USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 GLN : amide:sc= 0 X(o=0.91,f=0.83) USER MOD Set 1.2: A 51 THR OG1 : rot -59:sc= 0.915 USER MOD Single : A 0 SER OG : rot 16:sc= 1.02 USER MOD Single : A 1 MET CE :methyl -178:sc= 0 (180deg=-0.00584) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc=-0.00603 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.547 USER MOD Single : A -3 GLY N :NH3+ -123:sc= 0.0835 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 46:sc= 0.172 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 145:sc= -1.17 (180deg=-3.61!) USER MOD Single : A 44 GLN : amide:sc= -1.08 K(o=-1.1,f=-4.8!) USER MOD Single : A 47 ASN : amide:sc= -2 K(o=-2,f=-3!) USER MOD Single : A 50 ASN : amide:sc= -0.201 K(o=-0.2,f=-4.1!) USER MOD Single : A 54 GLN :FLIP amide:sc= -2.32! F(o=-3.4,f=-2.3!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.439 K(o=-0.44,f=-1.2) USER MOD Single : A 65 CYS SG : rot -80:sc= -0.543 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0504 X(o=-0.05,f=-0.069) USER MOD Single : A 74 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0483) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN :FLIP amide:sc= 0.283 F(o=-0.63,f=0.28) USER MOD Single : A 85 HIS : no HD1:sc= -0.0442 X(o=-0.044,f=-0.0027) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 1.330 0.000 0.000 1.00 0.00 N ATOM 2 CA GLY A -3 2.071 0.001 -1.247 1.00 0.00 C ATOM 3 C GLY A -3 3.558 -0.212 -1.038 1.00 0.00 C ATOM 4 O GLY A -3 4.031 -0.375 0.087 1.00 0.00 O ATOM 0 H1 GLY A -3 0.592 -0.732 -0.035 1.00 0.00 H new ATOM 0 H2 GLY A -3 1.978 -0.200 0.789 1.00 0.00 H new ATOM 0 H3 GLY A -3 0.888 0.931 0.142 1.00 0.00 H new ATOM 0 HA2 GLY A -3 1.683 -0.783 -1.897 1.00 0.00 H new ATOM 0 HA3 GLY A -3 1.911 0.949 -1.760 1.00 0.00 H new ATOM 8 N PRO A -2 4.320 -0.215 -2.142 1.00 0.00 N ATOM 9 CA PRO A -2 5.772 -0.410 -2.100 1.00 0.00 C ATOM 10 C PRO A -2 6.499 0.779 -1.482 1.00 0.00 C ATOM 11 O PRO A -2 5.905 1.831 -1.251 1.00 0.00 O ATOM 12 CB PRO A -2 6.152 -0.561 -3.575 1.00 0.00 C ATOM 13 CG PRO A -2 5.081 0.159 -4.318 1.00 0.00 C ATOM 14 CD PRO A -2 3.823 -0.027 -3.515 1.00 0.00 C ATOM 0 HA PRO A -2 6.051 -1.265 -1.484 1.00 0.00 H new ATOM 0 HB2 PRO A -2 7.132 -0.130 -3.777 1.00 0.00 H new ATOM 0 HB3 PRO A -2 6.199 -1.610 -3.866 1.00 0.00 H new ATOM 0 HG2 PRO A -2 5.323 1.216 -4.425 1.00 0.00 H new ATOM 0 HG3 PRO A -2 4.965 -0.244 -5.324 1.00 0.00 H new ATOM 0 HD2 PRO A -2 3.167 0.840 -3.590 1.00 0.00 H new ATOM 0 HD3 PRO A -2 3.252 -0.890 -3.857 1.00 0.00 H new ATOM 22 N GLY A -1 7.791 0.605 -1.216 1.00 0.00 N ATOM 23 CA GLY A -1 8.578 1.673 -0.627 1.00 0.00 C ATOM 24 C GLY A -1 9.136 2.623 -1.668 1.00 0.00 C ATOM 25 O GLY A -1 8.866 2.477 -2.860 1.00 0.00 O ATOM 0 H GLY A -1 8.306 -0.256 -1.398 1.00 0.00 H new ATOM 0 HA2 GLY A -1 7.959 2.231 0.076 1.00 0.00 H new ATOM 0 HA3 GLY A -1 9.400 1.242 -0.055 1.00 0.00 H new ATOM 29 N SER A 0 9.916 3.600 -1.217 1.00 0.00 N ATOM 30 CA SER A 0 10.510 4.581 -2.117 1.00 0.00 C ATOM 31 C SER A 0 11.699 5.274 -1.457 1.00 0.00 C ATOM 32 O SER A 0 11.556 5.925 -0.423 1.00 0.00 O ATOM 33 CB SER A 0 9.467 5.620 -2.534 1.00 0.00 C ATOM 34 OG SER A 0 8.575 5.088 -3.498 1.00 0.00 O ATOM 0 H SER A 0 10.151 3.733 -0.233 1.00 0.00 H new ATOM 0 HA SER A 0 10.864 4.056 -3.004 1.00 0.00 H new ATOM 0 HB2 SER A 0 8.907 5.950 -1.659 1.00 0.00 H new ATOM 0 HB3 SER A 0 9.967 6.498 -2.942 1.00 0.00 H new ATOM 0 HG SER A 0 8.644 4.110 -3.504 1.00 0.00 H new ATOM 40 N MET A 1 12.872 5.129 -2.065 1.00 0.00 N ATOM 41 CA MET A 1 14.086 5.742 -1.538 1.00 0.00 C ATOM 42 C MET A 1 14.857 6.458 -2.642 1.00 0.00 C ATOM 43 O MET A 1 15.050 5.916 -3.731 1.00 0.00 O ATOM 44 CB MET A 1 14.975 4.682 -0.884 1.00 0.00 C ATOM 45 CG MET A 1 15.427 3.593 -1.842 1.00 0.00 C ATOM 46 SD MET A 1 15.964 2.097 -0.990 1.00 0.00 S ATOM 47 CE MET A 1 17.426 2.695 -0.145 1.00 0.00 C ATOM 0 H MET A 1 13.008 4.593 -2.922 1.00 0.00 H new ATOM 0 HA MET A 1 13.796 6.477 -0.787 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.853 5.168 -0.459 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.432 4.224 -0.057 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.609 3.347 -2.519 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.245 3.971 -2.455 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.893 1.874 0.399 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.130 3.094 -0.875 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.145 3.481 0.556 1.00 0.00 H new ATOM 57 N LYS A 2 15.295 7.679 -2.355 1.00 0.00 N ATOM 58 CA LYS A 2 16.046 8.470 -3.323 1.00 0.00 C ATOM 59 C LYS A 2 17.545 8.222 -3.182 1.00 0.00 C ATOM 60 O LYS A 2 17.979 7.468 -2.312 1.00 0.00 O ATOM 61 CB LYS A 2 15.746 9.959 -3.138 1.00 0.00 C ATOM 62 CG LYS A 2 14.571 10.450 -3.967 1.00 0.00 C ATOM 63 CD LYS A 2 13.244 10.102 -3.314 1.00 0.00 C ATOM 64 CE LYS A 2 12.711 8.767 -3.811 1.00 0.00 C ATOM 65 NZ LYS A 2 11.862 8.925 -5.024 1.00 0.00 N ATOM 0 H LYS A 2 15.143 8.143 -1.459 1.00 0.00 H new ATOM 0 HA LYS A 2 15.737 8.164 -4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.543 10.152 -2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.633 10.535 -3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.642 11.530 -4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.616 10.006 -4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.369 10.065 -2.232 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.517 10.886 -3.525 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.546 8.104 -4.036 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.130 8.291 -3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.518 7.993 -5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.051 9.537 -4.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.423 9.356 -5.787 1.00 0.00 H new ATOM 79 N GLU A 3 18.329 8.862 -4.044 1.00 0.00 N ATOM 80 CA GLU A 3 19.779 8.710 -4.014 1.00 0.00 C ATOM 81 C GLU A 3 20.471 10.064 -4.142 1.00 0.00 C ATOM 82 O GLU A 3 19.975 10.964 -4.821 1.00 0.00 O ATOM 83 CB GLU A 3 20.240 7.781 -5.139 1.00 0.00 C ATOM 84 CG GLU A 3 19.914 8.299 -6.529 1.00 0.00 C ATOM 85 CD GLU A 3 19.838 7.192 -7.562 1.00 0.00 C ATOM 86 OE1 GLU A 3 20.802 6.403 -7.657 1.00 0.00 O ATOM 87 OE2 GLU A 3 18.816 7.114 -8.276 1.00 0.00 O ATOM 0 H GLU A 3 17.985 9.490 -4.771 1.00 0.00 H new ATOM 0 HA GLU A 3 20.053 8.271 -3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 3 21.317 7.634 -5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.774 6.805 -5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.963 8.830 -6.501 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.673 9.021 -6.831 1.00 0.00 H new ATOM 94 N ILE A 4 21.618 10.200 -3.486 1.00 0.00 N ATOM 95 CA ILE A 4 22.378 11.443 -3.527 1.00 0.00 C ATOM 96 C ILE A 4 23.591 11.316 -4.443 1.00 0.00 C ATOM 97 O ILE A 4 24.289 10.302 -4.428 1.00 0.00 O ATOM 98 CB ILE A 4 22.851 11.861 -2.122 1.00 0.00 C ATOM 99 CG1 ILE A 4 23.363 13.302 -2.140 1.00 0.00 C ATOM 100 CG2 ILE A 4 23.934 10.914 -1.625 1.00 0.00 C ATOM 101 CD1 ILE A 4 24.833 13.418 -2.480 1.00 0.00 C ATOM 0 H ILE A 4 22.042 9.465 -2.920 1.00 0.00 H new ATOM 0 HA ILE A 4 21.709 12.209 -3.919 1.00 0.00 H new ATOM 0 HB ILE A 4 22.004 11.805 -1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 4 22.785 13.875 -2.865 1.00 0.00 H new ATOM 0 HG13 ILE A 4 23.188 13.753 -1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 4 24.258 11.222 -0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 4 23.537 9.900 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 4 24.783 10.941 -2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 4 25.126 14.468 -2.474 1.00 0.00 H new ATOM 0 HD12 ILE A 4 25.421 12.873 -1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 4 25.012 12.997 -3.469 1.00 0.00 H new ATOM 113 N ILE A 5 23.836 12.352 -5.238 1.00 0.00 N ATOM 114 CA ILE A 5 24.966 12.358 -6.158 1.00 0.00 C ATOM 115 C ILE A 5 25.761 13.655 -6.046 1.00 0.00 C ATOM 116 O ILE A 5 25.204 14.748 -6.160 1.00 0.00 O ATOM 117 CB ILE A 5 24.506 12.175 -7.616 1.00 0.00 C ATOM 118 CG1 ILE A 5 23.347 11.179 -7.687 1.00 0.00 C ATOM 119 CG2 ILE A 5 25.666 11.709 -8.484 1.00 0.00 C ATOM 120 CD1 ILE A 5 22.877 10.898 -9.097 1.00 0.00 C ATOM 0 H ILE A 5 23.267 13.198 -5.263 1.00 0.00 H new ATOM 0 HA ILE A 5 25.604 11.519 -5.879 1.00 0.00 H new ATOM 0 HB ILE A 5 24.158 13.136 -7.995 1.00 0.00 H new ATOM 0 HG12 ILE A 5 23.654 10.242 -7.222 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.511 11.565 -7.104 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.324 11.584 -9.512 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.464 12.451 -8.454 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.042 10.757 -8.109 1.00 0.00 H new ATOM 0 HD11 ILE A 5 22.054 10.184 -9.071 1.00 0.00 H new ATOM 0 HD12 ILE A 5 22.538 11.825 -9.559 1.00 0.00 H new ATOM 0 HD13 ILE A 5 23.700 10.482 -9.679 1.00 0.00 H new ATOM 132 N LEU A 6 27.064 13.526 -5.824 1.00 0.00 N ATOM 133 CA LEU A 6 27.937 14.689 -5.698 1.00 0.00 C ATOM 134 C LEU A 6 28.812 14.849 -6.937 1.00 0.00 C ATOM 135 O LEU A 6 29.509 13.919 -7.342 1.00 0.00 O ATOM 136 CB LEU A 6 28.815 14.559 -4.453 1.00 0.00 C ATOM 137 CG LEU A 6 29.339 13.156 -4.144 1.00 0.00 C ATOM 138 CD1 LEU A 6 30.812 13.205 -3.772 1.00 0.00 C ATOM 139 CD2 LEU A 6 28.526 12.518 -3.026 1.00 0.00 C ATOM 0 H LEU A 6 27.540 12.629 -5.727 1.00 0.00 H new ATOM 0 HA LEU A 6 27.310 15.575 -5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 6 29.669 15.228 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 6 28.245 14.910 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 6 29.232 12.544 -5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 6 31.166 12.197 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 6 31.383 13.620 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 6 30.944 13.833 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 6 28.912 11.520 -2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 6 28.601 13.130 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 6 27.482 12.447 -3.330 1.00 0.00 H new ATOM 151 N TYR A 7 28.771 16.035 -7.534 1.00 0.00 N ATOM 152 CA TYR A 7 29.559 16.317 -8.728 1.00 0.00 C ATOM 153 C TYR A 7 30.754 17.206 -8.393 1.00 0.00 C ATOM 154 O TYR A 7 30.601 18.398 -8.125 1.00 0.00 O ATOM 155 CB TYR A 7 28.691 16.991 -9.791 1.00 0.00 C ATOM 156 CG TYR A 7 27.602 16.096 -10.340 1.00 0.00 C ATOM 157 CD1 TYR A 7 27.850 15.245 -11.410 1.00 0.00 C ATOM 158 CD2 TYR A 7 26.327 16.102 -9.789 1.00 0.00 C ATOM 159 CE1 TYR A 7 26.858 14.426 -11.915 1.00 0.00 C ATOM 160 CE2 TYR A 7 25.330 15.286 -10.286 1.00 0.00 C ATOM 161 CZ TYR A 7 25.600 14.449 -11.349 1.00 0.00 C ATOM 162 OH TYR A 7 24.610 13.636 -11.849 1.00 0.00 O ATOM 0 H TYR A 7 28.201 16.816 -7.211 1.00 0.00 H new ATOM 0 HA TYR A 7 29.930 15.370 -9.120 1.00 0.00 H new ATOM 0 HB2 TYR A 7 28.235 17.884 -9.363 1.00 0.00 H new ATOM 0 HB3 TYR A 7 29.327 17.321 -10.612 1.00 0.00 H new ATOM 0 HD1 TYR A 7 28.834 15.223 -11.854 1.00 0.00 H new ATOM 0 HD2 TYR A 7 26.112 16.756 -8.957 1.00 0.00 H new ATOM 0 HE1 TYR A 7 27.066 13.771 -12.748 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.344 15.303 -9.845 1.00 0.00 H new ATOM 0 HH TYR A 7 23.785 13.773 -11.338 1.00 0.00 H new ATOM 172 N THR A 8 31.945 16.616 -8.412 1.00 0.00 N ATOM 173 CA THR A 8 33.167 17.352 -8.110 1.00 0.00 C ATOM 174 C THR A 8 34.390 16.446 -8.201 1.00 0.00 C ATOM 175 O THR A 8 34.275 15.260 -8.510 1.00 0.00 O ATOM 176 CB THR A 8 33.112 17.981 -6.706 1.00 0.00 C ATOM 177 OG1 THR A 8 32.041 17.403 -5.951 1.00 0.00 O ATOM 178 CG2 THR A 8 32.919 19.488 -6.796 1.00 0.00 C ATOM 0 H THR A 8 32.090 15.631 -8.633 1.00 0.00 H new ATOM 0 HA THR A 8 33.249 18.146 -8.852 1.00 0.00 H new ATOM 0 HB THR A 8 34.059 17.780 -6.205 1.00 0.00 H new ATOM 0 HG1 THR A 8 32.014 17.808 -5.059 1.00 0.00 H new ATOM 0 HG21 THR A 8 32.883 19.911 -5.792 1.00 0.00 H new ATOM 0 HG22 THR A 8 33.750 19.929 -7.346 1.00 0.00 H new ATOM 0 HG23 THR A 8 31.985 19.705 -7.315 1.00 0.00 H new ATOM 186 N ARG A 9 35.561 17.013 -7.930 1.00 0.00 N ATOM 187 CA ARG A 9 36.806 16.257 -7.981 1.00 0.00 C ATOM 188 C ARG A 9 37.089 15.583 -6.642 1.00 0.00 C ATOM 189 O ARG A 9 36.577 15.985 -5.597 1.00 0.00 O ATOM 190 CB ARG A 9 37.970 17.174 -8.359 1.00 0.00 C ATOM 191 CG ARG A 9 38.001 18.475 -7.572 1.00 0.00 C ATOM 192 CD ARG A 9 39.365 19.141 -7.651 1.00 0.00 C ATOM 193 NE ARG A 9 39.446 20.325 -6.799 1.00 0.00 N ATOM 194 CZ ARG A 9 40.534 21.078 -6.689 1.00 0.00 C ATOM 195 NH1 ARG A 9 41.628 20.773 -7.373 1.00 0.00 N ATOM 196 NH2 ARG A 9 40.530 22.140 -5.893 1.00 0.00 N ATOM 0 H ARG A 9 35.673 17.994 -7.673 1.00 0.00 H new ATOM 0 HA ARG A 9 36.700 15.484 -8.742 1.00 0.00 H new ATOM 0 HB2 ARG A 9 38.908 16.641 -8.201 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.910 17.404 -9.423 1.00 0.00 H new ATOM 0 HG2 ARG A 9 37.241 19.154 -7.959 1.00 0.00 H new ATOM 0 HG3 ARG A 9 37.751 18.277 -6.530 1.00 0.00 H new ATOM 0 HD2 ARG A 9 40.134 18.428 -7.355 1.00 0.00 H new ATOM 0 HD3 ARG A 9 39.572 19.422 -8.684 1.00 0.00 H new ATOM 0 HE ARG A 9 38.621 20.588 -6.259 1.00 0.00 H new ATOM 0 HH11 ARG A 9 41.635 19.958 -7.986 1.00 0.00 H new ATOM 0 HH12 ARG A 9 42.462 21.354 -7.286 1.00 0.00 H new ATOM 0 HH21 ARG A 9 39.691 22.378 -5.365 1.00 0.00 H new ATOM 0 HH22 ARG A 9 41.366 22.718 -5.809 1.00 0.00 H new ATOM 210 N PRO A 10 37.924 14.534 -6.671 1.00 0.00 N ATOM 211 CA PRO A 10 38.294 13.783 -5.468 1.00 0.00 C ATOM 212 C PRO A 10 39.186 14.591 -4.532 1.00 0.00 C ATOM 213 O PRO A 10 39.467 14.170 -3.410 1.00 0.00 O ATOM 214 CB PRO A 10 39.056 12.576 -6.023 1.00 0.00 C ATOM 215 CG PRO A 10 39.589 13.037 -7.336 1.00 0.00 C ATOM 216 CD PRO A 10 38.572 14.000 -7.881 1.00 0.00 C ATOM 0 HA PRO A 10 37.422 13.516 -4.870 1.00 0.00 H new ATOM 0 HB2 PRO A 10 39.861 12.273 -5.353 1.00 0.00 H new ATOM 0 HB3 PRO A 10 38.400 11.714 -6.143 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.559 13.520 -7.216 1.00 0.00 H new ATOM 0 HG3 PRO A 10 39.734 12.197 -8.015 1.00 0.00 H new ATOM 0 HD2 PRO A 10 39.041 14.790 -8.468 1.00 0.00 H new ATOM 0 HD3 PRO A 10 37.855 13.501 -8.533 1.00 0.00 H new ATOM 224 N ASN A 11 39.629 15.753 -5.000 1.00 0.00 N ATOM 225 CA ASN A 11 40.490 16.620 -4.204 1.00 0.00 C ATOM 226 C ASN A 11 39.689 17.761 -3.583 1.00 0.00 C ATOM 227 O ASN A 11 40.021 18.934 -3.756 1.00 0.00 O ATOM 228 CB ASN A 11 41.619 17.186 -5.068 1.00 0.00 C ATOM 229 CG ASN A 11 42.220 16.142 -5.989 1.00 0.00 C ATOM 230 OD1 ASN A 11 42.049 16.200 -7.207 1.00 0.00 O ATOM 231 ND2 ASN A 11 42.929 15.180 -5.410 1.00 0.00 N ATOM 0 H ASN A 11 39.406 16.116 -5.927 1.00 0.00 H new ATOM 0 HA ASN A 11 40.921 16.023 -3.401 1.00 0.00 H new ATOM 0 HB2 ASN A 11 41.237 18.015 -5.663 1.00 0.00 H new ATOM 0 HB3 ASN A 11 42.399 17.590 -4.423 1.00 0.00 H new ATOM 0 HD21 ASN A 11 43.358 14.450 -5.979 1.00 0.00 H new ATOM 0 HD22 ASN A 11 43.045 15.171 -4.397 1.00 0.00 H new ATOM 238 N CYS A 12 38.631 17.409 -2.860 1.00 0.00 N ATOM 239 CA CYS A 12 37.781 18.401 -2.213 1.00 0.00 C ATOM 240 C CYS A 12 37.861 18.278 -0.694 1.00 0.00 C ATOM 241 O CYS A 12 37.199 17.442 -0.079 1.00 0.00 O ATOM 242 CB CYS A 12 36.331 18.240 -2.674 1.00 0.00 C ATOM 243 SG CYS A 12 35.733 16.520 -2.656 1.00 0.00 S ATOM 0 H CYS A 12 38.342 16.443 -2.707 1.00 0.00 H new ATOM 0 HA CYS A 12 38.138 19.391 -2.499 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.688 18.844 -2.034 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.236 18.636 -3.685 1.00 0.00 H new ATOM 248 N PRO A 13 38.690 19.131 -0.074 1.00 0.00 N ATOM 249 CA PRO A 13 38.876 19.138 1.380 1.00 0.00 C ATOM 250 C PRO A 13 37.643 19.647 2.119 1.00 0.00 C ATOM 251 O PRO A 13 37.584 19.608 3.348 1.00 0.00 O ATOM 252 CB PRO A 13 40.053 20.095 1.582 1.00 0.00 C ATOM 253 CG PRO A 13 40.021 20.993 0.394 1.00 0.00 C ATOM 254 CD PRO A 13 39.510 20.153 -0.745 1.00 0.00 C ATOM 0 HA PRO A 13 39.051 18.137 1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 13 39.949 20.660 2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 13 40.997 19.554 1.643 1.00 0.00 H new ATOM 0 HG2 PRO A 13 39.371 21.850 0.570 1.00 0.00 H new ATOM 0 HG3 PRO A 13 41.014 21.386 0.175 1.00 0.00 H new ATOM 0 HD2 PRO A 13 38.921 20.743 -1.447 1.00 0.00 H new ATOM 0 HD3 PRO A 13 40.326 19.705 -1.312 1.00 0.00 H new ATOM 262 N TYR A 14 36.660 20.122 1.363 1.00 0.00 N ATOM 263 CA TYR A 14 35.428 20.641 1.947 1.00 0.00 C ATOM 264 C TYR A 14 34.289 19.637 1.795 1.00 0.00 C ATOM 265 O TYR A 14 33.492 19.441 2.713 1.00 0.00 O ATOM 266 CB TYR A 14 35.046 21.967 1.288 1.00 0.00 C ATOM 267 CG TYR A 14 35.033 21.911 -0.223 1.00 0.00 C ATOM 268 CD1 TYR A 14 36.180 22.186 -0.957 1.00 0.00 C ATOM 269 CD2 TYR A 14 33.874 21.585 -0.916 1.00 0.00 C ATOM 270 CE1 TYR A 14 36.174 22.138 -2.338 1.00 0.00 C ATOM 271 CE2 TYR A 14 33.859 21.532 -2.297 1.00 0.00 C ATOM 272 CZ TYR A 14 35.011 21.810 -3.003 1.00 0.00 C ATOM 273 OH TYR A 14 34.999 21.760 -4.378 1.00 0.00 O ATOM 0 H TYR A 14 36.692 20.159 0.344 1.00 0.00 H new ATOM 0 HA TYR A 14 35.601 20.808 3.010 1.00 0.00 H new ATOM 0 HB2 TYR A 14 34.059 22.267 1.641 1.00 0.00 H new ATOM 0 HB3 TYR A 14 35.747 22.738 1.609 1.00 0.00 H new ATOM 0 HD1 TYR A 14 37.093 22.442 -0.439 1.00 0.00 H new ATOM 0 HD2 TYR A 14 32.970 21.369 -0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 14 37.074 22.356 -2.893 1.00 0.00 H new ATOM 0 HE2 TYR A 14 32.950 21.274 -2.821 1.00 0.00 H new ATOM 0 HH TYR A 14 34.103 21.513 -4.689 1.00 0.00 H new ATOM 283 N CYS A 15 34.219 19.003 0.629 1.00 0.00 N ATOM 284 CA CYS A 15 33.179 18.019 0.354 1.00 0.00 C ATOM 285 C CYS A 15 33.171 16.925 1.417 1.00 0.00 C ATOM 286 O CYS A 15 32.158 16.261 1.634 1.00 0.00 O ATOM 287 CB CYS A 15 33.387 17.400 -1.029 1.00 0.00 C ATOM 288 SG CYS A 15 34.654 16.093 -1.077 1.00 0.00 S ATOM 0 H CYS A 15 34.871 19.153 -0.141 1.00 0.00 H new ATOM 0 HA CYS A 15 32.216 18.529 0.375 1.00 0.00 H new ATOM 0 HB2 CYS A 15 32.440 16.986 -1.376 1.00 0.00 H new ATOM 0 HB3 CYS A 15 33.666 18.187 -1.729 1.00 0.00 H new ATOM 293 N LYS A 16 34.309 16.742 2.079 1.00 0.00 N ATOM 294 CA LYS A 16 34.435 15.730 3.121 1.00 0.00 C ATOM 295 C LYS A 16 33.274 15.817 4.107 1.00 0.00 C ATOM 296 O LYS A 16 32.835 14.805 4.653 1.00 0.00 O ATOM 297 CB LYS A 16 35.763 15.896 3.864 1.00 0.00 C ATOM 298 CG LYS A 16 36.924 15.176 3.202 1.00 0.00 C ATOM 299 CD LYS A 16 38.261 15.691 3.708 1.00 0.00 C ATOM 300 CE LYS A 16 39.384 14.708 3.416 1.00 0.00 C ATOM 301 NZ LYS A 16 39.947 14.897 2.051 1.00 0.00 N ATOM 0 H LYS A 16 35.158 17.282 1.912 1.00 0.00 H new ATOM 0 HA LYS A 16 34.412 14.750 2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 16 35.999 16.958 3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 16 35.649 15.524 4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 16 36.848 14.106 3.396 1.00 0.00 H new ATOM 0 HG3 LYS A 16 36.867 15.309 2.122 1.00 0.00 H new ATOM 0 HD2 LYS A 16 38.484 16.649 3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 16 38.201 15.868 4.782 1.00 0.00 H new ATOM 0 HE2 LYS A 16 40.175 14.831 4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 16 39.010 13.689 3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 40.709 14.208 1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 39.198 14.754 1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 40.327 15.861 1.963 1.00 0.00 H new ATOM 315 N ARG A 17 32.781 17.031 4.328 1.00 0.00 N ATOM 316 CA ARG A 17 31.671 17.249 5.247 1.00 0.00 C ATOM 317 C ARG A 17 30.394 16.600 4.721 1.00 0.00 C ATOM 318 O ARG A 17 29.688 15.910 5.457 1.00 0.00 O ATOM 319 CB ARG A 17 31.444 18.746 5.461 1.00 0.00 C ATOM 320 CG ARG A 17 32.625 19.456 6.103 1.00 0.00 C ATOM 321 CD ARG A 17 32.804 20.858 5.543 1.00 0.00 C ATOM 322 NE ARG A 17 33.660 21.682 6.392 1.00 0.00 N ATOM 323 CZ ARG A 17 34.987 21.608 6.390 1.00 0.00 C ATOM 324 NH1 ARG A 17 35.605 20.753 5.587 1.00 0.00 N ATOM 325 NH2 ARG A 17 35.697 22.391 7.192 1.00 0.00 N ATOM 0 H ARG A 17 33.133 17.879 3.883 1.00 0.00 H new ATOM 0 HA ARG A 17 31.926 16.788 6.201 1.00 0.00 H new ATOM 0 HB2 ARG A 17 31.229 19.213 4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 17 30.563 18.885 6.087 1.00 0.00 H new ATOM 0 HG2 ARG A 17 32.476 19.510 7.181 1.00 0.00 H new ATOM 0 HG3 ARG A 17 33.533 18.877 5.936 1.00 0.00 H new ATOM 0 HD2 ARG A 17 33.236 20.797 4.544 1.00 0.00 H new ATOM 0 HD3 ARG A 17 31.829 21.334 5.440 1.00 0.00 H new ATOM 0 HE ARG A 17 33.215 22.351 7.021 1.00 0.00 H new ATOM 0 HH11 ARG A 17 35.062 20.150 4.969 1.00 0.00 H new ATOM 0 HH12 ARG A 17 36.624 20.698 5.587 1.00 0.00 H new ATOM 0 HH21 ARG A 17 35.224 23.050 7.811 1.00 0.00 H new ATOM 0 HH22 ARG A 17 36.715 22.334 7.190 1.00 0.00 H new ATOM 339 N ALA A 18 30.104 16.827 3.444 1.00 0.00 N ATOM 340 CA ALA A 18 28.913 16.263 2.820 1.00 0.00 C ATOM 341 C ALA A 18 28.953 14.739 2.836 1.00 0.00 C ATOM 342 O ALA A 18 28.024 14.089 3.315 1.00 0.00 O ATOM 343 CB ALA A 18 28.773 16.774 1.394 1.00 0.00 C ATOM 0 H ALA A 18 30.677 17.397 2.822 1.00 0.00 H new ATOM 0 HA ALA A 18 28.045 16.583 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 18 27.880 16.345 0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 18 28.689 17.861 1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 18 29.650 16.483 0.815 1.00 0.00 H new ATOM 349 N ARG A 19 30.036 14.175 2.310 1.00 0.00 N ATOM 350 CA ARG A 19 30.196 12.727 2.263 1.00 0.00 C ATOM 351 C ARG A 19 30.173 12.131 3.667 1.00 0.00 C ATOM 352 O ARG A 19 29.648 11.038 3.880 1.00 0.00 O ATOM 353 CB ARG A 19 31.506 12.360 1.563 1.00 0.00 C ATOM 354 CG ARG A 19 32.746 12.716 2.366 1.00 0.00 C ATOM 355 CD ARG A 19 34.018 12.433 1.582 1.00 0.00 C ATOM 356 NE ARG A 19 34.261 11.000 1.433 1.00 0.00 N ATOM 357 CZ ARG A 19 34.662 10.216 2.427 1.00 0.00 C ATOM 358 NH1 ARG A 19 34.864 10.723 3.636 1.00 0.00 N ATOM 359 NH2 ARG A 19 34.862 8.922 2.213 1.00 0.00 N ATOM 0 H ARG A 19 30.815 14.699 1.911 1.00 0.00 H new ATOM 0 HA ARG A 19 29.361 12.313 1.698 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.511 11.289 1.358 1.00 0.00 H new ATOM 0 HB3 ARG A 19 31.549 12.869 0.600 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.713 13.771 2.640 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.755 12.146 3.295 1.00 0.00 H new ATOM 0 HD2 ARG A 19 33.946 12.893 0.596 1.00 0.00 H new ATOM 0 HD3 ARG A 19 34.866 12.894 2.088 1.00 0.00 H new ATOM 0 HE ARG A 19 34.115 10.579 0.516 1.00 0.00 H new ATOM 0 HH11 ARG A 19 34.711 11.717 3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 19 35.172 10.118 4.398 1.00 0.00 H new ATOM 0 HH21 ARG A 19 34.708 8.529 1.285 1.00 0.00 H new ATOM 0 HH22 ARG A 19 35.170 8.320 2.977 1.00 0.00 H new ATOM 373 N ASP A 20 30.745 12.857 4.622 1.00 0.00 N ATOM 374 CA ASP A 20 30.790 12.401 6.006 1.00 0.00 C ATOM 375 C ASP A 20 29.383 12.270 6.581 1.00 0.00 C ATOM 376 O ASP A 20 29.040 11.251 7.183 1.00 0.00 O ATOM 377 CB ASP A 20 31.614 13.368 6.857 1.00 0.00 C ATOM 378 CG ASP A 20 31.561 13.029 8.334 1.00 0.00 C ATOM 379 OD1 ASP A 20 31.596 11.827 8.668 1.00 0.00 O ATOM 380 OD2 ASP A 20 31.483 13.967 9.156 1.00 0.00 O ATOM 0 H ASP A 20 31.184 13.764 4.462 1.00 0.00 H new ATOM 0 HA ASP A 20 31.263 11.419 6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 20 32.651 13.351 6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 20 31.247 14.383 6.707 1.00 0.00 H new ATOM 385 N LEU A 21 28.574 13.306 6.392 1.00 0.00 N ATOM 386 CA LEU A 21 27.204 13.307 6.893 1.00 0.00 C ATOM 387 C LEU A 21 26.398 12.167 6.279 1.00 0.00 C ATOM 388 O LEU A 21 25.694 11.441 6.983 1.00 0.00 O ATOM 389 CB LEU A 21 26.529 14.646 6.587 1.00 0.00 C ATOM 390 CG LEU A 21 25.222 14.924 7.329 1.00 0.00 C ATOM 391 CD1 LEU A 21 25.082 16.409 7.627 1.00 0.00 C ATOM 392 CD2 LEU A 21 24.033 14.426 6.520 1.00 0.00 C ATOM 0 H LEU A 21 28.842 14.156 5.896 1.00 0.00 H new ATOM 0 HA LEU A 21 27.239 13.162 7.973 1.00 0.00 H new ATOM 0 HB2 LEU A 21 27.232 15.446 6.819 1.00 0.00 H new ATOM 0 HB3 LEU A 21 26.333 14.695 5.516 1.00 0.00 H new ATOM 0 HG LEU A 21 25.243 14.385 8.276 1.00 0.00 H new ATOM 0 HD11 LEU A 21 24.146 16.587 8.155 1.00 0.00 H new ATOM 0 HD12 LEU A 21 25.917 16.736 8.247 1.00 0.00 H new ATOM 0 HD13 LEU A 21 25.083 16.969 6.692 1.00 0.00 H new ATOM 0 HD21 LEU A 21 23.111 14.632 7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 21 24.009 14.936 5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 21 24.127 13.352 6.359 1.00 0.00 H new ATOM 404 N LEU A 22 26.508 12.013 4.964 1.00 0.00 N ATOM 405 CA LEU A 22 25.792 10.958 4.255 1.00 0.00 C ATOM 406 C LEU A 22 26.132 9.587 4.830 1.00 0.00 C ATOM 407 O LEU A 22 25.249 8.854 5.276 1.00 0.00 O ATOM 408 CB LEU A 22 26.132 10.998 2.764 1.00 0.00 C ATOM 409 CG LEU A 22 25.318 11.976 1.916 1.00 0.00 C ATOM 410 CD1 LEU A 22 24.835 13.143 2.763 1.00 0.00 C ATOM 411 CD2 LEU A 22 26.144 12.474 0.738 1.00 0.00 C ATOM 0 H LEU A 22 27.086 12.605 4.367 1.00 0.00 H new ATOM 0 HA LEU A 22 24.723 11.129 4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 22 27.188 11.249 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 22 26.000 9.996 2.355 1.00 0.00 H new ATOM 0 HG LEU A 22 24.445 11.452 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 22 24.258 13.828 2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 22 24.207 12.770 3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 22 25.693 13.668 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 22 25.550 13.169 0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 22 27.035 12.982 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 22 26.440 11.628 0.117 1.00 0.00 H new ATOM 423 N ASP A 23 27.416 9.248 4.818 1.00 0.00 N ATOM 424 CA ASP A 23 27.874 7.967 5.341 1.00 0.00 C ATOM 425 C ASP A 23 27.493 7.812 6.810 1.00 0.00 C ATOM 426 O ASP A 23 27.243 6.704 7.285 1.00 0.00 O ATOM 427 CB ASP A 23 29.389 7.837 5.178 1.00 0.00 C ATOM 428 CG ASP A 23 29.958 6.669 5.961 1.00 0.00 C ATOM 429 OD1 ASP A 23 29.388 5.562 5.871 1.00 0.00 O ATOM 430 OD2 ASP A 23 30.972 6.863 6.664 1.00 0.00 O ATOM 0 H ASP A 23 28.159 9.843 4.451 1.00 0.00 H new ATOM 0 HA ASP A 23 27.386 7.175 4.772 1.00 0.00 H new ATOM 0 HB2 ASP A 23 29.629 7.714 4.122 1.00 0.00 H new ATOM 0 HB3 ASP A 23 29.867 8.759 5.508 1.00 0.00 H new ATOM 435 N LYS A 24 27.450 8.930 7.526 1.00 0.00 N ATOM 436 CA LYS A 24 27.100 8.921 8.941 1.00 0.00 C ATOM 437 C LYS A 24 25.639 8.525 9.137 1.00 0.00 C ATOM 438 O LYS A 24 25.305 7.780 10.059 1.00 0.00 O ATOM 439 CB LYS A 24 27.354 10.297 9.560 1.00 0.00 C ATOM 440 CG LYS A 24 27.133 10.339 11.062 1.00 0.00 C ATOM 441 CD LYS A 24 27.981 11.414 11.721 1.00 0.00 C ATOM 442 CE LYS A 24 27.403 11.836 13.063 1.00 0.00 C ATOM 443 NZ LYS A 24 28.306 12.773 13.786 1.00 0.00 N ATOM 0 H LYS A 24 27.654 9.856 7.149 1.00 0.00 H new ATOM 0 HA LYS A 24 27.729 8.184 9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.378 10.600 9.343 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.699 11.027 9.084 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.080 10.527 11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 24 27.375 9.368 11.494 1.00 0.00 H new ATOM 0 HD2 LYS A 24 28.996 11.043 11.862 1.00 0.00 H new ATOM 0 HD3 LYS A 24 28.047 12.281 11.063 1.00 0.00 H new ATOM 0 HE2 LYS A 24 26.435 12.312 12.908 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.229 10.953 13.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 27.876 13.037 14.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 29.222 12.310 13.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.452 13.627 13.211 1.00 0.00 H new ATOM 457 N LYS A 25 24.773 9.028 8.264 1.00 0.00 N ATOM 458 CA LYS A 25 23.348 8.726 8.339 1.00 0.00 C ATOM 459 C LYS A 25 23.075 7.286 7.917 1.00 0.00 C ATOM 460 O LYS A 25 22.152 6.646 8.419 1.00 0.00 O ATOM 461 CB LYS A 25 22.555 9.688 7.452 1.00 0.00 C ATOM 462 CG LYS A 25 22.584 11.127 7.936 1.00 0.00 C ATOM 463 CD LYS A 25 22.036 11.251 9.348 1.00 0.00 C ATOM 464 CE LYS A 25 21.267 12.551 9.535 1.00 0.00 C ATOM 465 NZ LYS A 25 21.369 13.060 10.930 1.00 0.00 N ATOM 0 H LYS A 25 25.033 9.647 7.496 1.00 0.00 H new ATOM 0 HA LYS A 25 23.029 8.850 9.374 1.00 0.00 H new ATOM 0 HB2 LYS A 25 22.954 9.647 6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.519 9.352 7.401 1.00 0.00 H new ATOM 0 HG2 LYS A 25 23.607 11.501 7.908 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.998 11.751 7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 25 21.381 10.406 9.561 1.00 0.00 H new ATOM 0 HD3 LYS A 25 22.857 11.206 10.063 1.00 0.00 H new ATOM 0 HE2 LYS A 25 21.651 13.303 8.845 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.219 12.392 9.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.832 13.946 11.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 20.979 12.354 11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.367 13.236 11.163 1.00 0.00 H new ATOM 479 N GLY A 26 23.885 6.780 6.992 1.00 0.00 N ATOM 480 CA GLY A 26 23.715 5.419 6.520 1.00 0.00 C ATOM 481 C GLY A 26 23.073 5.357 5.148 1.00 0.00 C ATOM 482 O GLY A 26 22.139 4.586 4.926 1.00 0.00 O ATOM 0 H GLY A 26 24.657 7.289 6.561 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.686 4.926 6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.101 4.865 7.230 1.00 0.00 H new ATOM 486 N VAL A 27 23.573 6.173 4.225 1.00 0.00 N ATOM 487 CA VAL A 27 23.042 6.208 2.868 1.00 0.00 C ATOM 488 C VAL A 27 24.135 5.927 1.843 1.00 0.00 C ATOM 489 O VAL A 27 25.311 5.812 2.188 1.00 0.00 O ATOM 490 CB VAL A 27 22.397 7.571 2.553 1.00 0.00 C ATOM 491 CG1 VAL A 27 20.960 7.610 3.052 1.00 0.00 C ATOM 492 CG2 VAL A 27 23.213 8.700 3.164 1.00 0.00 C ATOM 0 H VAL A 27 24.345 6.818 4.393 1.00 0.00 H new ATOM 0 HA VAL A 27 22.281 5.431 2.806 1.00 0.00 H new ATOM 0 HB VAL A 27 22.384 7.706 1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.521 8.580 2.821 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.384 6.825 2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 27 20.945 7.453 4.131 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.743 9.656 2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 27 23.259 8.572 4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 27 24.223 8.683 2.753 1.00 0.00 H new ATOM 502 N LYS A 28 23.739 5.817 0.579 1.00 0.00 N ATOM 503 CA LYS A 28 24.684 5.550 -0.499 1.00 0.00 C ATOM 504 C LYS A 28 24.840 6.771 -1.400 1.00 0.00 C ATOM 505 O LYS A 28 23.917 7.141 -2.126 1.00 0.00 O ATOM 506 CB LYS A 28 24.220 4.349 -1.326 1.00 0.00 C ATOM 507 CG LYS A 28 24.894 3.045 -0.936 1.00 0.00 C ATOM 508 CD LYS A 28 26.260 2.908 -1.586 1.00 0.00 C ATOM 509 CE LYS A 28 27.233 2.159 -0.687 1.00 0.00 C ATOM 510 NZ LYS A 28 28.238 3.071 -0.076 1.00 0.00 N ATOM 0 H LYS A 28 22.769 5.909 0.276 1.00 0.00 H new ATOM 0 HA LYS A 28 25.652 5.323 -0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.141 4.238 -1.216 1.00 0.00 H new ATOM 0 HB3 LYS A 28 24.414 4.548 -2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 28 24.999 2.999 0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 28 24.264 2.206 -1.231 1.00 0.00 H new ATOM 0 HD2 LYS A 28 26.161 2.382 -2.535 1.00 0.00 H new ATOM 0 HD3 LYS A 28 26.658 3.898 -1.810 1.00 0.00 H new ATOM 0 HE2 LYS A 28 26.680 1.648 0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 28 27.745 1.391 -1.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 28.882 2.523 0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 28.784 3.540 -0.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 27.752 3.789 0.498 1.00 0.00 H new ATOM 524 N TYR A 29 26.013 7.392 -1.349 1.00 0.00 N ATOM 525 CA TYR A 29 26.290 8.572 -2.160 1.00 0.00 C ATOM 526 C TYR A 29 27.175 8.219 -3.351 1.00 0.00 C ATOM 527 O TYR A 29 28.130 7.451 -3.225 1.00 0.00 O ATOM 528 CB TYR A 29 26.962 9.653 -1.312 1.00 0.00 C ATOM 529 CG TYR A 29 28.375 9.307 -0.900 1.00 0.00 C ATOM 530 CD1 TYR A 29 29.449 9.562 -1.744 1.00 0.00 C ATOM 531 CD2 TYR A 29 28.637 8.726 0.335 1.00 0.00 C ATOM 532 CE1 TYR A 29 30.741 9.247 -1.372 1.00 0.00 C ATOM 533 CE2 TYR A 29 29.926 8.409 0.716 1.00 0.00 C ATOM 534 CZ TYR A 29 30.975 8.671 -0.141 1.00 0.00 C ATOM 535 OH TYR A 29 32.261 8.357 0.235 1.00 0.00 O ATOM 0 H TYR A 29 26.788 7.098 -0.754 1.00 0.00 H new ATOM 0 HA TYR A 29 25.341 8.954 -2.537 1.00 0.00 H new ATOM 0 HB2 TYR A 29 26.974 10.588 -1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 29 26.364 9.826 -0.418 1.00 0.00 H new ATOM 0 HD1 TYR A 29 29.270 10.015 -2.708 1.00 0.00 H new ATOM 0 HD2 TYR A 29 27.818 8.519 1.008 1.00 0.00 H new ATOM 0 HE1 TYR A 29 31.564 9.451 -2.041 1.00 0.00 H new ATOM 0 HE2 TYR A 29 30.112 7.958 1.680 1.00 0.00 H new ATOM 0 HH TYR A 29 32.252 7.960 1.131 1.00 0.00 H new ATOM 545 N THR A 30 26.853 8.786 -4.509 1.00 0.00 N ATOM 546 CA THR A 30 27.617 8.532 -5.723 1.00 0.00 C ATOM 547 C THR A 30 28.576 9.680 -6.019 1.00 0.00 C ATOM 548 O THR A 30 28.151 10.815 -6.239 1.00 0.00 O ATOM 549 CB THR A 30 26.691 8.326 -6.937 1.00 0.00 C ATOM 550 OG1 THR A 30 25.862 7.176 -6.731 1.00 0.00 O ATOM 551 CG2 THR A 30 27.501 8.151 -8.212 1.00 0.00 C ATOM 0 H THR A 30 26.067 9.425 -4.631 1.00 0.00 H new ATOM 0 HA THR A 30 28.188 7.619 -5.552 1.00 0.00 H new ATOM 0 HB THR A 30 26.064 9.212 -7.042 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.275 7.053 -7.506 1.00 0.00 H new ATOM 0 HG21 THR A 30 26.826 8.007 -9.055 1.00 0.00 H new ATOM 0 HG22 THR A 30 28.109 9.040 -8.382 1.00 0.00 H new ATOM 0 HG23 THR A 30 28.150 7.281 -8.114 1.00 0.00 H new ATOM 559 N ASP A 31 29.869 9.378 -6.025 1.00 0.00 N ATOM 560 CA ASP A 31 30.889 10.385 -6.296 1.00 0.00 C ATOM 561 C ASP A 31 31.141 10.512 -7.795 1.00 0.00 C ATOM 562 O ASP A 31 31.677 9.598 -8.424 1.00 0.00 O ATOM 563 CB ASP A 31 32.190 10.031 -5.575 1.00 0.00 C ATOM 564 CG ASP A 31 32.742 8.685 -6.004 1.00 0.00 C ATOM 565 OD1 ASP A 31 32.174 7.652 -5.592 1.00 0.00 O ATOM 566 OD2 ASP A 31 33.742 8.666 -6.752 1.00 0.00 O ATOM 0 H ASP A 31 30.236 8.444 -5.845 1.00 0.00 H new ATOM 0 HA ASP A 31 30.527 11.343 -5.924 1.00 0.00 H new ATOM 0 HB2 ASP A 31 32.933 10.804 -5.771 1.00 0.00 H new ATOM 0 HB3 ASP A 31 32.015 10.023 -4.499 1.00 0.00 H new ATOM 571 N ILE A 32 30.751 11.648 -8.361 1.00 0.00 N ATOM 572 CA ILE A 32 30.936 11.894 -9.786 1.00 0.00 C ATOM 573 C ILE A 32 32.191 12.721 -10.044 1.00 0.00 C ATOM 574 O ILE A 32 32.328 13.834 -9.535 1.00 0.00 O ATOM 575 CB ILE A 32 29.722 12.622 -10.394 1.00 0.00 C ATOM 576 CG1 ILE A 32 28.432 11.863 -10.074 1.00 0.00 C ATOM 577 CG2 ILE A 32 29.894 12.774 -11.898 1.00 0.00 C ATOM 578 CD1 ILE A 32 28.354 10.501 -10.728 1.00 0.00 C ATOM 0 H ILE A 32 30.305 12.413 -7.855 1.00 0.00 H new ATOM 0 HA ILE A 32 31.042 10.919 -10.262 1.00 0.00 H new ATOM 0 HB ILE A 32 29.655 13.617 -9.953 1.00 0.00 H new ATOM 0 HG12 ILE A 32 28.349 11.744 -8.994 1.00 0.00 H new ATOM 0 HG13 ILE A 32 27.579 12.461 -10.395 1.00 0.00 H new ATOM 0 HG21 ILE A 32 29.028 13.290 -12.313 1.00 0.00 H new ATOM 0 HG22 ILE A 32 30.795 13.352 -12.105 1.00 0.00 H new ATOM 0 HG23 ILE A 32 29.983 11.789 -12.356 1.00 0.00 H new ATOM 0 HD11 ILE A 32 27.414 10.021 -10.457 1.00 0.00 H new ATOM 0 HD12 ILE A 32 28.405 10.614 -11.811 1.00 0.00 H new ATOM 0 HD13 ILE A 32 29.187 9.886 -10.388 1.00 0.00 H new ATOM 590 N ASP A 33 33.103 12.170 -10.837 1.00 0.00 N ATOM 591 CA ASP A 33 34.346 12.858 -11.165 1.00 0.00 C ATOM 592 C ASP A 33 34.065 14.201 -11.831 1.00 0.00 C ATOM 593 O ASP A 33 33.122 14.334 -12.609 1.00 0.00 O ATOM 594 CB ASP A 33 35.207 11.990 -12.084 1.00 0.00 C ATOM 595 CG ASP A 33 35.851 10.831 -11.349 1.00 0.00 C ATOM 596 OD1 ASP A 33 36.443 11.065 -10.274 1.00 0.00 O ATOM 597 OD2 ASP A 33 35.763 9.690 -11.848 1.00 0.00 O ATOM 0 H ASP A 33 33.005 11.249 -11.265 1.00 0.00 H new ATOM 0 HA ASP A 33 34.887 13.039 -10.237 1.00 0.00 H new ATOM 0 HB2 ASP A 33 34.591 11.604 -12.896 1.00 0.00 H new ATOM 0 HB3 ASP A 33 35.984 12.606 -12.538 1.00 0.00 H new ATOM 602 N ALA A 34 34.890 15.195 -11.517 1.00 0.00 N ATOM 603 CA ALA A 34 34.731 16.528 -12.086 1.00 0.00 C ATOM 604 C ALA A 34 34.769 16.484 -13.609 1.00 0.00 C ATOM 605 O ALA A 34 34.291 17.399 -14.279 1.00 0.00 O ATOM 606 CB ALA A 34 35.810 17.460 -11.555 1.00 0.00 C ATOM 0 H ALA A 34 35.675 15.102 -10.872 1.00 0.00 H new ATOM 0 HA ALA A 34 33.756 16.910 -11.785 1.00 0.00 H new ATOM 0 HB1 ALA A 34 35.679 18.452 -11.988 1.00 0.00 H new ATOM 0 HB2 ALA A 34 35.733 17.525 -10.470 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.792 17.072 -11.826 1.00 0.00 H new ATOM 612 N SER A 35 35.342 15.414 -14.151 1.00 0.00 N ATOM 613 CA SER A 35 35.447 15.252 -15.597 1.00 0.00 C ATOM 614 C SER A 35 34.100 15.495 -16.270 1.00 0.00 C ATOM 615 O SER A 35 33.193 14.666 -16.188 1.00 0.00 O ATOM 616 CB SER A 35 35.956 13.850 -15.939 1.00 0.00 C ATOM 617 OG SER A 35 35.255 12.861 -15.205 1.00 0.00 O ATOM 0 H SER A 35 35.741 14.646 -13.611 1.00 0.00 H new ATOM 0 HA SER A 35 36.158 15.989 -15.970 1.00 0.00 H new ATOM 0 HB2 SER A 35 35.838 13.667 -17.007 1.00 0.00 H new ATOM 0 HB3 SER A 35 37.022 13.783 -15.720 1.00 0.00 H new ATOM 0 HG SER A 35 34.293 13.046 -15.243 1.00 0.00 H new ATOM 623 N THR A 36 33.976 16.639 -16.936 1.00 0.00 N ATOM 624 CA THR A 36 32.740 16.993 -17.623 1.00 0.00 C ATOM 625 C THR A 36 32.339 15.916 -18.623 1.00 0.00 C ATOM 626 O THR A 36 31.164 15.779 -18.964 1.00 0.00 O ATOM 627 CB THR A 36 32.874 18.339 -18.361 1.00 0.00 C ATOM 628 OG1 THR A 36 33.967 18.285 -19.283 1.00 0.00 O ATOM 629 CG2 THR A 36 33.090 19.477 -17.375 1.00 0.00 C ATOM 0 H THR A 36 34.717 17.336 -17.014 1.00 0.00 H new ATOM 0 HA THR A 36 31.967 17.081 -16.859 1.00 0.00 H new ATOM 0 HB THR A 36 31.949 18.523 -18.907 1.00 0.00 H new ATOM 0 HG1 THR A 36 34.044 19.144 -19.749 1.00 0.00 H new ATOM 0 HG21 THR A 36 33.182 20.417 -17.919 1.00 0.00 H new ATOM 0 HG22 THR A 36 32.242 19.534 -16.693 1.00 0.00 H new ATOM 0 HG23 THR A 36 34.002 19.297 -16.805 1.00 0.00 H new ATOM 637 N SER A 37 33.321 15.153 -19.090 1.00 0.00 N ATOM 638 CA SER A 37 33.070 14.088 -20.055 1.00 0.00 C ATOM 639 C SER A 37 31.941 13.180 -19.580 1.00 0.00 C ATOM 640 O SER A 37 31.195 12.623 -20.386 1.00 0.00 O ATOM 641 CB SER A 37 34.341 13.266 -20.282 1.00 0.00 C ATOM 642 OG SER A 37 34.031 11.974 -20.775 1.00 0.00 O ATOM 0 H SER A 37 34.299 15.252 -18.816 1.00 0.00 H new ATOM 0 HA SER A 37 32.771 14.548 -20.997 1.00 0.00 H new ATOM 0 HB2 SER A 37 34.990 13.782 -20.989 1.00 0.00 H new ATOM 0 HB3 SER A 37 34.894 13.179 -19.346 1.00 0.00 H new ATOM 0 HG SER A 37 34.859 11.469 -20.913 1.00 0.00 H new ATOM 648 N LEU A 38 31.821 13.034 -18.265 1.00 0.00 N ATOM 649 CA LEU A 38 30.783 12.193 -17.679 1.00 0.00 C ATOM 650 C LEU A 38 29.900 12.998 -16.731 1.00 0.00 C ATOM 651 O LEU A 38 28.717 12.700 -16.565 1.00 0.00 O ATOM 652 CB LEU A 38 31.413 11.016 -16.932 1.00 0.00 C ATOM 653 CG LEU A 38 32.209 10.028 -17.786 1.00 0.00 C ATOM 654 CD1 LEU A 38 32.860 8.969 -16.910 1.00 0.00 C ATOM 655 CD2 LEU A 38 31.310 9.381 -18.830 1.00 0.00 C ATOM 0 H LEU A 38 32.430 13.487 -17.584 1.00 0.00 H new ATOM 0 HA LEU A 38 30.161 11.810 -18.488 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.073 11.413 -16.160 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.620 10.468 -16.423 1.00 0.00 H new ATOM 0 HG LEU A 38 32.997 10.576 -18.303 1.00 0.00 H new ATOM 0 HD11 LEU A 38 33.422 8.275 -17.535 1.00 0.00 H new ATOM 0 HD12 LEU A 38 33.536 9.448 -16.201 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.090 8.424 -16.365 1.00 0.00 H new ATOM 0 HD21 LEU A 38 31.893 8.681 -19.429 1.00 0.00 H new ATOM 0 HD22 LEU A 38 30.501 8.847 -18.332 1.00 0.00 H new ATOM 0 HD23 LEU A 38 30.892 10.151 -19.478 1.00 0.00 H new ATOM 667 N ARG A 39 30.483 14.020 -16.113 1.00 0.00 N ATOM 668 CA ARG A 39 29.750 14.869 -15.182 1.00 0.00 C ATOM 669 C ARG A 39 28.729 15.730 -15.920 1.00 0.00 C ATOM 670 O ARG A 39 27.587 15.866 -15.484 1.00 0.00 O ATOM 671 CB ARG A 39 30.717 15.761 -14.401 1.00 0.00 C ATOM 672 CG ARG A 39 30.025 16.841 -13.586 1.00 0.00 C ATOM 673 CD ARG A 39 29.985 18.164 -14.334 1.00 0.00 C ATOM 674 NE ARG A 39 31.317 18.741 -14.498 1.00 0.00 N ATOM 675 CZ ARG A 39 31.954 19.403 -13.539 1.00 0.00 C ATOM 676 NH1 ARG A 39 31.384 19.571 -12.354 1.00 0.00 N ATOM 677 NH2 ARG A 39 33.164 19.899 -13.764 1.00 0.00 N ATOM 0 H ARG A 39 31.461 14.280 -16.240 1.00 0.00 H new ATOM 0 HA ARG A 39 29.218 14.224 -14.483 1.00 0.00 H new ATOM 0 HB2 ARG A 39 31.313 15.139 -13.733 1.00 0.00 H new ATOM 0 HB3 ARG A 39 31.409 16.232 -15.100 1.00 0.00 H new ATOM 0 HG2 ARG A 39 29.009 16.525 -13.349 1.00 0.00 H new ATOM 0 HG3 ARG A 39 30.547 16.973 -12.638 1.00 0.00 H new ATOM 0 HD2 ARG A 39 29.532 18.013 -15.314 1.00 0.00 H new ATOM 0 HD3 ARG A 39 29.350 18.866 -13.794 1.00 0.00 H new ATOM 0 HE ARG A 39 31.783 18.629 -15.398 1.00 0.00 H new ATOM 0 HH11 ARG A 39 30.454 19.191 -12.177 1.00 0.00 H new ATOM 0 HH12 ARG A 39 31.875 20.080 -11.619 1.00 0.00 H new ATOM 0 HH21 ARG A 39 33.606 19.772 -14.674 1.00 0.00 H new ATOM 0 HH22 ARG A 39 33.652 20.407 -13.027 1.00 0.00 H new ATOM 691 N GLN A 40 29.151 16.310 -17.039 1.00 0.00 N ATOM 692 CA GLN A 40 28.274 17.159 -17.837 1.00 0.00 C ATOM 693 C GLN A 40 27.054 16.382 -18.317 1.00 0.00 C ATOM 694 O GLN A 40 25.925 16.864 -18.229 1.00 0.00 O ATOM 695 CB GLN A 40 29.034 17.730 -19.035 1.00 0.00 C ATOM 696 CG GLN A 40 28.251 18.778 -19.809 1.00 0.00 C ATOM 697 CD GLN A 40 28.933 19.180 -21.102 1.00 0.00 C ATOM 698 OE1 GLN A 40 29.767 20.086 -21.121 1.00 0.00 O ATOM 699 NE2 GLN A 40 28.583 18.506 -22.191 1.00 0.00 N ATOM 0 H GLN A 40 30.094 16.208 -17.413 1.00 0.00 H new ATOM 0 HA GLN A 40 27.934 17.981 -17.207 1.00 0.00 H new ATOM 0 HB2 GLN A 40 29.968 18.171 -18.686 1.00 0.00 H new ATOM 0 HB3 GLN A 40 29.299 16.915 -19.709 1.00 0.00 H new ATOM 0 HG2 GLN A 40 27.257 18.391 -20.032 1.00 0.00 H new ATOM 0 HG3 GLN A 40 28.117 19.661 -19.184 1.00 0.00 H new ATOM 0 HE21 GLN A 40 27.887 17.763 -22.129 1.00 0.00 H new ATOM 0 HE22 GLN A 40 29.010 18.732 -23.090 1.00 0.00 H new ATOM 708 N GLU A 41 27.288 15.176 -18.826 1.00 0.00 N ATOM 709 CA GLU A 41 26.207 14.333 -19.322 1.00 0.00 C ATOM 710 C GLU A 41 25.315 13.863 -18.176 1.00 0.00 C ATOM 711 O GLU A 41 24.090 13.845 -18.296 1.00 0.00 O ATOM 712 CB GLU A 41 26.774 13.125 -20.070 1.00 0.00 C ATOM 713 CG GLU A 41 27.710 12.273 -19.229 1.00 0.00 C ATOM 714 CD GLU A 41 28.338 11.142 -20.020 1.00 0.00 C ATOM 715 OE1 GLU A 41 28.750 11.383 -21.175 1.00 0.00 O ATOM 716 OE2 GLU A 41 28.418 10.016 -19.486 1.00 0.00 O ATOM 0 H GLU A 41 28.217 14.761 -18.905 1.00 0.00 H new ATOM 0 HA GLU A 41 25.604 14.926 -20.010 1.00 0.00 H new ATOM 0 HB2 GLU A 41 25.949 12.505 -20.421 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.309 13.474 -20.954 1.00 0.00 H new ATOM 0 HG2 GLU A 41 28.497 12.904 -18.816 1.00 0.00 H new ATOM 0 HG3 GLU A 41 27.158 11.859 -18.385 1.00 0.00 H new ATOM 723 N MET A 42 25.939 13.482 -17.066 1.00 0.00 N ATOM 724 CA MET A 42 25.202 13.013 -15.898 1.00 0.00 C ATOM 725 C MET A 42 24.320 14.120 -15.331 1.00 0.00 C ATOM 726 O MET A 42 23.119 13.931 -15.134 1.00 0.00 O ATOM 727 CB MET A 42 26.171 12.515 -14.824 1.00 0.00 C ATOM 728 CG MET A 42 26.750 11.140 -15.117 1.00 0.00 C ATOM 729 SD MET A 42 26.088 9.862 -14.031 1.00 0.00 S ATOM 730 CE MET A 42 27.581 8.965 -13.615 1.00 0.00 C ATOM 0 H MET A 42 26.952 13.489 -16.951 1.00 0.00 H new ATOM 0 HA MET A 42 24.562 12.188 -16.210 1.00 0.00 H new ATOM 0 HB2 MET A 42 26.988 13.230 -14.724 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.654 12.485 -13.865 1.00 0.00 H new ATOM 0 HG2 MET A 42 26.540 10.875 -16.153 1.00 0.00 H new ATOM 0 HG3 MET A 42 27.834 11.176 -15.010 1.00 0.00 H new ATOM 0 HE1 MET A 42 27.517 8.609 -12.587 1.00 0.00 H new ATOM 0 HE2 MET A 42 27.694 8.114 -14.287 1.00 0.00 H new ATOM 0 HE3 MET A 42 28.442 9.625 -13.717 1.00 0.00 H new ATOM 740 N VAL A 43 24.922 15.275 -15.069 1.00 0.00 N ATOM 741 CA VAL A 43 24.190 16.413 -14.525 1.00 0.00 C ATOM 742 C VAL A 43 23.134 16.908 -15.506 1.00 0.00 C ATOM 743 O VAL A 43 22.062 17.358 -15.104 1.00 0.00 O ATOM 744 CB VAL A 43 25.139 17.576 -14.178 1.00 0.00 C ATOM 745 CG1 VAL A 43 25.653 18.241 -15.445 1.00 0.00 C ATOM 746 CG2 VAL A 43 24.437 18.586 -13.283 1.00 0.00 C ATOM 0 H VAL A 43 25.915 15.448 -15.225 1.00 0.00 H new ATOM 0 HA VAL A 43 23.701 16.068 -13.614 1.00 0.00 H new ATOM 0 HB VAL A 43 25.994 17.175 -13.634 1.00 0.00 H new ATOM 0 HG11 VAL A 43 26.322 19.060 -15.180 1.00 0.00 H new ATOM 0 HG12 VAL A 43 26.194 17.510 -16.046 1.00 0.00 H new ATOM 0 HG13 VAL A 43 24.812 18.630 -16.019 1.00 0.00 H new ATOM 0 HG21 VAL A 43 25.121 19.401 -13.047 1.00 0.00 H new ATOM 0 HG22 VAL A 43 23.563 18.984 -13.799 1.00 0.00 H new ATOM 0 HG23 VAL A 43 24.123 18.098 -12.360 1.00 0.00 H new ATOM 756 N GLN A 44 23.445 16.820 -16.796 1.00 0.00 N ATOM 757 CA GLN A 44 22.522 17.259 -17.835 1.00 0.00 C ATOM 758 C GLN A 44 21.240 16.434 -17.809 1.00 0.00 C ATOM 759 O GLN A 44 20.137 16.983 -17.807 1.00 0.00 O ATOM 760 CB GLN A 44 23.182 17.153 -19.211 1.00 0.00 C ATOM 761 CG GLN A 44 23.919 18.415 -19.631 1.00 0.00 C ATOM 762 CD GLN A 44 24.825 18.192 -20.826 1.00 0.00 C ATOM 763 OE1 GLN A 44 25.211 17.061 -21.124 1.00 0.00 O ATOM 764 NE2 GLN A 44 25.169 19.271 -21.518 1.00 0.00 N ATOM 0 H GLN A 44 24.328 16.449 -17.146 1.00 0.00 H new ATOM 0 HA GLN A 44 22.266 18.301 -17.641 1.00 0.00 H new ATOM 0 HB2 GLN A 44 23.883 16.318 -19.205 1.00 0.00 H new ATOM 0 HB3 GLN A 44 22.418 16.924 -19.954 1.00 0.00 H new ATOM 0 HG2 GLN A 44 23.193 19.192 -19.870 1.00 0.00 H new ATOM 0 HG3 GLN A 44 24.513 18.780 -18.793 1.00 0.00 H new ATOM 0 HE21 GLN A 44 24.826 20.189 -21.235 1.00 0.00 H new ATOM 0 HE22 GLN A 44 25.776 19.182 -22.333 1.00 0.00 H new ATOM 773 N ARG A 45 21.391 15.114 -17.789 1.00 0.00 N ATOM 774 CA ARG A 45 20.245 14.214 -17.764 1.00 0.00 C ATOM 775 C ARG A 45 19.699 14.068 -16.347 1.00 0.00 C ATOM 776 O ARG A 45 18.617 13.518 -16.142 1.00 0.00 O ATOM 777 CB ARG A 45 20.636 12.841 -18.315 1.00 0.00 C ATOM 778 CG ARG A 45 19.445 11.968 -18.676 1.00 0.00 C ATOM 779 CD ARG A 45 18.713 12.501 -19.898 1.00 0.00 C ATOM 780 NE ARG A 45 17.644 11.605 -20.330 1.00 0.00 N ATOM 781 CZ ARG A 45 17.020 11.715 -21.497 1.00 0.00 C ATOM 782 NH1 ARG A 45 17.357 12.677 -22.345 1.00 0.00 N ATOM 783 NH2 ARG A 45 16.057 10.861 -21.819 1.00 0.00 N ATOM 0 H ARG A 45 22.296 14.644 -17.790 1.00 0.00 H new ATOM 0 HA ARG A 45 19.465 14.642 -18.393 1.00 0.00 H new ATOM 0 HB2 ARG A 45 21.257 12.978 -19.200 1.00 0.00 H new ATOM 0 HB3 ARG A 45 21.245 12.322 -17.575 1.00 0.00 H new ATOM 0 HG2 ARG A 45 19.784 10.950 -18.869 1.00 0.00 H new ATOM 0 HG3 ARG A 45 18.758 11.921 -17.831 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.294 13.481 -19.671 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.422 12.639 -20.714 1.00 0.00 H new ATOM 0 HE ARG A 45 17.361 10.854 -19.701 1.00 0.00 H new ATOM 0 HH11 ARG A 45 18.097 13.335 -22.102 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.876 12.759 -23.241 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.795 10.119 -21.170 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.578 10.946 -22.716 1.00 0.00 H new ATOM 797 N ALA A 46 20.454 14.565 -15.373 1.00 0.00 N ATOM 798 CA ALA A 46 20.045 14.491 -13.976 1.00 0.00 C ATOM 799 C ALA A 46 19.020 15.571 -13.647 1.00 0.00 C ATOM 800 O ALA A 46 18.035 15.315 -12.955 1.00 0.00 O ATOM 801 CB ALA A 46 21.257 14.615 -13.064 1.00 0.00 C ATOM 0 H ALA A 46 21.352 15.023 -15.526 1.00 0.00 H new ATOM 0 HA ALA A 46 19.578 13.520 -13.810 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.937 14.558 -12.024 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.955 13.804 -13.274 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.749 15.572 -13.240 1.00 0.00 H new ATOM 807 N ASN A 47 19.259 16.780 -14.146 1.00 0.00 N ATOM 808 CA ASN A 47 18.357 17.899 -13.904 1.00 0.00 C ATOM 809 C ASN A 47 17.679 18.342 -15.197 1.00 0.00 C ATOM 810 O ASN A 47 16.500 18.695 -15.203 1.00 0.00 O ATOM 811 CB ASN A 47 19.121 19.073 -13.287 1.00 0.00 C ATOM 812 CG ASN A 47 19.668 20.021 -14.337 1.00 0.00 C ATOM 813 OD1 ASN A 47 18.970 20.926 -14.796 1.00 0.00 O ATOM 814 ND2 ASN A 47 20.922 19.818 -14.721 1.00 0.00 N ATOM 0 H ASN A 47 20.070 17.009 -14.720 1.00 0.00 H new ATOM 0 HA ASN A 47 17.587 17.568 -13.207 1.00 0.00 H new ATOM 0 HB2 ASN A 47 18.460 19.621 -12.616 1.00 0.00 H new ATOM 0 HB3 ASN A 47 19.943 18.691 -12.683 1.00 0.00 H new ATOM 0 HD21 ASN A 47 21.345 20.425 -15.424 1.00 0.00 H new ATOM 0 HD22 ASN A 47 21.463 19.055 -14.313 1.00 0.00 H new ATOM 821 N GLY A 48 18.433 18.319 -16.292 1.00 0.00 N ATOM 822 CA GLY A 48 17.889 18.720 -17.576 1.00 0.00 C ATOM 823 C GLY A 48 18.872 19.531 -18.395 1.00 0.00 C ATOM 824 O GLY A 48 18.911 19.419 -19.620 1.00 0.00 O ATOM 0 H GLY A 48 19.411 18.030 -16.313 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.599 17.832 -18.137 1.00 0.00 H new ATOM 0 HA3 GLY A 48 16.984 19.306 -17.416 1.00 0.00 H new ATOM 828 N ARG A 49 19.668 20.352 -17.718 1.00 0.00 N ATOM 829 CA ARG A 49 20.655 21.188 -18.391 1.00 0.00 C ATOM 830 C ARG A 49 21.593 21.843 -17.381 1.00 0.00 C ATOM 831 O ARG A 49 21.176 22.688 -16.589 1.00 0.00 O ATOM 832 CB ARG A 49 19.958 22.263 -19.228 1.00 0.00 C ATOM 833 CG ARG A 49 20.903 23.329 -19.759 1.00 0.00 C ATOM 834 CD ARG A 49 20.291 24.080 -20.932 1.00 0.00 C ATOM 835 NE ARG A 49 21.288 24.419 -21.944 1.00 0.00 N ATOM 836 CZ ARG A 49 22.162 25.411 -21.812 1.00 0.00 C ATOM 837 NH1 ARG A 49 22.162 26.157 -20.716 1.00 0.00 N ATOM 838 NH2 ARG A 49 23.038 25.657 -22.778 1.00 0.00 N ATOM 0 H ARG A 49 19.649 20.456 -16.704 1.00 0.00 H new ATOM 0 HA ARG A 49 21.246 20.551 -19.049 1.00 0.00 H new ATOM 0 HB2 ARG A 49 19.452 21.787 -20.068 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.188 22.741 -18.622 1.00 0.00 H new ATOM 0 HG2 ARG A 49 21.146 24.032 -18.962 1.00 0.00 H new ATOM 0 HG3 ARG A 49 21.839 22.865 -20.071 1.00 0.00 H new ATOM 0 HD2 ARG A 49 19.508 23.471 -21.384 1.00 0.00 H new ATOM 0 HD3 ARG A 49 19.816 24.992 -20.571 1.00 0.00 H new ATOM 0 HE ARG A 49 21.315 23.864 -22.799 1.00 0.00 H new ATOM 0 HH11 ARG A 49 21.490 25.970 -19.972 1.00 0.00 H new ATOM 0 HH12 ARG A 49 22.834 26.918 -20.617 1.00 0.00 H new ATOM 0 HH21 ARG A 49 23.040 25.084 -23.622 1.00 0.00 H new ATOM 0 HH22 ARG A 49 23.709 26.419 -22.676 1.00 0.00 H new ATOM 852 N ASN A 50 22.861 21.447 -17.416 1.00 0.00 N ATOM 853 CA ASN A 50 23.858 21.995 -16.503 1.00 0.00 C ATOM 854 C ASN A 50 25.251 21.474 -16.843 1.00 0.00 C ATOM 855 O ASN A 50 25.401 20.386 -17.400 1.00 0.00 O ATOM 856 CB ASN A 50 23.507 21.638 -15.057 1.00 0.00 C ATOM 857 CG ASN A 50 24.357 22.392 -14.053 1.00 0.00 C ATOM 858 OD1 ASN A 50 24.969 23.408 -14.380 1.00 0.00 O ATOM 859 ND2 ASN A 50 24.398 21.895 -12.822 1.00 0.00 N ATOM 0 H ASN A 50 23.223 20.749 -18.066 1.00 0.00 H new ATOM 0 HA ASN A 50 23.858 23.079 -16.613 1.00 0.00 H new ATOM 0 HB2 ASN A 50 22.455 21.858 -14.876 1.00 0.00 H new ATOM 0 HB3 ASN A 50 23.638 20.566 -14.908 1.00 0.00 H new ATOM 0 HD21 ASN A 50 24.953 22.359 -12.103 1.00 0.00 H new ATOM 0 HD22 ASN A 50 23.874 21.050 -12.596 1.00 0.00 H new ATOM 866 N THR A 51 26.269 22.258 -16.503 1.00 0.00 N ATOM 867 CA THR A 51 27.650 21.878 -16.772 1.00 0.00 C ATOM 868 C THR A 51 28.603 22.526 -15.775 1.00 0.00 C ATOM 869 O THR A 51 29.570 23.183 -16.161 1.00 0.00 O ATOM 870 CB THR A 51 28.074 22.272 -18.200 1.00 0.00 C ATOM 871 OG1 THR A 51 29.445 21.923 -18.418 1.00 0.00 O ATOM 872 CG2 THR A 51 27.881 23.763 -18.429 1.00 0.00 C ATOM 0 H THR A 51 26.163 23.161 -16.040 1.00 0.00 H new ATOM 0 HA THR A 51 27.704 20.794 -16.671 1.00 0.00 H new ATOM 0 HB THR A 51 27.446 21.728 -18.905 1.00 0.00 H new ATOM 0 HG1 THR A 51 30.009 22.388 -17.765 1.00 0.00 H new ATOM 0 HG21 THR A 51 28.187 24.018 -19.444 1.00 0.00 H new ATOM 0 HG22 THR A 51 26.831 24.019 -18.292 1.00 0.00 H new ATOM 0 HG23 THR A 51 28.487 24.322 -17.716 1.00 0.00 H new ATOM 880 N PHE A 52 28.326 22.335 -14.489 1.00 0.00 N ATOM 881 CA PHE A 52 29.160 22.901 -13.435 1.00 0.00 C ATOM 882 C PHE A 52 29.132 22.022 -12.188 1.00 0.00 C ATOM 883 O PHE A 52 28.210 21.235 -11.973 1.00 0.00 O ATOM 884 CB PHE A 52 28.689 24.315 -13.087 1.00 0.00 C ATOM 885 CG PHE A 52 29.170 25.362 -14.051 1.00 0.00 C ATOM 886 CD1 PHE A 52 28.433 25.670 -15.183 1.00 0.00 C ATOM 887 CD2 PHE A 52 30.358 26.037 -13.825 1.00 0.00 C ATOM 888 CE1 PHE A 52 28.874 26.632 -16.072 1.00 0.00 C ATOM 889 CE2 PHE A 52 30.803 27.000 -14.710 1.00 0.00 C ATOM 890 CZ PHE A 52 30.060 27.299 -15.835 1.00 0.00 C ATOM 0 H PHE A 52 27.531 21.793 -14.152 1.00 0.00 H new ATOM 0 HA PHE A 52 30.185 22.947 -13.802 1.00 0.00 H new ATOM 0 HB2 PHE A 52 27.599 24.330 -13.061 1.00 0.00 H new ATOM 0 HB3 PHE A 52 29.036 24.568 -12.085 1.00 0.00 H new ATOM 0 HD1 PHE A 52 27.504 25.153 -15.373 1.00 0.00 H new ATOM 0 HD2 PHE A 52 30.943 25.808 -12.947 1.00 0.00 H new ATOM 0 HE1 PHE A 52 28.291 26.862 -16.952 1.00 0.00 H new ATOM 0 HE2 PHE A 52 31.731 27.519 -14.522 1.00 0.00 H new ATOM 0 HZ PHE A 52 30.405 28.052 -16.528 1.00 0.00 H new ATOM 900 N PRO A 53 30.167 22.158 -11.346 1.00 0.00 N ATOM 901 CA PRO A 53 30.285 21.385 -10.106 1.00 0.00 C ATOM 902 C PRO A 53 29.254 21.802 -9.062 1.00 0.00 C ATOM 903 O PRO A 53 28.970 22.988 -8.897 1.00 0.00 O ATOM 904 CB PRO A 53 31.700 21.709 -9.619 1.00 0.00 C ATOM 905 CG PRO A 53 32.008 23.041 -10.212 1.00 0.00 C ATOM 906 CD PRO A 53 31.301 23.078 -11.538 1.00 0.00 C ATOM 0 HA PRO A 53 30.109 20.322 -10.270 1.00 0.00 H new ATOM 0 HB2 PRO A 53 31.747 21.740 -8.530 1.00 0.00 H new ATOM 0 HB3 PRO A 53 32.415 20.954 -9.948 1.00 0.00 H new ATOM 0 HG2 PRO A 53 31.663 23.846 -9.563 1.00 0.00 H new ATOM 0 HG3 PRO A 53 33.083 23.172 -10.339 1.00 0.00 H new ATOM 0 HD2 PRO A 53 30.964 24.085 -11.786 1.00 0.00 H new ATOM 0 HD3 PRO A 53 31.951 22.751 -12.349 1.00 0.00 H new ATOM 914 N GLN A 54 28.698 20.820 -8.360 1.00 0.00 N ATOM 915 CA GLN A 54 27.699 21.086 -7.333 1.00 0.00 C ATOM 916 C GLN A 54 27.258 19.794 -6.654 1.00 0.00 C ATOM 917 O GLN A 54 27.670 18.703 -7.048 1.00 0.00 O ATOM 918 CB GLN A 54 26.488 21.795 -7.941 1.00 0.00 C ATOM 919 CG GLN A 54 26.076 21.242 -9.296 1.00 0.00 C ATOM 920 CD GLN A 54 25.766 19.759 -9.251 1.00 0.00 C ATOM 921 OE1 GLN A 54 24.882 19.366 -8.341 1.00 0.00 O flip ATOM 922 NE2 GLN A 54 26.314 18.975 -10.026 1.00 0.00 N flip ATOM 0 H GLN A 54 28.923 19.833 -8.484 1.00 0.00 H new ATOM 0 HA GLN A 54 28.151 21.734 -6.582 1.00 0.00 H new ATOM 0 HB2 GLN A 54 25.646 21.713 -7.253 1.00 0.00 H new ATOM 0 HB3 GLN A 54 26.713 22.857 -8.044 1.00 0.00 H new ATOM 0 HG2 GLN A 54 25.199 21.782 -9.653 1.00 0.00 H new ATOM 0 HG3 GLN A 54 26.875 21.421 -10.015 1.00 0.00 H new ATOM 0 HE21 GLN A 54 26.987 19.321 -10.710 1.00 0.00 H new ATOM 0 HE22 GLN A 54 26.095 17.980 -9.984 1.00 0.00 H new ATOM 931 N ILE A 55 26.420 19.925 -5.631 1.00 0.00 N ATOM 932 CA ILE A 55 25.923 18.767 -4.899 1.00 0.00 C ATOM 933 C ILE A 55 24.491 18.432 -5.303 1.00 0.00 C ATOM 934 O ILE A 55 23.565 19.197 -5.036 1.00 0.00 O ATOM 935 CB ILE A 55 25.973 19.000 -3.377 1.00 0.00 C ATOM 936 CG1 ILE A 55 27.415 19.239 -2.923 1.00 0.00 C ATOM 937 CG2 ILE A 55 25.370 17.814 -2.639 1.00 0.00 C ATOM 938 CD1 ILE A 55 27.861 20.678 -3.061 1.00 0.00 C ATOM 0 H ILE A 55 26.071 20.821 -5.291 1.00 0.00 H new ATOM 0 HA ILE A 55 26.574 17.931 -5.153 1.00 0.00 H new ATOM 0 HB ILE A 55 25.385 19.887 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.515 18.934 -1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 55 28.081 18.603 -3.506 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.413 17.994 -1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.332 17.685 -2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.933 16.912 -2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.892 20.774 -2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.794 20.981 -4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 55 27.219 21.318 -2.456 1.00 0.00 H new ATOM 950 N PHE A 56 24.318 17.283 -5.948 1.00 0.00 N ATOM 951 CA PHE A 56 22.998 16.847 -6.390 1.00 0.00 C ATOM 952 C PHE A 56 22.365 15.909 -5.366 1.00 0.00 C ATOM 953 O PHE A 56 23.044 15.068 -4.775 1.00 0.00 O ATOM 954 CB PHE A 56 23.097 16.146 -7.746 1.00 0.00 C ATOM 955 CG PHE A 56 22.015 16.546 -8.708 1.00 0.00 C ATOM 956 CD1 PHE A 56 20.689 16.244 -8.443 1.00 0.00 C ATOM 957 CD2 PHE A 56 22.323 17.225 -9.876 1.00 0.00 C ATOM 958 CE1 PHE A 56 19.691 16.610 -9.327 1.00 0.00 C ATOM 959 CE2 PHE A 56 21.329 17.594 -10.763 1.00 0.00 C ATOM 960 CZ PHE A 56 20.011 17.287 -10.487 1.00 0.00 C ATOM 0 H PHE A 56 25.074 16.638 -6.176 1.00 0.00 H new ATOM 0 HA PHE A 56 22.366 17.729 -6.490 1.00 0.00 H new ATOM 0 HB2 PHE A 56 24.067 16.367 -8.190 1.00 0.00 H new ATOM 0 HB3 PHE A 56 23.055 15.068 -7.593 1.00 0.00 H new ATOM 0 HD1 PHE A 56 20.432 15.717 -7.536 1.00 0.00 H new ATOM 0 HD2 PHE A 56 23.352 17.469 -10.096 1.00 0.00 H new ATOM 0 HE1 PHE A 56 18.661 16.366 -9.110 1.00 0.00 H new ATOM 0 HE2 PHE A 56 21.583 18.122 -11.671 1.00 0.00 H new ATOM 0 HZ PHE A 56 19.232 17.576 -11.177 1.00 0.00 H new ATOM 970 N ILE A 57 21.061 16.061 -5.161 1.00 0.00 N ATOM 971 CA ILE A 57 20.336 15.228 -4.209 1.00 0.00 C ATOM 972 C ILE A 57 18.958 14.854 -4.744 1.00 0.00 C ATOM 973 O ILE A 57 18.090 15.711 -4.906 1.00 0.00 O ATOM 974 CB ILE A 57 20.172 15.937 -2.851 1.00 0.00 C ATOM 975 CG1 ILE A 57 19.543 17.318 -3.045 1.00 0.00 C ATOM 976 CG2 ILE A 57 21.517 16.054 -2.150 1.00 0.00 C ATOM 977 CD1 ILE A 57 18.198 17.470 -2.370 1.00 0.00 C ATOM 0 H ILE A 57 20.485 16.753 -5.641 1.00 0.00 H new ATOM 0 HA ILE A 57 20.927 14.323 -4.068 1.00 0.00 H new ATOM 0 HB ILE A 57 19.508 15.342 -2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.223 18.076 -2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.429 17.510 -4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 57 21.385 16.557 -1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 57 21.928 15.058 -1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 57 22.202 16.631 -2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 57 17.812 18.473 -2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.502 16.736 -2.776 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.309 17.311 -1.297 1.00 0.00 H new ATOM 989 N GLY A 58 18.764 13.567 -5.016 1.00 0.00 N ATOM 990 CA GLY A 58 17.488 13.102 -5.529 1.00 0.00 C ATOM 991 C GLY A 58 17.110 13.769 -6.837 1.00 0.00 C ATOM 992 O GLY A 58 17.554 13.351 -7.906 1.00 0.00 O ATOM 0 H GLY A 58 19.467 12.839 -4.890 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.530 12.023 -5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.711 13.294 -4.789 1.00 0.00 H new ATOM 996 N ASP A 59 16.288 14.809 -6.752 1.00 0.00 N ATOM 997 CA ASP A 59 15.849 15.535 -7.938 1.00 0.00 C ATOM 998 C ASP A 59 16.064 17.036 -7.766 1.00 0.00 C ATOM 999 O ASP A 59 15.313 17.847 -8.309 1.00 0.00 O ATOM 1000 CB ASP A 59 14.374 15.248 -8.222 1.00 0.00 C ATOM 1001 CG ASP A 59 14.161 13.884 -8.848 1.00 0.00 C ATOM 1002 OD1 ASP A 59 14.765 13.616 -9.907 1.00 0.00 O ATOM 1003 OD2 ASP A 59 13.388 13.084 -8.279 1.00 0.00 O ATOM 0 H ASP A 59 15.912 15.168 -5.874 1.00 0.00 H new ATOM 0 HA ASP A 59 16.446 15.194 -8.784 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.809 15.310 -7.292 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.979 16.016 -8.887 1.00 0.00 H new ATOM 1008 N TYR A 60 17.092 17.398 -7.008 1.00 0.00 N ATOM 1009 CA TYR A 60 17.404 18.801 -6.761 1.00 0.00 C ATOM 1010 C TYR A 60 18.912 19.025 -6.717 1.00 0.00 C ATOM 1011 O TYR A 60 19.669 18.154 -6.286 1.00 0.00 O ATOM 1012 CB TYR A 60 16.770 19.263 -5.448 1.00 0.00 C ATOM 1013 CG TYR A 60 17.273 20.607 -4.973 1.00 0.00 C ATOM 1014 CD1 TYR A 60 16.830 21.785 -5.563 1.00 0.00 C ATOM 1015 CD2 TYR A 60 18.190 20.700 -3.933 1.00 0.00 C ATOM 1016 CE1 TYR A 60 17.287 23.015 -5.133 1.00 0.00 C ATOM 1017 CE2 TYR A 60 18.652 21.927 -3.496 1.00 0.00 C ATOM 1018 CZ TYR A 60 18.197 23.081 -4.099 1.00 0.00 C ATOM 1019 OH TYR A 60 18.654 24.305 -3.666 1.00 0.00 O ATOM 0 H TYR A 60 17.724 16.739 -6.553 1.00 0.00 H new ATOM 0 HA TYR A 60 16.992 19.388 -7.582 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.689 19.313 -5.574 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.967 18.518 -4.677 1.00 0.00 H new ATOM 0 HD1 TYR A 60 16.116 21.737 -6.372 1.00 0.00 H new ATOM 0 HD2 TYR A 60 18.548 19.798 -3.458 1.00 0.00 H new ATOM 0 HE1 TYR A 60 16.934 23.920 -5.604 1.00 0.00 H new ATOM 0 HE2 TYR A 60 19.365 21.982 -2.687 1.00 0.00 H new ATOM 0 HH TYR A 60 19.289 24.176 -2.931 1.00 0.00 H new ATOM 1029 N HIS A 61 19.343 20.199 -7.167 1.00 0.00 N ATOM 1030 CA HIS A 61 20.762 20.540 -7.178 1.00 0.00 C ATOM 1031 C HIS A 61 21.065 21.637 -6.163 1.00 0.00 C ATOM 1032 O HIS A 61 20.750 22.806 -6.384 1.00 0.00 O ATOM 1033 CB HIS A 61 21.188 20.990 -8.576 1.00 0.00 C ATOM 1034 CG HIS A 61 20.311 22.056 -9.155 1.00 0.00 C ATOM 1035 ND1 HIS A 61 19.084 21.793 -9.727 1.00 0.00 N ATOM 1036 CD2 HIS A 61 20.488 23.395 -9.248 1.00 0.00 C ATOM 1037 CE1 HIS A 61 18.545 22.924 -10.147 1.00 0.00 C ATOM 1038 NE2 HIS A 61 19.377 23.911 -9.868 1.00 0.00 N ATOM 0 H HIS A 61 18.731 20.930 -7.529 1.00 0.00 H new ATOM 0 HA HIS A 61 21.327 19.650 -6.903 1.00 0.00 H new ATOM 0 HB2 HIS A 61 22.213 21.358 -8.534 1.00 0.00 H new ATOM 0 HB3 HIS A 61 21.186 20.128 -9.243 1.00 0.00 H new ATOM 0 HD2 HIS A 61 21.344 23.953 -8.899 1.00 0.00 H new ATOM 0 HE1 HIS A 61 17.587 23.024 -10.635 1.00 0.00 H new ATOM 0 HE2 HIS A 61 19.220 24.896 -10.079 1.00 0.00 H new ATOM 1046 N VAL A 62 21.679 21.252 -5.048 1.00 0.00 N ATOM 1047 CA VAL A 62 22.025 22.203 -3.999 1.00 0.00 C ATOM 1048 C VAL A 62 23.030 23.234 -4.501 1.00 0.00 C ATOM 1049 O VAL A 62 22.685 24.391 -4.734 1.00 0.00 O ATOM 1050 CB VAL A 62 22.611 21.489 -2.766 1.00 0.00 C ATOM 1051 CG1 VAL A 62 23.005 22.501 -1.700 1.00 0.00 C ATOM 1052 CG2 VAL A 62 21.616 20.480 -2.213 1.00 0.00 C ATOM 0 H VAL A 62 21.947 20.288 -4.849 1.00 0.00 H new ATOM 0 HA VAL A 62 21.103 22.709 -3.713 1.00 0.00 H new ATOM 0 HB VAL A 62 23.508 20.951 -3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 62 23.417 21.978 -0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 62 23.755 23.182 -2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 62 22.126 23.069 -1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 62 22.046 19.985 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 62 20.700 20.994 -1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 62 21.388 19.737 -2.977 1.00 0.00 H new ATOM 1062 N GLY A 63 24.278 22.804 -4.665 1.00 0.00 N ATOM 1063 CA GLY A 63 25.315 23.702 -5.139 1.00 0.00 C ATOM 1064 C GLY A 63 26.569 23.640 -4.289 1.00 0.00 C ATOM 1065 O GLY A 63 27.573 23.056 -4.695 1.00 0.00 O ATOM 0 H GLY A 63 24.589 21.851 -4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 63 25.566 23.451 -6.170 1.00 0.00 H new ATOM 0 HA3 GLY A 63 24.933 24.723 -5.144 1.00 0.00 H new ATOM 1069 N GLY A 64 26.511 24.244 -3.106 1.00 0.00 N ATOM 1070 CA GLY A 64 27.658 24.244 -2.217 1.00 0.00 C ATOM 1071 C GLY A 64 27.598 23.128 -1.193 1.00 0.00 C ATOM 1072 O GLY A 64 26.531 22.571 -0.934 1.00 0.00 O ATOM 0 H GLY A 64 25.691 24.733 -2.748 1.00 0.00 H new ATOM 0 HA2 GLY A 64 28.570 24.144 -2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 64 27.715 25.203 -1.702 1.00 0.00 H new ATOM 1076 N CYS A 65 28.746 22.799 -0.611 1.00 0.00 N ATOM 1077 CA CYS A 65 28.821 21.739 0.388 1.00 0.00 C ATOM 1078 C CYS A 65 28.154 22.172 1.690 1.00 0.00 C ATOM 1079 O CYS A 65 27.196 21.548 2.146 1.00 0.00 O ATOM 1080 CB CYS A 65 30.278 21.358 0.649 1.00 0.00 C ATOM 1081 SG CYS A 65 30.495 20.111 1.941 1.00 0.00 S ATOM 0 H CYS A 65 29.638 23.251 -0.814 1.00 0.00 H new ATOM 0 HA CYS A 65 28.290 20.869 0.001 1.00 0.00 H new ATOM 0 HB2 CYS A 65 30.717 20.986 -0.277 1.00 0.00 H new ATOM 0 HB3 CYS A 65 30.833 22.254 0.927 1.00 0.00 H new ATOM 0 HG CYS A 65 30.418 20.678 3.108 1.00 0.00 H new ATOM 1087 N ASP A 66 28.670 23.242 2.285 1.00 0.00 N ATOM 1088 CA ASP A 66 28.125 23.758 3.535 1.00 0.00 C ATOM 1089 C ASP A 66 26.632 24.042 3.402 1.00 0.00 C ATOM 1090 O ASP A 66 25.896 24.019 4.388 1.00 0.00 O ATOM 1091 CB ASP A 66 28.864 25.032 3.951 1.00 0.00 C ATOM 1092 CG ASP A 66 30.360 24.818 4.078 1.00 0.00 C ATOM 1093 OD1 ASP A 66 31.027 24.653 3.035 1.00 0.00 O ATOM 1094 OD2 ASP A 66 30.863 24.818 5.221 1.00 0.00 O ATOM 0 H ASP A 66 29.465 23.769 1.922 1.00 0.00 H new ATOM 0 HA ASP A 66 28.264 22.998 4.304 1.00 0.00 H new ATOM 0 HB2 ASP A 66 28.673 25.815 3.218 1.00 0.00 H new ATOM 0 HB3 ASP A 66 28.468 25.384 4.904 1.00 0.00 H new ATOM 1099 N ASP A 67 26.193 24.310 2.177 1.00 0.00 N ATOM 1100 CA ASP A 67 24.788 24.598 1.915 1.00 0.00 C ATOM 1101 C ASP A 67 23.893 23.505 2.490 1.00 0.00 C ATOM 1102 O ASP A 67 22.940 23.788 3.219 1.00 0.00 O ATOM 1103 CB ASP A 67 24.546 24.734 0.411 1.00 0.00 C ATOM 1104 CG ASP A 67 25.376 25.838 -0.212 1.00 0.00 C ATOM 1105 OD1 ASP A 67 26.135 26.499 0.528 1.00 0.00 O ATOM 1106 OD2 ASP A 67 25.267 26.043 -1.439 1.00 0.00 O ATOM 0 H ASP A 67 26.790 24.334 1.350 1.00 0.00 H new ATOM 0 HA ASP A 67 24.538 25.540 2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 67 24.779 23.788 -0.078 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.489 24.933 0.233 1.00 0.00 H new ATOM 1111 N LEU A 68 24.203 22.257 2.159 1.00 0.00 N ATOM 1112 CA LEU A 68 23.426 21.121 2.642 1.00 0.00 C ATOM 1113 C LEU A 68 23.392 21.093 4.166 1.00 0.00 C ATOM 1114 O LEU A 68 22.380 20.735 4.768 1.00 0.00 O ATOM 1115 CB LEU A 68 24.013 19.813 2.109 1.00 0.00 C ATOM 1116 CG LEU A 68 25.248 19.284 2.840 1.00 0.00 C ATOM 1117 CD1 LEU A 68 24.839 18.374 3.988 1.00 0.00 C ATOM 1118 CD2 LEU A 68 26.166 18.548 1.875 1.00 0.00 C ATOM 0 H LEU A 68 24.988 22.006 1.558 1.00 0.00 H new ATOM 0 HA LEU A 68 22.405 21.229 2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.238 19.048 2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.270 19.955 1.059 1.00 0.00 H new ATOM 0 HG LEU A 68 25.794 20.133 3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 68 25.730 18.007 4.497 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.223 18.932 4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.270 17.530 3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 68 27.039 18.179 2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 68 25.631 17.708 1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.487 19.229 1.087 1.00 0.00 H new ATOM 1130 N TYR A 69 24.504 21.475 4.784 1.00 0.00 N ATOM 1131 CA TYR A 69 24.602 21.493 6.239 1.00 0.00 C ATOM 1132 C TYR A 69 23.706 22.576 6.832 1.00 0.00 C ATOM 1133 O TYR A 69 22.888 22.308 7.711 1.00 0.00 O ATOM 1134 CB TYR A 69 26.052 21.722 6.671 1.00 0.00 C ATOM 1135 CG TYR A 69 26.645 20.563 7.439 1.00 0.00 C ATOM 1136 CD1 TYR A 69 27.088 19.422 6.782 1.00 0.00 C ATOM 1137 CD2 TYR A 69 26.763 20.609 8.823 1.00 0.00 C ATOM 1138 CE1 TYR A 69 27.630 18.361 7.480 1.00 0.00 C ATOM 1139 CE2 TYR A 69 27.305 19.553 9.529 1.00 0.00 C ATOM 1140 CZ TYR A 69 27.737 18.431 8.854 1.00 0.00 C ATOM 1141 OH TYR A 69 28.277 17.376 9.553 1.00 0.00 O ATOM 0 H TYR A 69 25.350 21.776 4.300 1.00 0.00 H new ATOM 0 HA TYR A 69 24.267 20.525 6.612 1.00 0.00 H new ATOM 0 HB2 TYR A 69 26.660 21.910 5.786 1.00 0.00 H new ATOM 0 HB3 TYR A 69 26.101 22.619 7.288 1.00 0.00 H new ATOM 0 HD1 TYR A 69 27.007 19.364 5.707 1.00 0.00 H new ATOM 0 HD2 TYR A 69 26.425 21.486 9.356 1.00 0.00 H new ATOM 0 HE1 TYR A 69 27.968 17.481 6.953 1.00 0.00 H new ATOM 0 HE2 TYR A 69 27.390 19.606 10.604 1.00 0.00 H new ATOM 0 HH TYR A 69 28.281 17.586 10.510 1.00 0.00 H new ATOM 1151 N ALA A 70 23.867 23.802 6.342 1.00 0.00 N ATOM 1152 CA ALA A 70 23.072 24.926 6.821 1.00 0.00 C ATOM 1153 C ALA A 70 21.580 24.634 6.700 1.00 0.00 C ATOM 1154 O ALA A 70 20.832 24.764 7.669 1.00 0.00 O ATOM 1155 CB ALA A 70 23.428 26.189 6.051 1.00 0.00 C ATOM 0 H ALA A 70 24.540 24.041 5.614 1.00 0.00 H new ATOM 0 HA ALA A 70 23.301 25.079 7.876 1.00 0.00 H new ATOM 0 HB1 ALA A 70 22.827 27.021 6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 70 24.485 26.415 6.191 1.00 0.00 H new ATOM 0 HB3 ALA A 70 23.227 26.037 4.990 1.00 0.00 H new ATOM 1161 N LEU A 71 21.154 24.239 5.506 1.00 0.00 N ATOM 1162 CA LEU A 71 19.750 23.929 5.258 1.00 0.00 C ATOM 1163 C LEU A 71 19.269 22.812 6.178 1.00 0.00 C ATOM 1164 O LEU A 71 18.218 22.924 6.809 1.00 0.00 O ATOM 1165 CB LEU A 71 19.547 23.525 3.797 1.00 0.00 C ATOM 1166 CG LEU A 71 19.937 24.570 2.751 1.00 0.00 C ATOM 1167 CD1 LEU A 71 20.022 23.937 1.370 1.00 0.00 C ATOM 1168 CD2 LEU A 71 18.943 25.721 2.751 1.00 0.00 C ATOM 0 H LEU A 71 21.760 24.126 4.694 1.00 0.00 H new ATOM 0 HA LEU A 71 19.163 24.824 5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.123 22.619 3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.497 23.271 3.654 1.00 0.00 H new ATOM 0 HG LEU A 71 20.920 24.965 3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.301 24.696 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 71 20.773 23.147 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.053 23.514 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 71 19.236 26.455 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.948 25.342 2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.932 26.192 3.734 1.00 0.00 H new ATOM 1180 N GLU A 72 20.046 21.736 6.251 1.00 0.00 N ATOM 1181 CA GLU A 72 19.699 20.599 7.096 1.00 0.00 C ATOM 1182 C GLU A 72 19.511 21.037 8.546 1.00 0.00 C ATOM 1183 O GLU A 72 18.671 20.496 9.264 1.00 0.00 O ATOM 1184 CB GLU A 72 20.784 19.523 7.013 1.00 0.00 C ATOM 1185 CG GLU A 72 20.551 18.351 7.951 1.00 0.00 C ATOM 1186 CD GLU A 72 21.663 17.322 7.886 1.00 0.00 C ATOM 1187 OE1 GLU A 72 22.202 17.098 6.782 1.00 0.00 O ATOM 1188 OE2 GLU A 72 21.996 16.742 8.941 1.00 0.00 O ATOM 0 H GLU A 72 20.919 21.628 5.736 1.00 0.00 H new ATOM 0 HA GLU A 72 18.758 20.184 6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.839 19.153 5.989 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.750 19.974 7.241 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.462 18.720 8.973 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.604 17.873 7.701 1.00 0.00 H new ATOM 1195 N ASN A 73 20.300 22.019 8.969 1.00 0.00 N ATOM 1196 CA ASN A 73 20.222 22.529 10.333 1.00 0.00 C ATOM 1197 C ASN A 73 19.120 23.576 10.460 1.00 0.00 C ATOM 1198 O ASN A 73 18.624 23.842 11.555 1.00 0.00 O ATOM 1199 CB ASN A 73 21.565 23.132 10.752 1.00 0.00 C ATOM 1200 CG ASN A 73 21.537 23.679 12.166 1.00 0.00 C ATOM 1201 OD1 ASN A 73 21.267 24.861 12.381 1.00 0.00 O ATOM 1202 ND2 ASN A 73 21.817 22.819 13.138 1.00 0.00 N ATOM 0 H ASN A 73 21.001 22.478 8.387 1.00 0.00 H new ATOM 0 HA ASN A 73 19.984 21.695 10.993 1.00 0.00 H new ATOM 0 HB2 ASN A 73 22.342 22.371 10.675 1.00 0.00 H new ATOM 0 HB3 ASN A 73 21.833 23.932 10.061 1.00 0.00 H new ATOM 0 HD21 ASN A 73 21.814 23.129 14.110 1.00 0.00 H new ATOM 0 HD22 ASN A 73 22.035 21.848 12.913 1.00 0.00 H new ATOM 1209 N LYS A 74 18.740 24.167 9.332 1.00 0.00 N ATOM 1210 CA LYS A 74 17.695 25.184 9.315 1.00 0.00 C ATOM 1211 C LYS A 74 16.311 24.542 9.348 1.00 0.00 C ATOM 1212 O LYS A 74 15.332 25.176 9.739 1.00 0.00 O ATOM 1213 CB LYS A 74 17.831 26.064 8.071 1.00 0.00 C ATOM 1214 CG LYS A 74 18.478 27.410 8.346 1.00 0.00 C ATOM 1215 CD LYS A 74 19.910 27.253 8.829 1.00 0.00 C ATOM 1216 CE LYS A 74 20.417 28.525 9.491 1.00 0.00 C ATOM 1217 NZ LYS A 74 20.357 29.693 8.569 1.00 0.00 N ATOM 0 H LYS A 74 19.140 23.959 8.417 1.00 0.00 H new ATOM 0 HA LYS A 74 17.811 25.803 10.205 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.420 25.533 7.323 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.843 26.226 7.641 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.463 28.014 7.439 1.00 0.00 H new ATOM 0 HG3 LYS A 74 17.897 27.947 9.096 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.968 26.425 9.536 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.553 26.998 7.987 1.00 0.00 H new ATOM 0 HE2 LYS A 74 19.822 28.733 10.380 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.445 28.377 9.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.863 30.496 8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.802 29.443 7.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 19.364 29.956 8.406 1.00 0.00 H new ATOM 1231 N GLY A 75 16.239 23.280 8.937 1.00 0.00 N ATOM 1232 CA GLY A 75 14.971 22.574 8.929 1.00 0.00 C ATOM 1233 C GLY A 75 14.754 21.787 7.652 1.00 0.00 C ATOM 1234 O GLY A 75 13.749 21.091 7.505 1.00 0.00 O ATOM 0 H GLY A 75 17.036 22.734 8.609 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.931 21.896 9.781 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.159 23.290 9.053 1.00 0.00 H new ATOM 1238 N LYS A 76 15.697 21.898 6.723 1.00 0.00 N ATOM 1239 CA LYS A 76 15.605 21.192 5.450 1.00 0.00 C ATOM 1240 C LYS A 76 16.130 19.765 5.580 1.00 0.00 C ATOM 1241 O LYS A 76 16.213 19.032 4.594 1.00 0.00 O ATOM 1242 CB LYS A 76 16.392 21.939 4.371 1.00 0.00 C ATOM 1243 CG LYS A 76 15.958 23.384 4.193 1.00 0.00 C ATOM 1244 CD LYS A 76 14.498 23.482 3.784 1.00 0.00 C ATOM 1245 CE LYS A 76 14.221 24.763 3.012 1.00 0.00 C ATOM 1246 NZ LYS A 76 14.330 25.968 3.880 1.00 0.00 N ATOM 0 H LYS A 76 16.535 22.471 6.828 1.00 0.00 H new ATOM 0 HA LYS A 76 14.555 21.150 5.162 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.452 21.915 4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.279 21.415 3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.113 23.929 5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.581 23.861 3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.232 22.621 3.170 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.867 23.447 4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.925 24.847 2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.222 24.717 2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.134 26.820 3.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.641 25.900 4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.291 26.026 4.274 1.00 0.00 H new ATOM 1260 N LEU A 77 16.481 19.378 6.801 1.00 0.00 N ATOM 1261 CA LEU A 77 16.996 18.038 7.061 1.00 0.00 C ATOM 1262 C LEU A 77 16.063 16.976 6.488 1.00 0.00 C ATOM 1263 O LEU A 77 16.512 15.988 5.907 1.00 0.00 O ATOM 1264 CB LEU A 77 17.173 17.821 8.564 1.00 0.00 C ATOM 1265 CG LEU A 77 17.270 16.366 9.025 1.00 0.00 C ATOM 1266 CD1 LEU A 77 18.395 16.199 10.035 1.00 0.00 C ATOM 1267 CD2 LEU A 77 15.946 15.905 9.618 1.00 0.00 C ATOM 0 H LEU A 77 16.418 19.973 7.627 1.00 0.00 H new ATOM 0 HA LEU A 77 17.965 17.946 6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.075 18.343 8.882 1.00 0.00 H new ATOM 0 HB3 LEU A 77 16.335 18.290 9.080 1.00 0.00 H new ATOM 0 HG LEU A 77 17.493 15.745 8.158 1.00 0.00 H new ATOM 0 HD11 LEU A 77 18.448 15.157 10.351 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.341 16.488 9.577 1.00 0.00 H new ATOM 0 HD13 LEU A 77 18.203 16.832 10.901 1.00 0.00 H new ATOM 0 HD21 LEU A 77 16.033 14.868 9.941 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.693 16.531 10.474 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.162 15.986 8.865 1.00 0.00 H new ATOM 1279 N ASP A 78 14.762 17.187 6.655 1.00 0.00 N ATOM 1280 CA ASP A 78 13.764 16.250 6.152 1.00 0.00 C ATOM 1281 C ASP A 78 13.975 15.978 4.666 1.00 0.00 C ATOM 1282 O ASP A 78 13.967 14.828 4.228 1.00 0.00 O ATOM 1283 CB ASP A 78 12.355 16.795 6.389 1.00 0.00 C ATOM 1284 CG ASP A 78 11.323 15.693 6.523 1.00 0.00 C ATOM 1285 OD1 ASP A 78 11.717 14.508 6.522 1.00 0.00 O ATOM 1286 OD2 ASP A 78 10.121 16.016 6.629 1.00 0.00 O ATOM 0 H ASP A 78 14.374 17.999 7.135 1.00 0.00 H new ATOM 0 HA ASP A 78 13.877 15.311 6.695 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.351 17.404 7.293 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.078 17.450 5.563 1.00 0.00 H new ATOM 1291 N SER A 79 14.161 17.045 3.895 1.00 0.00 N ATOM 1292 CA SER A 79 14.368 16.922 2.457 1.00 0.00 C ATOM 1293 C SER A 79 15.695 16.231 2.156 1.00 0.00 C ATOM 1294 O SER A 79 15.750 15.277 1.378 1.00 0.00 O ATOM 1295 CB SER A 79 14.337 18.301 1.796 1.00 0.00 C ATOM 1296 OG SER A 79 14.520 18.199 0.394 1.00 0.00 O ATOM 0 H SER A 79 14.173 18.004 4.242 1.00 0.00 H new ATOM 0 HA SER A 79 13.561 16.313 2.050 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.385 18.788 2.007 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.118 18.930 2.223 1.00 0.00 H new ATOM 0 HG SER A 79 14.495 19.094 -0.005 1.00 0.00 H new ATOM 1302 N LEU A 80 16.763 16.718 2.778 1.00 0.00 N ATOM 1303 CA LEU A 80 18.091 16.149 2.578 1.00 0.00 C ATOM 1304 C LEU A 80 18.090 14.651 2.866 1.00 0.00 C ATOM 1305 O LEU A 80 18.532 13.850 2.041 1.00 0.00 O ATOM 1306 CB LEU A 80 19.109 16.852 3.478 1.00 0.00 C ATOM 1307 CG LEU A 80 19.869 18.020 2.848 1.00 0.00 C ATOM 1308 CD1 LEU A 80 20.878 17.513 1.829 1.00 0.00 C ATOM 1309 CD2 LEU A 80 18.900 18.998 2.200 1.00 0.00 C ATOM 0 H LEU A 80 16.735 17.506 3.425 1.00 0.00 H new ATOM 0 HA LEU A 80 18.371 16.300 1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.589 17.218 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.835 16.113 3.817 1.00 0.00 H new ATOM 0 HG LEU A 80 20.411 18.543 3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.409 18.358 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.591 16.852 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.358 16.965 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.458 19.823 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.331 18.486 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.216 19.387 2.955 1.00 0.00 H new ATOM 1321 N LEU A 81 17.590 14.279 4.039 1.00 0.00 N ATOM 1322 CA LEU A 81 17.529 12.876 4.434 1.00 0.00 C ATOM 1323 C LEU A 81 16.634 12.082 3.488 1.00 0.00 C ATOM 1324 O LEU A 81 16.945 10.945 3.134 1.00 0.00 O ATOM 1325 CB LEU A 81 17.010 12.753 5.868 1.00 0.00 C ATOM 1326 CG LEU A 81 18.035 12.320 6.917 1.00 0.00 C ATOM 1327 CD1 LEU A 81 18.704 13.535 7.542 1.00 0.00 C ATOM 1328 CD2 LEU A 81 17.374 11.464 7.987 1.00 0.00 C ATOM 0 H LEU A 81 17.221 14.929 4.733 1.00 0.00 H new ATOM 0 HA LEU A 81 18.537 12.465 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.597 13.716 6.168 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.188 12.038 5.876 1.00 0.00 H new ATOM 0 HG LEU A 81 18.801 11.722 6.424 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.430 13.208 8.286 1.00 0.00 H new ATOM 0 HD12 LEU A 81 19.212 14.109 6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 81 17.950 14.159 8.021 1.00 0.00 H new ATOM 0 HD21 LEU A 81 18.118 11.165 8.725 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.587 12.037 8.477 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.942 10.575 7.527 1.00 0.00 H new ATOM 1340 N GLN A 82 15.525 12.690 3.080 1.00 0.00 N ATOM 1341 CA GLN A 82 14.587 12.040 2.174 1.00 0.00 C ATOM 1342 C GLN A 82 15.203 11.860 0.790 1.00 0.00 C ATOM 1343 O GLN A 82 14.812 10.968 0.037 1.00 0.00 O ATOM 1344 CB GLN A 82 13.297 12.856 2.068 1.00 0.00 C ATOM 1345 CG GLN A 82 12.292 12.550 3.168 1.00 0.00 C ATOM 1346 CD GLN A 82 11.089 13.471 3.130 1.00 0.00 C ATOM 1347 OE1 GLN A 82 10.542 13.683 1.939 1.00 0.00 O flip ATOM 1348 NE2 GLN A 82 10.655 13.986 4.161 1.00 0.00 N flip ATOM 0 H GLN A 82 15.254 13.632 3.363 1.00 0.00 H new ATOM 0 HA GLN A 82 14.353 11.056 2.579 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.544 13.917 2.098 1.00 0.00 H new ATOM 0 HB3 GLN A 82 12.834 12.664 1.100 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.957 11.517 3.072 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.782 12.638 4.138 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.107 13.795 5.055 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.844 14.603 4.120 1.00 0.00 H new ATOM 1357 N ASP A 83 16.167 12.712 0.462 1.00 0.00 N ATOM 1358 CA ASP A 83 16.838 12.647 -0.831 1.00 0.00 C ATOM 1359 C ASP A 83 17.986 11.643 -0.797 1.00 0.00 C ATOM 1360 O ASP A 83 18.104 10.789 -1.676 1.00 0.00 O ATOM 1361 CB ASP A 83 17.363 14.028 -1.228 1.00 0.00 C ATOM 1362 CG ASP A 83 16.282 14.908 -1.825 1.00 0.00 C ATOM 1363 OD1 ASP A 83 15.850 14.628 -2.963 1.00 0.00 O ATOM 1364 OD2 ASP A 83 15.868 15.876 -1.153 1.00 0.00 O ATOM 0 H ASP A 83 16.502 13.456 1.074 1.00 0.00 H new ATOM 0 HA ASP A 83 16.112 12.317 -1.573 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.784 14.519 -0.351 1.00 0.00 H new ATOM 0 HB3 ASP A 83 18.173 13.912 -1.949 1.00 0.00 H new ATOM 1369 N VAL A 84 18.832 11.753 0.223 1.00 0.00 N ATOM 1370 CA VAL A 84 19.971 10.855 0.371 1.00 0.00 C ATOM 1371 C VAL A 84 19.515 9.438 0.701 1.00 0.00 C ATOM 1372 O VAL A 84 20.207 8.466 0.399 1.00 0.00 O ATOM 1373 CB VAL A 84 20.930 11.343 1.473 1.00 0.00 C ATOM 1374 CG1 VAL A 84 21.435 12.744 1.160 1.00 0.00 C ATOM 1375 CG2 VAL A 84 20.245 11.306 2.830 1.00 0.00 C ATOM 0 H VAL A 84 18.750 12.455 0.959 1.00 0.00 H new ATOM 0 HA VAL A 84 20.497 10.851 -0.584 1.00 0.00 H new ATOM 0 HB VAL A 84 21.788 10.672 1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.111 13.072 1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.966 12.735 0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.590 13.430 1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.937 11.654 3.597 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.368 11.953 2.813 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.938 10.285 3.055 1.00 0.00 H new ATOM 1385 N HIS A 85 18.345 9.329 1.322 1.00 0.00 N ATOM 1386 CA HIS A 85 17.795 8.030 1.692 1.00 0.00 C ATOM 1387 C HIS A 85 17.769 7.088 0.492 1.00 0.00 C ATOM 1388 O HIS A 85 18.369 6.013 0.521 1.00 0.00 O ATOM 1389 CB HIS A 85 16.383 8.192 2.258 1.00 0.00 C ATOM 1390 CG HIS A 85 15.675 6.892 2.483 1.00 0.00 C ATOM 1391 ND1 HIS A 85 14.334 6.710 2.219 1.00 0.00 N ATOM 1392 CD2 HIS A 85 16.130 5.705 2.948 1.00 0.00 C ATOM 1393 CE1 HIS A 85 13.994 5.468 2.514 1.00 0.00 C ATOM 1394 NE2 HIS A 85 15.066 4.837 2.958 1.00 0.00 N ATOM 0 H HIS A 85 17.760 10.124 1.579 1.00 0.00 H new ATOM 0 HA HIS A 85 18.438 7.597 2.458 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.439 8.734 3.202 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.794 8.803 1.574 1.00 0.00 H new ATOM 0 HD2 HIS A 85 17.141 5.482 3.254 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.007 5.041 2.410 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.098 3.863 3.259 1.00 0.00 H new TER 1402 HIS A 85