100 5.608 1.715 13.543 1.00 0.00 H new ATOM 0 HE2 HIS A 100 7.300 0.054 12.616 1.00 0.00 H new ATOM 1620 N HIS A 101 9.336 0.820 16.969 1.00 0.00 N ATOM 1621 CA HIS A 101 9.573 -0.603 17.116 1.00 0.00 C ATOM 1622 C HIS A 101 9.020 -1.335 15.901 1.00 0.00 C ATOM 1623 O HIS A 101 9.815 -1.705 15.024 1.00 0.00 O ATOM 1624 CB HIS A 101 8.932 -1.128 18.405 1.00 0.00 C ATOM 1625 CG HIS A 101 8.885 -2.624 18.490 1.00 0.00 C ATOM 1626 ND1 HIS A 101 10.007 -3.421 18.403 1.00 0.00 N ATOM 1627 CD2 HIS A 101 7.837 -3.468 18.629 1.00 0.00 C ATOM 1628 CE1 HIS A 101 9.649 -4.689 18.484 1.00 0.00 C ATOM 1629 NE2 HIS A 101 8.338 -4.744 18.624 1.00 0.00 N ATOM 1630 OXT HIS A 101 7.786 -1.501 15.817 1.00 0.00 O ATOM 0 H HIS A 101 8.373 1.105 17.145 1.00 0.00 H new ATOM 0 HA HIS A 101 10.646 -0.782 17.182 1.00 0.00 H new ATOM 0 HB2 HIS A 101 9.487 -0.742 19.260 1.00 0.00 H new ATOM 0 HB3 HIS A 101 7.917 -0.737 18.481 1.00 0.00 H new ATOM 0 HD2 HIS A 101 6.798 -3.188 18.726 1.00 0.00 H new ATOM 0 HE1 HIS A 101 10.316 -5.537 18.443 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.787 -5.598 18.714 1.00 0.00 H new TER 1639 HIS A 101