USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 744 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 48 GLN : amide:sc= -1.47! C(o=-0.61!,f=-13!) USER MOD Set 1.2: A 53 LYS NZ :NH3+ -132:sc= 0.862 (180deg=-0.0155) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= -0.101 K(o=-0.1,f=-1.1) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 101:sc=-0.00659 USER MOD Single : A 10 SER OG : rot 180:sc= -1.13 USER MOD Single : A 11 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.00449) USER MOD Single : A 12 LYS NZ :NH3+ -126:sc= -0.0226 (180deg=-0.363) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0761 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.559 X(o=-0.56,f=-0.61) USER MOD Single : A 25 SER OG : rot -135:sc= -1.03 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 29 THR OG1 : rot -60:sc= 0.664 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -128:sc= -0.0511 (180deg=-0.465) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -1.24! USER MOD Single : A 68 LYS NZ :NH3+ 150:sc= -0.042 (180deg=-0.43) USER MOD Single : A 69 ASN : amide:sc= -2.63! C(o=-2.6!,f=-4.9!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= 0.0368 K(o=0.037,f=-7.2!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.219 USER MOD Single : A 84 SER OG : rot -158:sc= -4.08! USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -155:sc= -4.4! USER MOD Single : A 88 THR OG1 : rot 121:sc= 0.529 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 87.985 9.657 -7.138 1.00 0.00 N ATOM 2 CA SER A 1 87.413 9.699 -8.516 1.00 0.00 C ATOM 3 C SER A 1 88.241 10.634 -9.402 1.00 0.00 C ATOM 4 O SER A 1 88.814 10.221 -10.392 1.00 0.00 O ATOM 5 CB SER A 1 85.996 10.242 -8.340 1.00 0.00 C ATOM 6 OG SER A 1 85.091 9.156 -8.196 1.00 0.00 O ATOM 0 H1 SER A 1 87.416 9.020 -6.545 1.00 0.00 H new ATOM 0 H2 SER A 1 88.964 9.309 -7.179 1.00 0.00 H new ATOM 0 H3 SER A 1 87.974 10.613 -6.728 1.00 0.00 H new ATOM 0 HA SER A 1 87.417 8.720 -8.996 1.00 0.00 H new ATOM 0 HB2 SER A 1 85.948 10.889 -7.464 1.00 0.00 H new ATOM 0 HB3 SER A 1 85.718 10.850 -9.201 1.00 0.00 H new ATOM 0 HG SER A 1 84.181 9.501 -8.081 1.00 0.00 H new ATOM 14 N HIS A 2 88.308 11.890 -9.056 1.00 0.00 N ATOM 15 CA HIS A 2 89.098 12.849 -9.880 1.00 0.00 C ATOM 16 C HIS A 2 90.384 13.242 -9.147 1.00 0.00 C ATOM 17 O HIS A 2 90.491 14.334 -8.625 1.00 0.00 O ATOM 18 CB HIS A 2 88.188 14.065 -10.055 1.00 0.00 C ATOM 19 CG HIS A 2 87.224 13.811 -11.181 1.00 0.00 C ATOM 20 ND1 HIS A 2 87.120 12.575 -11.801 1.00 0.00 N ATOM 21 CD2 HIS A 2 86.316 14.625 -11.812 1.00 0.00 C ATOM 22 CE1 HIS A 2 86.179 12.679 -12.758 1.00 0.00 C ATOM 23 NE2 HIS A 2 85.657 13.907 -12.807 1.00 0.00 N ATOM 0 H HIS A 2 87.850 12.294 -8.239 1.00 0.00 H new ATOM 0 HA HIS A 2 89.396 12.422 -10.838 1.00 0.00 H new ATOM 0 HB2 HIS A 2 87.642 14.260 -9.132 1.00 0.00 H new ATOM 0 HB3 HIS A 2 88.785 14.952 -10.266 1.00 0.00 H new ATOM 0 HD2 HIS A 2 86.140 15.663 -11.573 1.00 0.00 H new ATOM 0 HE1 HIS A 2 85.882 11.868 -13.407 1.00 0.00 H new ATOM 0 HE2 HIS A 2 84.931 14.247 -13.438 1.00 0.00 H new ATOM 31 N MET A 3 91.349 12.350 -9.115 1.00 0.00 N ATOM 32 CA MET A 3 92.656 12.623 -8.426 1.00 0.00 C ATOM 33 C MET A 3 92.515 13.707 -7.351 1.00 0.00 C ATOM 34 O MET A 3 92.533 14.887 -7.638 1.00 0.00 O ATOM 35 CB MET A 3 93.609 13.073 -9.537 1.00 0.00 C ATOM 36 CG MET A 3 93.182 14.440 -10.078 1.00 0.00 C ATOM 37 SD MET A 3 93.380 14.466 -11.877 1.00 0.00 S ATOM 38 CE MET A 3 94.475 15.904 -11.964 1.00 0.00 C ATOM 0 H MET A 3 91.285 11.427 -9.545 1.00 0.00 H new ATOM 0 HA MET A 3 93.023 11.739 -7.905 1.00 0.00 H new ATOM 0 HB2 MET A 3 94.627 13.128 -9.152 1.00 0.00 H new ATOM 0 HB3 MET A 3 93.612 12.339 -10.343 1.00 0.00 H new ATOM 0 HG2 MET A 3 92.144 14.640 -9.813 1.00 0.00 H new ATOM 0 HG3 MET A 3 93.784 15.227 -9.624 1.00 0.00 H new ATOM 0 HE1 MET A 3 94.730 16.105 -13.005 1.00 0.00 H new ATOM 0 HE2 MET A 3 93.970 16.772 -11.540 1.00 0.00 H new ATOM 0 HE3 MET A 3 95.386 15.703 -11.400 1.00 0.00 H new ATOM 48 N LEU A 4 92.372 13.314 -6.115 1.00 0.00 N ATOM 49 CA LEU A 4 92.228 14.322 -5.024 1.00 0.00 C ATOM 50 C LEU A 4 93.347 14.151 -3.992 1.00 0.00 C ATOM 51 O LEU A 4 93.244 13.357 -3.078 1.00 0.00 O ATOM 52 CB LEU A 4 90.867 14.029 -4.394 1.00 0.00 C ATOM 53 CG LEU A 4 90.169 15.345 -4.051 1.00 0.00 C ATOM 54 CD1 LEU A 4 89.038 15.599 -5.049 1.00 0.00 C ATOM 55 CD2 LEU A 4 89.589 15.261 -2.637 1.00 0.00 C ATOM 0 H LEU A 4 92.349 12.340 -5.813 1.00 0.00 H new ATOM 0 HA LEU A 4 92.295 15.345 -5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 4 90.253 13.448 -5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 4 90.993 13.427 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 4 90.889 16.161 -4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 4 88.541 16.537 -4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 4 89.449 15.658 -6.057 1.00 0.00 H new ATOM 0 HD13 LEU A 4 88.318 14.783 -4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 4 89.091 16.199 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 4 88.869 14.444 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 4 90.393 15.080 -1.924 1.00 0.00 H new ATOM 67 N GLU A 5 94.412 14.893 -4.129 1.00 0.00 N ATOM 68 CA GLU A 5 95.533 14.773 -3.152 1.00 0.00 C ATOM 69 C GLU A 5 95.229 15.596 -1.897 1.00 0.00 C ATOM 70 O GLU A 5 94.988 16.785 -1.967 1.00 0.00 O ATOM 71 CB GLU A 5 96.755 15.335 -3.880 1.00 0.00 C ATOM 72 CG GLU A 5 97.776 14.218 -4.103 1.00 0.00 C ATOM 73 CD GLU A 5 97.080 13.005 -4.722 1.00 0.00 C ATOM 74 OE1 GLU A 5 96.916 12.994 -5.931 1.00 0.00 O ATOM 75 OE2 GLU A 5 96.721 12.108 -3.977 1.00 0.00 O ATOM 0 H GLU A 5 94.555 15.576 -4.873 1.00 0.00 H new ATOM 0 HA GLU A 5 95.691 13.745 -2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 5 96.456 15.765 -4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 5 97.202 16.139 -3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 5 98.574 14.566 -4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 5 98.240 13.940 -3.156 1.00 0.00 H new ATOM 82 N ASP A 6 95.232 14.973 -0.751 1.00 0.00 N ATOM 83 CA ASP A 6 94.939 15.715 0.502 1.00 0.00 C ATOM 84 C ASP A 6 95.342 14.879 1.717 1.00 0.00 C ATOM 85 O ASP A 6 95.824 13.772 1.576 1.00 0.00 O ATOM 86 CB ASP A 6 93.428 15.922 0.483 1.00 0.00 C ATOM 87 CG ASP A 6 93.115 17.411 0.320 1.00 0.00 C ATOM 88 OD1 ASP A 6 93.824 18.212 0.906 1.00 0.00 O ATOM 89 OD2 ASP A 6 92.173 17.724 -0.389 1.00 0.00 O ATOM 0 H ASP A 6 95.426 13.979 -0.631 1.00 0.00 H new ATOM 0 HA ASP A 6 95.486 16.656 0.565 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.984 15.355 -0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 6 92.988 15.547 1.407 1.00 0.00 H new ATOM 94 N PRO A 7 95.116 15.433 2.877 1.00 0.00 N ATOM 95 CA PRO A 7 95.446 14.719 4.134 1.00 0.00 C ATOM 96 C PRO A 7 94.494 13.532 4.320 1.00 0.00 C ATOM 97 O PRO A 7 93.978 12.989 3.364 1.00 0.00 O ATOM 98 CB PRO A 7 95.244 15.787 5.213 1.00 0.00 C ATOM 99 CG PRO A 7 94.282 16.761 4.614 1.00 0.00 C ATOM 100 CD PRO A 7 94.525 16.753 3.129 1.00 0.00 C ATOM 0 HA PRO A 7 96.453 14.302 4.157 1.00 0.00 H new ATOM 0 HB2 PRO A 7 94.846 15.352 6.130 1.00 0.00 H new ATOM 0 HB3 PRO A 7 96.186 16.270 5.472 1.00 0.00 H new ATOM 0 HG2 PRO A 7 93.254 16.477 4.839 1.00 0.00 H new ATOM 0 HG3 PRO A 7 94.435 17.759 5.026 1.00 0.00 H new ATOM 0 HD2 PRO A 7 93.598 16.889 2.571 1.00 0.00 H new ATOM 0 HD3 PRO A 7 95.198 17.556 2.830 1.00 0.00 H new ATOM 108 N CYS A 8 94.253 13.122 5.534 1.00 0.00 N ATOM 109 CA CYS A 8 93.333 11.972 5.757 1.00 0.00 C ATOM 110 C CYS A 8 92.059 12.170 4.939 1.00 0.00 C ATOM 111 O CYS A 8 91.625 11.292 4.220 1.00 0.00 O ATOM 112 CB CYS A 8 93.020 11.996 7.254 1.00 0.00 C ATOM 113 SG CYS A 8 94.014 10.740 8.097 1.00 0.00 S ATOM 0 H CYS A 8 94.652 13.532 6.379 1.00 0.00 H new ATOM 0 HA CYS A 8 93.770 11.021 5.453 1.00 0.00 H new ATOM 0 HB2 CYS A 8 93.235 12.982 7.666 1.00 0.00 H new ATOM 0 HB3 CYS A 8 91.959 11.806 7.418 1.00 0.00 H new ATOM 0 HG CYS A 8 93.751 10.761 9.370 1.00 0.00 H new ATOM 119 N THR A 9 91.461 13.325 5.039 1.00 0.00 N ATOM 120 CA THR A 9 90.216 13.599 4.261 1.00 0.00 C ATOM 121 C THR A 9 89.103 12.620 4.647 1.00 0.00 C ATOM 122 O THR A 9 88.075 12.553 4.002 1.00 0.00 O ATOM 123 CB THR A 9 90.617 13.380 2.807 1.00 0.00 C ATOM 124 OG1 THR A 9 91.841 14.053 2.547 1.00 0.00 O ATOM 125 CG2 THR A 9 89.524 13.922 1.884 1.00 0.00 C ATOM 0 H THR A 9 91.781 14.094 5.627 1.00 0.00 H new ATOM 0 HA THR A 9 89.832 14.602 4.449 1.00 0.00 H new ATOM 0 HB THR A 9 90.744 12.313 2.623 1.00 0.00 H new ATOM 0 HG1 THR A 9 92.578 13.407 2.555 1.00 0.00 H new ATOM 0 HG21 THR A 9 89.814 13.764 0.845 1.00 0.00 H new ATOM 0 HG22 THR A 9 88.588 13.400 2.083 1.00 0.00 H new ATOM 0 HG23 THR A 9 89.391 14.989 2.065 1.00 0.00 H new ATOM 133 N SER A 10 89.299 11.856 5.682 1.00 0.00 N ATOM 134 CA SER A 10 88.254 10.876 6.100 1.00 0.00 C ATOM 135 C SER A 10 87.042 11.590 6.709 1.00 0.00 C ATOM 136 O SER A 10 86.586 11.251 7.783 1.00 0.00 O ATOM 137 CB SER A 10 88.933 9.990 7.144 1.00 0.00 C ATOM 138 OG SER A 10 90.134 10.613 7.583 1.00 0.00 O ATOM 0 H SER A 10 90.139 11.866 6.260 1.00 0.00 H new ATOM 0 HA SER A 10 87.879 10.301 5.253 1.00 0.00 H new ATOM 0 HB2 SER A 10 88.264 9.828 7.989 1.00 0.00 H new ATOM 0 HB3 SER A 10 89.153 9.011 6.719 1.00 0.00 H new ATOM 0 HG SER A 10 90.570 10.047 8.254 1.00 0.00 H new ATOM 144 N LYS A 11 86.504 12.560 6.023 1.00 0.00 N ATOM 145 CA LYS A 11 85.309 13.276 6.551 1.00 0.00 C ATOM 146 C LYS A 11 84.113 12.961 5.656 1.00 0.00 C ATOM 147 O LYS A 11 83.192 12.277 6.053 1.00 0.00 O ATOM 148 CB LYS A 11 85.664 14.762 6.487 1.00 0.00 C ATOM 149 CG LYS A 11 84.782 15.541 7.466 1.00 0.00 C ATOM 150 CD LYS A 11 84.233 16.791 6.776 1.00 0.00 C ATOM 151 CE LYS A 11 83.010 17.302 7.541 1.00 0.00 C ATOM 152 NZ LYS A 11 83.568 18.012 8.726 1.00 0.00 N ATOM 0 H LYS A 11 86.841 12.888 5.118 1.00 0.00 H new ATOM 0 HA LYS A 11 85.049 12.981 7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 11 86.716 14.906 6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 11 85.521 15.138 5.474 1.00 0.00 H new ATOM 0 HG2 LYS A 11 83.961 14.913 7.811 1.00 0.00 H new ATOM 0 HG3 LYS A 11 85.359 15.823 8.347 1.00 0.00 H new ATOM 0 HD2 LYS A 11 85.000 17.564 6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 11 83.961 16.561 5.746 1.00 0.00 H new ATOM 0 HE2 LYS A 11 82.410 17.972 6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 11 82.361 16.480 7.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 83.105 17.663 9.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 84.591 17.835 8.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 83.398 19.034 8.630 1.00 0.00 H new ATOM 166 N LYS A 12 84.137 13.425 4.438 1.00 0.00 N ATOM 167 CA LYS A 12 83.014 13.111 3.513 1.00 0.00 C ATOM 168 C LYS A 12 83.183 11.686 2.992 1.00 0.00 C ATOM 169 O LYS A 12 82.378 11.188 2.231 1.00 0.00 O ATOM 170 CB LYS A 12 83.124 14.129 2.377 1.00 0.00 C ATOM 171 CG LYS A 12 84.420 13.889 1.600 1.00 0.00 C ATOM 172 CD LYS A 12 84.422 14.746 0.332 1.00 0.00 C ATOM 173 CE LYS A 12 83.564 14.073 -0.741 1.00 0.00 C ATOM 174 NZ LYS A 12 84.423 12.988 -1.294 1.00 0.00 N ATOM 0 H LYS A 12 84.880 14.004 4.046 1.00 0.00 H new ATOM 0 HA LYS A 12 82.038 13.170 3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 12 82.266 14.040 1.710 1.00 0.00 H new ATOM 0 HB3 LYS A 12 83.111 15.142 2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 12 85.280 14.138 2.221 1.00 0.00 H new ATOM 0 HG3 LYS A 12 84.510 12.835 1.339 1.00 0.00 H new ATOM 0 HD2 LYS A 12 84.034 15.740 0.552 1.00 0.00 H new ATOM 0 HD3 LYS A 12 85.442 14.875 -0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 12 82.644 13.671 -0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 12 83.274 14.782 -1.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 84.485 13.087 -2.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 85.375 13.055 -0.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 84.008 12.063 -1.060 1.00 0.00 H new ATOM 188 N VAL A 13 84.222 11.025 3.419 1.00 0.00 N ATOM 189 CA VAL A 13 84.454 9.626 2.982 1.00 0.00 C ATOM 190 C VAL A 13 83.543 8.699 3.784 1.00 0.00 C ATOM 191 O VAL A 13 83.126 7.658 3.316 1.00 0.00 O ATOM 192 CB VAL A 13 85.926 9.353 3.297 1.00 0.00 C ATOM 193 CG1 VAL A 13 86.178 7.845 3.319 1.00 0.00 C ATOM 194 CG2 VAL A 13 86.803 10.000 2.224 1.00 0.00 C ATOM 0 H VAL A 13 84.924 11.399 4.057 1.00 0.00 H new ATOM 0 HA VAL A 13 84.238 9.464 1.926 1.00 0.00 H new ATOM 0 HB VAL A 13 86.171 9.773 4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 13 87.227 7.655 3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.554 7.383 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.933 7.421 2.345 1.00 0.00 H new ATOM 0 HG21 VAL A 13 87.852 9.807 2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 13 86.555 9.579 1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 13 86.627 11.076 2.210 1.00 0.00 H new ATOM 204 N ARG A 14 83.218 9.082 4.990 1.00 0.00 N ATOM 205 CA ARG A 14 82.319 8.234 5.820 1.00 0.00 C ATOM 206 C ARG A 14 81.010 7.990 5.068 1.00 0.00 C ATOM 207 O ARG A 14 80.472 6.900 5.073 1.00 0.00 O ATOM 208 CB ARG A 14 82.067 9.045 7.093 1.00 0.00 C ATOM 209 CG ARG A 14 82.899 8.468 8.240 1.00 0.00 C ATOM 210 CD ARG A 14 84.245 9.194 8.311 1.00 0.00 C ATOM 211 NE ARG A 14 85.019 8.467 9.354 1.00 0.00 N ATOM 212 CZ ARG A 14 86.275 8.759 9.557 1.00 0.00 C ATOM 213 NH1 ARG A 14 86.601 9.895 10.108 1.00 0.00 N ATOM 214 NH2 ARG A 14 87.206 7.914 9.205 1.00 0.00 N ATOM 0 H ARG A 14 83.536 9.943 5.434 1.00 0.00 H new ATOM 0 HA ARG A 14 82.751 7.259 6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 14 82.330 10.090 6.929 1.00 0.00 H new ATOM 0 HB3 ARG A 14 81.008 9.019 7.349 1.00 0.00 H new ATOM 0 HG2 ARG A 14 82.364 8.579 9.183 1.00 0.00 H new ATOM 0 HG3 ARG A 14 83.057 7.400 8.087 1.00 0.00 H new ATOM 0 HD2 ARG A 14 84.758 9.169 7.350 1.00 0.00 H new ATOM 0 HD3 ARG A 14 84.114 10.243 8.576 1.00 0.00 H new ATOM 0 HE ARG A 14 84.568 7.741 9.910 1.00 0.00 H new ATOM 0 HH11 ARG A 14 85.874 10.557 10.381 1.00 0.00 H new ATOM 0 HH12 ARG A 14 87.583 10.122 10.266 1.00 0.00 H new ATOM 0 HH21 ARG A 14 86.952 7.026 8.772 1.00 0.00 H new ATOM 0 HH22 ARG A 14 88.188 8.142 9.363 1.00 0.00 H new ATOM 228 N ALA A 15 80.497 8.997 4.413 1.00 0.00 N ATOM 229 CA ALA A 15 79.233 8.821 3.654 1.00 0.00 C ATOM 230 C ALA A 15 79.541 8.372 2.225 1.00 0.00 C ATOM 231 O ALA A 15 78.776 8.604 1.310 1.00 0.00 O ATOM 232 CB ALA A 15 78.567 10.198 3.656 1.00 0.00 C ATOM 0 H ALA A 15 80.901 9.933 4.373 1.00 0.00 H new ATOM 0 HA ALA A 15 78.587 8.062 4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 15 77.624 10.147 3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.377 10.509 4.683 1.00 0.00 H new ATOM 0 HB3 ALA A 15 79.225 10.921 3.174 1.00 0.00 H new ATOM 238 N ALA A 16 80.656 7.727 2.028 1.00 0.00 N ATOM 239 CA ALA A 16 81.017 7.258 0.660 1.00 0.00 C ATOM 240 C ALA A 16 81.216 5.742 0.665 1.00 0.00 C ATOM 241 O ALA A 16 81.059 5.082 -0.342 1.00 0.00 O ATOM 242 CB ALA A 16 82.327 7.974 0.327 1.00 0.00 C ATOM 0 H ALA A 16 81.335 7.504 2.756 1.00 0.00 H new ATOM 0 HA ALA A 16 80.241 7.476 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 16 82.659 7.680 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 16 82.169 9.052 0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 16 83.087 7.701 1.059 1.00 0.00 H new ATOM 248 N ARG A 17 81.555 5.185 1.794 1.00 0.00 N ATOM 249 CA ARG A 17 81.758 3.711 1.863 1.00 0.00 C ATOM 250 C ARG A 17 80.419 3.011 2.110 1.00 0.00 C ATOM 251 O ARG A 17 80.354 1.805 2.241 1.00 0.00 O ATOM 252 CB ARG A 17 82.704 3.494 3.044 1.00 0.00 C ATOM 253 CG ARG A 17 81.960 3.771 4.352 1.00 0.00 C ATOM 254 CD ARG A 17 82.695 4.858 5.138 1.00 0.00 C ATOM 255 NE ARG A 17 83.432 4.128 6.207 1.00 0.00 N ATOM 256 CZ ARG A 17 83.009 4.176 7.440 1.00 0.00 C ATOM 257 NH1 ARG A 17 81.969 3.475 7.801 1.00 0.00 N ATOM 258 NH2 ARG A 17 83.625 4.926 8.313 1.00 0.00 N ATOM 0 H ARG A 17 81.700 5.686 2.671 1.00 0.00 H new ATOM 0 HA ARG A 17 82.167 3.304 0.938 1.00 0.00 H new ATOM 0 HB2 ARG A 17 83.082 2.472 3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.568 4.154 2.958 1.00 0.00 H new ATOM 0 HG2 ARG A 17 80.938 4.088 4.141 1.00 0.00 H new ATOM 0 HG3 ARG A 17 81.895 2.859 4.946 1.00 0.00 H new ATOM 0 HD2 ARG A 17 83.378 5.415 4.497 1.00 0.00 H new ATOM 0 HD3 ARG A 17 81.996 5.579 5.562 1.00 0.00 H new ATOM 0 HE ARG A 17 84.267 3.591 5.975 1.00 0.00 H new ATOM 0 HH11 ARG A 17 81.487 2.890 7.119 1.00 0.00 H new ATOM 0 HH12 ARG A 17 81.638 3.513 8.765 1.00 0.00 H new ATOM 0 HH21 ARG A 17 84.437 5.475 8.031 1.00 0.00 H new ATOM 0 HH22 ARG A 17 83.294 4.963 9.277 1.00 0.00 H new ATOM 272 N THR A 18 79.349 3.758 2.178 1.00 0.00 N ATOM 273 CA THR A 18 78.019 3.127 2.420 1.00 0.00 C ATOM 274 C THR A 18 77.087 3.370 1.231 1.00 0.00 C ATOM 275 O THR A 18 77.186 4.366 0.543 1.00 0.00 O ATOM 276 CB THR A 18 77.478 3.815 3.675 1.00 0.00 C ATOM 277 OG1 THR A 18 78.515 3.924 4.639 1.00 0.00 O ATOM 278 CG2 THR A 18 76.325 2.993 4.252 1.00 0.00 C ATOM 0 H THR A 18 79.338 4.773 2.077 1.00 0.00 H new ATOM 0 HA THR A 18 78.094 2.047 2.545 1.00 0.00 H new ATOM 0 HB THR A 18 77.117 4.811 3.417 1.00 0.00 H new ATOM 0 HG1 THR A 18 78.170 4.366 5.442 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.940 3.484 5.146 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.529 2.912 3.511 1.00 0.00 H new ATOM 0 HG23 THR A 18 76.682 1.996 4.511 1.00 0.00 H new ATOM 286 N LEU A 19 76.176 2.466 0.990 1.00 0.00 N ATOM 287 CA LEU A 19 75.229 2.641 -0.149 1.00 0.00 C ATOM 288 C LEU A 19 73.872 2.022 0.192 1.00 0.00 C ATOM 289 O LEU A 19 73.735 1.289 1.151 1.00 0.00 O ATOM 290 CB LEU A 19 75.873 1.915 -1.333 1.00 0.00 C ATOM 291 CG LEU A 19 76.447 0.574 -0.873 1.00 0.00 C ATOM 292 CD1 LEU A 19 75.802 -0.558 -1.674 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.958 0.566 -1.107 1.00 0.00 C ATOM 0 H LEU A 19 76.046 1.613 1.533 1.00 0.00 H new ATOM 0 HA LEU A 19 75.051 3.693 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.134 1.754 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.664 2.531 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 19 76.240 0.431 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 19 76.211 -1.514 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 19 74.724 -0.550 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 19 76.011 -0.418 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.372 -0.388 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.163 0.706 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.418 1.374 -0.539 1.00 0.00 H new ATOM 305 N LEU A 20 72.868 2.321 -0.582 1.00 0.00 N ATOM 306 CA LEU A 20 71.511 1.764 -0.304 1.00 0.00 C ATOM 307 C LEU A 20 71.136 0.700 -1.342 1.00 0.00 C ATOM 308 O LEU A 20 71.013 0.984 -2.517 1.00 0.00 O ATOM 309 CB LEU A 20 70.570 2.968 -0.415 1.00 0.00 C ATOM 310 CG LEU A 20 69.199 2.619 0.171 1.00 0.00 C ATOM 311 CD1 LEU A 20 68.453 1.694 -0.790 1.00 0.00 C ATOM 312 CD2 LEU A 20 69.377 1.919 1.521 1.00 0.00 C ATOM 0 H LEU A 20 72.926 2.929 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 20 71.459 1.280 0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 20 70.994 3.821 0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.464 3.262 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 20 68.625 3.534 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 20 67.477 1.446 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 20 68.321 2.196 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.028 0.780 -0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 20 68.399 1.672 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 20 69.954 1.005 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 20 69.905 2.581 2.207 1.00 0.00 H new ATOM 324 N ALA A 21 70.939 -0.520 -0.920 1.00 0.00 N ATOM 325 CA ALA A 21 70.556 -1.588 -1.889 1.00 0.00 C ATOM 326 C ALA A 21 69.086 -1.419 -2.283 1.00 0.00 C ATOM 327 O ALA A 21 68.254 -1.078 -1.464 1.00 0.00 O ATOM 328 CB ALA A 21 70.766 -2.903 -1.140 1.00 0.00 C ATOM 0 H ALA A 21 71.026 -0.823 0.050 1.00 0.00 H new ATOM 0 HA ALA A 21 71.144 -1.552 -2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.504 -3.738 -1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.811 -2.989 -0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.133 -2.922 -0.253 1.00 0.00 H new ATOM 334 N LYS A 22 68.757 -1.648 -3.527 1.00 0.00 N ATOM 335 CA LYS A 22 67.339 -1.490 -3.958 1.00 0.00 C ATOM 336 C LYS A 22 66.976 -2.543 -5.005 1.00 0.00 C ATOM 337 O LYS A 22 67.785 -3.366 -5.382 1.00 0.00 O ATOM 338 CB LYS A 22 67.265 -0.088 -4.565 1.00 0.00 C ATOM 339 CG LYS A 22 66.276 0.765 -3.769 1.00 0.00 C ATOM 340 CD LYS A 22 65.382 1.545 -4.735 1.00 0.00 C ATOM 341 CE LYS A 22 64.024 0.850 -4.851 1.00 0.00 C ATOM 342 NZ LYS A 22 63.108 1.650 -3.993 1.00 0.00 N ATOM 0 H LYS A 22 69.406 -1.936 -4.259 1.00 0.00 H new ATOM 0 HA LYS A 22 66.643 -1.617 -3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 22 68.251 0.376 -4.555 1.00 0.00 H new ATOM 0 HB3 LYS A 22 66.952 -0.148 -5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 22 65.667 0.130 -3.126 1.00 0.00 H new ATOM 0 HG3 LYS A 22 66.815 1.454 -3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 22 65.250 2.567 -4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 22 65.855 1.607 -5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 22 63.679 0.829 -5.885 1.00 0.00 H new ATOM 0 HE3 LYS A 22 64.080 -0.184 -4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 62.155 1.235 -4.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.458 1.647 -3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.070 2.628 -4.344 1.00 0.00 H new ATOM 356 N ASN A 23 65.760 -2.522 -5.475 1.00 0.00 N ATOM 357 CA ASN A 23 65.334 -3.519 -6.498 1.00 0.00 C ATOM 358 C ASN A 23 65.512 -4.941 -5.958 1.00 0.00 C ATOM 359 O ASN A 23 65.475 -5.904 -6.697 1.00 0.00 O ATOM 360 CB ASN A 23 66.254 -3.282 -7.696 1.00 0.00 C ATOM 361 CG ASN A 23 65.835 -4.194 -8.851 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.689 -4.191 -9.257 1.00 0.00 O ATOM 363 ND2 ASN A 23 66.720 -4.981 -9.401 1.00 0.00 N ATOM 0 H ASN A 23 65.041 -1.856 -5.194 1.00 0.00 H new ATOM 0 HA ASN A 23 64.283 -3.409 -6.765 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.203 -2.238 -8.006 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.289 -3.482 -7.418 1.00 0.00 H new ATOM 0 HD21 ASN A 23 66.450 -5.593 -10.171 1.00 0.00 H new ATOM 0 HD22 ASN A 23 67.682 -4.984 -9.061 1.00 0.00 H new ATOM 370 N LEU A 24 65.700 -5.080 -4.675 1.00 0.00 N ATOM 371 CA LEU A 24 65.876 -6.439 -4.092 1.00 0.00 C ATOM 372 C LEU A 24 64.591 -7.251 -4.269 1.00 0.00 C ATOM 373 O LEU A 24 63.773 -6.957 -5.118 1.00 0.00 O ATOM 374 CB LEU A 24 66.163 -6.204 -2.608 1.00 0.00 C ATOM 375 CG LEU A 24 67.535 -5.548 -2.447 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.467 -4.481 -1.352 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.565 -6.610 -2.055 1.00 0.00 C ATOM 0 H LEU A 24 65.739 -4.312 -4.005 1.00 0.00 H new ATOM 0 HA LEU A 24 66.679 -6.997 -4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.392 -5.567 -2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.136 -7.150 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 24 67.827 -5.085 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.445 -4.014 -1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 24 66.733 -3.724 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.174 -4.945 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.543 -6.143 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.271 -7.072 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 24 68.616 -7.372 -2.833 1.00 0.00 H new ATOM 389 N SER A 25 64.404 -8.266 -3.473 1.00 0.00 N ATOM 390 CA SER A 25 63.169 -9.090 -3.597 1.00 0.00 C ATOM 391 C SER A 25 62.615 -9.414 -2.208 1.00 0.00 C ATOM 392 O SER A 25 63.271 -9.215 -1.205 1.00 0.00 O ATOM 393 CB SER A 25 63.613 -10.365 -4.312 1.00 0.00 C ATOM 394 OG SER A 25 62.957 -10.450 -5.570 1.00 0.00 O ATOM 0 H SER A 25 65.052 -8.561 -2.742 1.00 0.00 H new ATOM 0 HA SER A 25 62.378 -8.575 -4.143 1.00 0.00 H new ATOM 0 HB2 SER A 25 64.694 -10.360 -4.452 1.00 0.00 H new ATOM 0 HB3 SER A 25 63.375 -11.238 -3.705 1.00 0.00 H new ATOM 0 HG SER A 25 62.622 -11.361 -5.703 1.00 0.00 H new ATOM 400 N PHE A 26 61.411 -9.910 -2.142 1.00 0.00 N ATOM 401 CA PHE A 26 60.814 -10.244 -0.823 1.00 0.00 C ATOM 402 C PHE A 26 61.496 -11.482 -0.232 1.00 0.00 C ATOM 403 O PHE A 26 61.246 -11.862 0.895 1.00 0.00 O ATOM 404 CB PHE A 26 59.349 -10.538 -1.137 1.00 0.00 C ATOM 405 CG PHE A 26 58.499 -9.343 -0.775 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.528 -8.196 -1.576 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.678 -9.385 0.358 1.00 0.00 C ATOM 408 CE1 PHE A 26 57.737 -7.089 -1.245 1.00 0.00 C ATOM 409 CE2 PHE A 26 56.886 -8.279 0.690 1.00 0.00 C ATOM 410 CZ PHE A 26 56.915 -7.132 -0.112 1.00 0.00 C ATOM 0 H PHE A 26 60.815 -10.098 -2.948 1.00 0.00 H new ATOM 0 HA PHE A 26 60.930 -9.443 -0.093 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.234 -10.770 -2.196 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.017 -11.414 -0.580 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.161 -8.165 -2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.655 -10.270 0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 26 57.761 -6.203 -1.863 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.253 -8.311 1.564 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.303 -6.280 0.143 1.00 0.00 H new ATOM 420 N ASN A 27 62.352 -12.115 -0.986 1.00 0.00 N ATOM 421 CA ASN A 27 63.042 -13.328 -0.476 1.00 0.00 C ATOM 422 C ASN A 27 64.472 -12.995 -0.033 1.00 0.00 C ATOM 423 O ASN A 27 64.897 -13.363 1.044 1.00 0.00 O ATOM 424 CB ASN A 27 63.059 -14.299 -1.656 1.00 0.00 C ATOM 425 CG ASN A 27 63.262 -15.725 -1.141 1.00 0.00 C ATOM 426 OD1 ASN A 27 62.508 -16.198 -0.313 1.00 0.00 O ATOM 427 ND2 ASN A 27 64.255 -16.436 -1.598 1.00 0.00 N ATOM 0 H ASN A 27 62.603 -11.842 -1.936 1.00 0.00 H new ATOM 0 HA ASN A 27 62.537 -13.747 0.394 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.123 -14.231 -2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.859 -14.034 -2.348 1.00 0.00 H new ATOM 0 HD21 ASN A 27 64.398 -17.388 -1.261 1.00 0.00 H new ATOM 0 HD22 ASN A 27 64.888 -16.040 -2.293 1.00 0.00 H new ATOM 434 N ILE A 28 65.220 -12.311 -0.856 1.00 0.00 N ATOM 435 CA ILE A 28 66.622 -11.971 -0.474 1.00 0.00 C ATOM 436 C ILE A 28 66.660 -11.383 0.940 1.00 0.00 C ATOM 437 O ILE A 28 65.653 -10.970 1.479 1.00 0.00 O ATOM 438 CB ILE A 28 67.086 -10.938 -1.503 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.611 -10.825 -1.454 1.00 0.00 C ATOM 440 CG2 ILE A 28 66.467 -9.576 -1.189 1.00 0.00 C ATOM 441 CD1 ILE A 28 69.114 -10.131 -2.722 1.00 0.00 C ATOM 0 H ILE A 28 64.924 -11.974 -1.772 1.00 0.00 H new ATOM 0 HA ILE A 28 67.268 -12.849 -0.468 1.00 0.00 H new ATOM 0 HB ILE A 28 66.771 -11.255 -2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.916 -10.261 -0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 28 69.057 -11.816 -1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 28 66.802 -8.846 -1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 28 65.380 -9.654 -1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 28 66.777 -9.256 -0.194 1.00 0.00 H new ATOM 0 HD11 ILE A 28 70.200 -10.051 -2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.822 -10.713 -3.596 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.679 -9.134 -2.788 1.00 0.00 H new ATOM 453 N THR A 29 67.817 -11.349 1.544 1.00 0.00 N ATOM 454 CA THR A 29 67.923 -10.795 2.926 1.00 0.00 C ATOM 455 C THR A 29 69.365 -10.383 3.228 1.00 0.00 C ATOM 456 O THR A 29 70.228 -10.430 2.373 1.00 0.00 O ATOM 457 CB THR A 29 67.506 -11.945 3.844 1.00 0.00 C ATOM 458 OG1 THR A 29 68.227 -13.116 3.483 1.00 0.00 O ATOM 459 CG2 THR A 29 66.005 -12.202 3.702 1.00 0.00 C ATOM 0 H THR A 29 68.693 -11.681 1.141 1.00 0.00 H new ATOM 0 HA THR A 29 67.302 -9.909 3.059 1.00 0.00 H new ATOM 0 HB THR A 29 67.726 -11.683 4.879 1.00 0.00 H new ATOM 0 HG1 THR A 29 68.027 -13.349 2.552 1.00 0.00 H new ATOM 0 HG21 THR A 29 65.713 -13.022 4.358 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.454 -11.303 3.978 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.777 -12.465 2.669 1.00 0.00 H new ATOM 467 N GLU A 30 69.636 -9.990 4.444 1.00 0.00 N ATOM 468 CA GLU A 30 71.024 -9.588 4.802 1.00 0.00 C ATOM 469 C GLU A 30 71.997 -10.699 4.407 1.00 0.00 C ATOM 470 O GLU A 30 73.117 -10.450 4.008 1.00 0.00 O ATOM 471 CB GLU A 30 71.010 -9.400 6.318 1.00 0.00 C ATOM 472 CG GLU A 30 71.595 -8.031 6.669 1.00 0.00 C ATOM 473 CD GLU A 30 73.090 -8.175 6.960 1.00 0.00 C ATOM 474 OE1 GLU A 30 73.635 -9.221 6.651 1.00 0.00 O ATOM 475 OE2 GLU A 30 73.664 -7.236 7.488 1.00 0.00 O ATOM 0 H GLU A 30 68.957 -9.931 5.202 1.00 0.00 H new ATOM 0 HA GLU A 30 71.341 -8.680 4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 30 69.990 -9.479 6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 30 71.589 -10.189 6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 30 71.439 -7.335 5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 30 71.083 -7.616 7.537 1.00 0.00 H new ATOM 482 N ASP A 31 71.570 -11.928 4.507 1.00 0.00 N ATOM 483 CA ASP A 31 72.462 -13.058 4.128 1.00 0.00 C ATOM 484 C ASP A 31 72.924 -12.882 2.683 1.00 0.00 C ATOM 485 O ASP A 31 74.101 -12.909 2.386 1.00 0.00 O ATOM 486 CB ASP A 31 71.600 -14.314 4.270 1.00 0.00 C ATOM 487 CG ASP A 31 71.955 -15.032 5.574 1.00 0.00 C ATOM 488 OD1 ASP A 31 72.099 -14.356 6.579 1.00 0.00 O ATOM 489 OD2 ASP A 31 72.077 -16.245 5.544 1.00 0.00 O ATOM 0 H ASP A 31 70.642 -12.198 4.835 1.00 0.00 H new ATOM 0 HA ASP A 31 73.355 -13.113 4.750 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.544 -14.045 4.266 1.00 0.00 H new ATOM 0 HB3 ASP A 31 71.763 -14.978 3.421 1.00 0.00 H new ATOM 494 N GLU A 32 72.001 -12.686 1.785 1.00 0.00 N ATOM 495 CA GLU A 32 72.382 -12.491 0.358 1.00 0.00 C ATOM 496 C GLU A 32 73.127 -11.166 0.204 1.00 0.00 C ATOM 497 O GLU A 32 74.051 -11.042 -0.580 1.00 0.00 O ATOM 498 CB GLU A 32 71.060 -12.458 -0.409 1.00 0.00 C ATOM 499 CG GLU A 32 70.545 -13.885 -0.603 1.00 0.00 C ATOM 500 CD GLU A 32 69.821 -14.344 0.664 1.00 0.00 C ATOM 501 OE1 GLU A 32 68.792 -13.767 0.975 1.00 0.00 O ATOM 502 OE2 GLU A 32 70.308 -15.263 1.302 1.00 0.00 O ATOM 0 H GLU A 32 71.000 -12.652 1.976 1.00 0.00 H new ATOM 0 HA GLU A 32 73.039 -13.278 -0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.325 -11.866 0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 32 71.201 -11.977 -1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 32 69.868 -13.926 -1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 32 71.376 -14.556 -0.823 1.00 0.00 H new ATOM 509 N LEU A 33 72.748 -10.183 0.970 1.00 0.00 N ATOM 510 CA LEU A 33 73.442 -8.874 0.894 1.00 0.00 C ATOM 511 C LEU A 33 74.826 -9.035 1.500 1.00 0.00 C ATOM 512 O LEU A 33 75.789 -8.439 1.061 1.00 0.00 O ATOM 513 CB LEU A 33 72.590 -7.916 1.730 1.00 0.00 C ATOM 514 CG LEU A 33 71.208 -7.771 1.091 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.317 -6.913 1.991 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.348 -7.098 -0.276 1.00 0.00 C ATOM 0 H LEU A 33 71.986 -10.232 1.646 1.00 0.00 H new ATOM 0 HA LEU A 33 73.558 -8.504 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.494 -8.293 2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.076 -6.943 1.795 1.00 0.00 H new ATOM 0 HG LEU A 33 70.759 -8.757 0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.332 -6.810 1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.218 -7.390 2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.765 -5.927 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.364 -6.994 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.797 -6.112 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 33 71.983 -7.708 -0.918 1.00 0.00 H new ATOM 528 N LYS A 34 74.933 -9.864 2.502 1.00 0.00 N ATOM 529 CA LYS A 34 76.254 -10.093 3.132 1.00 0.00 C ATOM 530 C LYS A 34 77.064 -11.035 2.250 1.00 0.00 C ATOM 531 O LYS A 34 78.279 -11.038 2.262 1.00 0.00 O ATOM 532 CB LYS A 34 75.953 -10.733 4.489 1.00 0.00 C ATOM 533 CG LYS A 34 77.257 -11.216 5.129 1.00 0.00 C ATOM 534 CD LYS A 34 77.817 -10.119 6.036 1.00 0.00 C ATOM 535 CE LYS A 34 77.233 -10.273 7.443 1.00 0.00 C ATOM 536 NZ LYS A 34 77.922 -9.235 8.260 1.00 0.00 N ATOM 0 H LYS A 34 74.160 -10.391 2.908 1.00 0.00 H new ATOM 0 HA LYS A 34 76.832 -9.177 3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 34 75.461 -10.012 5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.266 -11.570 4.363 1.00 0.00 H new ATOM 0 HG2 LYS A 34 77.077 -12.123 5.706 1.00 0.00 H new ATOM 0 HG3 LYS A 34 77.982 -11.469 4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 34 78.905 -10.183 6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 34 77.569 -9.137 5.633 1.00 0.00 H new ATOM 0 HE2 LYS A 34 76.153 -10.122 7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 34 77.415 -11.272 7.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 77.575 -9.277 9.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 78.947 -9.408 8.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 77.725 -8.294 7.863 1.00 0.00 H new ATOM 550 N GLU A 35 76.384 -11.822 1.471 1.00 0.00 N ATOM 551 CA GLU A 35 77.079 -12.765 0.560 1.00 0.00 C ATOM 552 C GLU A 35 77.547 -12.010 -0.683 1.00 0.00 C ATOM 553 O GLU A 35 78.571 -12.314 -1.263 1.00 0.00 O ATOM 554 CB GLU A 35 76.029 -13.815 0.192 1.00 0.00 C ATOM 555 CG GLU A 35 76.585 -14.735 -0.896 1.00 0.00 C ATOM 556 CD GLU A 35 77.201 -15.977 -0.249 1.00 0.00 C ATOM 557 OE1 GLU A 35 77.733 -15.850 0.842 1.00 0.00 O ATOM 558 OE2 GLU A 35 77.130 -17.034 -0.855 1.00 0.00 O ATOM 0 H GLU A 35 75.365 -11.852 1.426 1.00 0.00 H new ATOM 0 HA GLU A 35 77.957 -13.224 1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.758 -14.398 1.072 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.120 -13.327 -0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 35 75.790 -15.026 -1.582 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.336 -14.208 -1.484 1.00 0.00 H new ATOM 565 N VAL A 36 76.806 -11.014 -1.085 1.00 0.00 N ATOM 566 CA VAL A 36 77.207 -10.219 -2.276 1.00 0.00 C ATOM 567 C VAL A 36 78.203 -9.147 -1.847 1.00 0.00 C ATOM 568 O VAL A 36 79.178 -8.876 -2.520 1.00 0.00 O ATOM 569 CB VAL A 36 75.914 -9.575 -2.778 1.00 0.00 C ATOM 570 CG1 VAL A 36 76.248 -8.431 -3.738 1.00 0.00 C ATOM 571 CG2 VAL A 36 75.072 -10.623 -3.508 1.00 0.00 C ATOM 0 H VAL A 36 75.939 -10.717 -0.638 1.00 0.00 H new ATOM 0 HA VAL A 36 77.681 -10.824 -3.049 1.00 0.00 H new ATOM 0 HB VAL A 36 75.353 -9.183 -1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 36 75.325 -7.974 -4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.846 -7.683 -3.218 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.811 -8.820 -4.586 1.00 0.00 H new ATOM 0 HG21 VAL A 36 74.150 -10.164 -3.866 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.634 -11.016 -4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.831 -11.437 -2.824 1.00 0.00 H new ATOM 581 N PHE A 37 77.956 -8.533 -0.724 1.00 0.00 N ATOM 582 CA PHE A 37 78.864 -7.478 -0.230 1.00 0.00 C ATOM 583 C PHE A 37 79.737 -8.017 0.908 1.00 0.00 C ATOM 584 O PHE A 37 80.046 -7.318 1.851 1.00 0.00 O ATOM 585 CB PHE A 37 77.916 -6.399 0.278 1.00 0.00 C ATOM 586 CG PHE A 37 76.988 -5.989 -0.840 1.00 0.00 C ATOM 587 CD1 PHE A 37 77.513 -5.603 -2.079 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.602 -5.998 -0.640 1.00 0.00 C ATOM 589 CE1 PHE A 37 76.653 -5.228 -3.118 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.743 -5.623 -1.679 1.00 0.00 C ATOM 591 CZ PHE A 37 75.268 -5.237 -2.918 1.00 0.00 C ATOM 0 H PHE A 37 77.153 -8.724 -0.125 1.00 0.00 H new ATOM 0 HA PHE A 37 79.550 -7.110 -0.993 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.341 -6.772 1.126 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.482 -5.537 0.632 1.00 0.00 H new ATOM 0 HD1 PHE A 37 78.582 -5.595 -2.233 1.00 0.00 H new ATOM 0 HD2 PHE A 37 75.196 -6.294 0.316 1.00 0.00 H new ATOM 0 HE1 PHE A 37 77.059 -4.932 -4.074 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.674 -5.631 -1.525 1.00 0.00 H new ATOM 0 HZ PHE A 37 74.605 -4.946 -3.719 1.00 0.00 H new ATOM 601 N GLU A 38 80.134 -9.257 0.825 1.00 0.00 N ATOM 602 CA GLU A 38 80.984 -9.844 1.901 1.00 0.00 C ATOM 603 C GLU A 38 82.206 -8.959 2.158 1.00 0.00 C ATOM 604 O GLU A 38 82.841 -9.046 3.189 1.00 0.00 O ATOM 605 CB GLU A 38 81.414 -11.210 1.365 1.00 0.00 C ATOM 606 CG GLU A 38 81.168 -12.278 2.432 1.00 0.00 C ATOM 607 CD GLU A 38 81.801 -13.600 1.989 1.00 0.00 C ATOM 608 OE1 GLU A 38 81.335 -14.157 1.009 1.00 0.00 O ATOM 609 OE2 GLU A 38 82.740 -14.031 2.637 1.00 0.00 O ATOM 0 H GLU A 38 79.907 -9.890 0.058 1.00 0.00 H new ATOM 0 HA GLU A 38 80.450 -9.926 2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 38 80.855 -11.450 0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.469 -11.190 1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 38 81.593 -11.960 3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 38 80.098 -12.410 2.589 1.00 0.00 H new ATOM 616 N ASP A 39 82.544 -8.107 1.228 1.00 0.00 N ATOM 617 CA ASP A 39 83.727 -7.222 1.422 1.00 0.00 C ATOM 618 C ASP A 39 83.326 -5.963 2.196 1.00 0.00 C ATOM 619 O ASP A 39 84.156 -5.141 2.533 1.00 0.00 O ATOM 620 CB ASP A 39 84.187 -6.859 0.010 1.00 0.00 C ATOM 621 CG ASP A 39 85.707 -6.690 -0.003 1.00 0.00 C ATOM 622 OD1 ASP A 39 86.185 -5.747 0.606 1.00 0.00 O ATOM 623 OD2 ASP A 39 86.369 -7.507 -0.622 1.00 0.00 O ATOM 0 H ASP A 39 82.052 -7.986 0.343 1.00 0.00 H new ATOM 0 HA ASP A 39 84.516 -7.709 1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.891 -7.638 -0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.705 -5.937 -0.315 1.00 0.00 H new ATOM 628 N ALA A 40 82.062 -5.803 2.478 1.00 0.00 N ATOM 629 CA ALA A 40 81.617 -4.593 3.227 1.00 0.00 C ATOM 630 C ALA A 40 81.724 -4.830 4.737 1.00 0.00 C ATOM 631 O ALA A 40 82.246 -5.832 5.183 1.00 0.00 O ATOM 632 CB ALA A 40 80.158 -4.389 2.818 1.00 0.00 C ATOM 0 H ALA A 40 81.320 -6.455 2.223 1.00 0.00 H new ATOM 0 HA ALA A 40 82.231 -3.721 3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.756 -3.514 3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 40 80.100 -4.239 1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.576 -5.269 3.093 1.00 0.00 H new ATOM 638 N LEU A 41 81.231 -3.913 5.526 1.00 0.00 N ATOM 639 CA LEU A 41 81.302 -4.080 7.001 1.00 0.00 C ATOM 640 C LEU A 41 79.982 -4.640 7.524 1.00 0.00 C ATOM 641 O LEU A 41 79.951 -5.545 8.334 1.00 0.00 O ATOM 642 CB LEU A 41 81.531 -2.676 7.575 1.00 0.00 C ATOM 643 CG LEU A 41 82.484 -1.883 6.682 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.479 -0.415 7.112 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.898 -2.449 6.815 1.00 0.00 C ATOM 0 H LEU A 41 80.782 -3.054 5.209 1.00 0.00 H new ATOM 0 HA LEU A 41 82.097 -4.768 7.288 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.579 -2.151 7.658 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.943 -2.751 8.581 1.00 0.00 H new ATOM 0 HG LEU A 41 82.159 -1.960 5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 41 83.158 0.153 6.476 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.471 -0.012 7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.804 -0.339 8.150 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.578 -1.883 6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.224 -2.372 7.852 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.901 -3.495 6.510 1.00 0.00 H new ATOM 657 N GLU A 42 78.888 -4.094 7.071 1.00 0.00 N ATOM 658 CA GLU A 42 77.560 -4.580 7.544 1.00 0.00 C ATOM 659 C GLU A 42 76.466 -4.197 6.547 1.00 0.00 C ATOM 660 O GLU A 42 76.667 -3.380 5.670 1.00 0.00 O ATOM 661 CB GLU A 42 77.336 -3.874 8.882 1.00 0.00 C ATOM 662 CG GLU A 42 78.203 -4.528 9.959 1.00 0.00 C ATOM 663 CD GLU A 42 77.500 -4.426 11.312 1.00 0.00 C ATOM 664 OE1 GLU A 42 76.627 -3.584 11.442 1.00 0.00 O ATOM 665 OE2 GLU A 42 77.845 -5.192 12.197 1.00 0.00 O ATOM 0 H GLU A 42 78.855 -3.332 6.394 1.00 0.00 H new ATOM 0 HA GLU A 42 77.530 -5.665 7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 42 77.585 -2.817 8.793 1.00 0.00 H new ATOM 0 HB3 GLU A 42 76.284 -3.931 9.163 1.00 0.00 H new ATOM 0 HG2 GLU A 42 78.384 -5.573 9.709 1.00 0.00 H new ATOM 0 HG3 GLU A 42 79.176 -4.038 10.005 1.00 0.00 H new ATOM 672 N ILE A 43 75.309 -4.783 6.677 1.00 0.00 N ATOM 673 CA ILE A 43 74.199 -4.457 5.737 1.00 0.00 C ATOM 674 C ILE A 43 72.865 -4.407 6.480 1.00 0.00 C ATOM 675 O ILE A 43 72.633 -5.142 7.419 1.00 0.00 O ATOM 676 CB ILE A 43 74.199 -5.596 4.721 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.554 -5.640 4.013 1.00 0.00 C ATOM 678 CG2 ILE A 43 73.089 -5.365 3.694 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.594 -6.833 3.059 1.00 0.00 C ATOM 0 H ILE A 43 75.083 -5.473 7.393 1.00 0.00 H new ATOM 0 HA ILE A 43 74.333 -3.483 5.266 1.00 0.00 H new ATOM 0 HB ILE A 43 74.024 -6.543 5.232 1.00 0.00 H new ATOM 0 HG12 ILE A 43 75.718 -4.714 3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 43 76.357 -5.720 4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 43 73.089 -6.179 2.969 1.00 0.00 H new ATOM 0 HG22 ILE A 43 72.125 -5.332 4.202 1.00 0.00 H new ATOM 0 HG23 ILE A 43 73.261 -4.420 3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.560 -6.864 2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 43 75.450 -7.755 3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 43 74.801 -6.733 2.318 1.00 0.00 H new ATOM 691 N ARG A 44 71.985 -3.545 6.058 1.00 0.00 N ATOM 692 CA ARG A 44 70.660 -3.440 6.726 1.00 0.00 C ATOM 693 C ARG A 44 69.543 -3.625 5.697 1.00 0.00 C ATOM 694 O ARG A 44 69.754 -3.486 4.508 1.00 0.00 O ATOM 695 CB ARG A 44 70.629 -2.030 7.314 1.00 0.00 C ATOM 696 CG ARG A 44 71.032 -2.086 8.789 1.00 0.00 C ATOM 697 CD ARG A 44 69.797 -1.866 9.666 1.00 0.00 C ATOM 698 NE ARG A 44 69.716 -0.391 9.851 1.00 0.00 N ATOM 699 CZ ARG A 44 69.515 0.108 11.040 1.00 0.00 C ATOM 700 NH1 ARG A 44 68.371 -0.076 11.640 1.00 0.00 N ATOM 701 NH2 ARG A 44 70.457 0.791 11.629 1.00 0.00 N ATOM 0 H ARG A 44 72.127 -2.906 5.276 1.00 0.00 H new ATOM 0 HA ARG A 44 70.514 -4.201 7.493 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.309 -1.380 6.764 1.00 0.00 H new ATOM 0 HB3 ARG A 44 69.631 -1.604 7.214 1.00 0.00 H new ATOM 0 HG2 ARG A 44 71.485 -3.051 9.016 1.00 0.00 H new ATOM 0 HG3 ARG A 44 71.782 -1.324 9.001 1.00 0.00 H new ATOM 0 HD2 ARG A 44 68.898 -2.254 9.187 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.895 -2.379 10.623 1.00 0.00 H new ATOM 0 HE ARG A 44 69.818 0.230 9.048 1.00 0.00 H new ATOM 0 HH11 ARG A 44 67.634 -0.610 11.180 1.00 0.00 H new ATOM 0 HH12 ARG A 44 68.214 0.314 12.569 1.00 0.00 H new ATOM 0 HH21 ARG A 44 71.351 0.935 11.160 1.00 0.00 H new ATOM 0 HH22 ARG A 44 70.299 1.181 12.558 1.00 0.00 H new ATOM 715 N LEU A 45 68.360 -3.941 6.140 1.00 0.00 N ATOM 716 CA LEU A 45 67.235 -4.136 5.184 1.00 0.00 C ATOM 717 C LEU A 45 66.322 -2.912 5.195 1.00 0.00 C ATOM 718 O LEU A 45 66.357 -2.110 6.107 1.00 0.00 O ATOM 719 CB LEU A 45 66.489 -5.369 5.695 1.00 0.00 C ATOM 720 CG LEU A 45 66.368 -6.396 4.567 1.00 0.00 C ATOM 721 CD1 LEU A 45 65.575 -5.790 3.407 1.00 0.00 C ATOM 722 CD2 LEU A 45 67.766 -6.783 4.081 1.00 0.00 C ATOM 0 H LEU A 45 68.122 -4.073 7.123 1.00 0.00 H new ATOM 0 HA LEU A 45 67.580 -4.268 4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.020 -5.804 6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.499 -5.086 6.052 1.00 0.00 H new ATOM 0 HG LEU A 45 65.851 -7.282 4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.489 -6.522 2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 45 64.579 -5.512 3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 45 66.091 -4.904 3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 45 67.682 -7.515 3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 45 68.281 -5.896 3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 45 68.332 -7.214 4.907 1.00 0.00 H new ATOM 734 N VAL A 46 65.506 -2.756 4.190 1.00 0.00 N ATOM 735 CA VAL A 46 64.601 -1.576 4.153 1.00 0.00 C ATOM 736 C VAL A 46 63.360 -1.871 3.304 1.00 0.00 C ATOM 737 O VAL A 46 63.446 -2.340 2.175 1.00 0.00 O ATOM 738 CB VAL A 46 65.436 -0.457 3.537 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.587 0.810 3.427 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.649 -0.183 4.429 1.00 0.00 C ATOM 0 H VAL A 46 65.427 -3.392 3.396 1.00 0.00 H new ATOM 0 HA VAL A 46 64.234 -1.308 5.144 1.00 0.00 H new ATOM 0 HB VAL A 46 65.772 -0.755 2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.183 1.610 2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.720 0.614 2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 46 64.252 1.111 4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.248 0.616 3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.311 0.117 5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.253 -1.087 4.510 1.00 0.00 H new ATOM 750 N SER A 47 62.205 -1.602 3.855 1.00 0.00 N ATOM 751 CA SER A 47 60.932 -1.855 3.125 1.00 0.00 C ATOM 752 C SER A 47 60.020 -0.627 3.210 1.00 0.00 C ATOM 753 O SER A 47 60.451 0.454 3.559 1.00 0.00 O ATOM 754 CB SER A 47 60.301 -3.037 3.858 1.00 0.00 C ATOM 755 OG SER A 47 59.855 -2.613 5.139 1.00 0.00 O ATOM 0 H SER A 47 62.091 -1.213 4.791 1.00 0.00 H new ATOM 0 HA SER A 47 61.091 -2.059 2.066 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.464 -3.432 3.282 1.00 0.00 H new ATOM 0 HB3 SER A 47 61.026 -3.844 3.962 1.00 0.00 H new ATOM 0 HG SER A 47 59.448 -3.370 5.611 1.00 0.00 H new ATOM 761 N GLN A 48 58.764 -0.786 2.894 1.00 0.00 N ATOM 762 CA GLN A 48 57.825 0.371 2.960 1.00 0.00 C ATOM 763 C GLN A 48 57.411 0.627 4.411 1.00 0.00 C ATOM 764 O GLN A 48 57.901 -0.006 5.326 1.00 0.00 O ATOM 765 CB GLN A 48 56.617 -0.049 2.122 1.00 0.00 C ATOM 766 CG GLN A 48 55.877 1.196 1.627 1.00 0.00 C ATOM 767 CD GLN A 48 55.140 0.870 0.328 1.00 0.00 C ATOM 768 OE1 GLN A 48 55.464 1.400 -0.717 1.00 0.00 O ATOM 769 NE2 GLN A 48 54.153 0.017 0.348 1.00 0.00 N ATOM 0 H GLN A 48 58.347 -1.667 2.593 1.00 0.00 H new ATOM 0 HA GLN A 48 58.275 1.292 2.589 1.00 0.00 H new ATOM 0 HB2 GLN A 48 56.942 -0.652 1.274 1.00 0.00 H new ATOM 0 HB3 GLN A 48 55.947 -0.670 2.717 1.00 0.00 H new ATOM 0 HG2 GLN A 48 55.169 1.536 2.383 1.00 0.00 H new ATOM 0 HG3 GLN A 48 56.583 2.010 1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 48 53.881 -0.428 1.225 1.00 0.00 H new ATOM 0 HE22 GLN A 48 53.653 -0.205 -0.513 1.00 0.00 H new ATOM 778 N ASP A 49 56.511 1.548 4.630 1.00 0.00 N ATOM 779 CA ASP A 49 56.067 1.840 6.024 1.00 0.00 C ATOM 780 C ASP A 49 55.866 0.534 6.800 1.00 0.00 C ATOM 781 O ASP A 49 55.982 0.496 8.009 1.00 0.00 O ATOM 782 CB ASP A 49 54.738 2.580 5.869 1.00 0.00 C ATOM 783 CG ASP A 49 54.967 4.083 6.050 1.00 0.00 C ATOM 784 OD1 ASP A 49 55.952 4.441 6.673 1.00 0.00 O ATOM 785 OD2 ASP A 49 54.151 4.848 5.563 1.00 0.00 O ATOM 0 H ASP A 49 56.065 2.110 3.905 1.00 0.00 H new ATOM 0 HA ASP A 49 56.800 2.428 6.576 1.00 0.00 H new ATOM 0 HB2 ASP A 49 54.312 2.382 4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 49 54.020 2.219 6.606 1.00 0.00 H new ATOM 790 N GLY A 50 55.567 -0.534 6.113 1.00 0.00 N ATOM 791 CA GLY A 50 55.360 -1.835 6.811 1.00 0.00 C ATOM 792 C GLY A 50 55.167 -2.946 5.778 1.00 0.00 C ATOM 793 O GLY A 50 54.185 -3.661 5.798 1.00 0.00 O ATOM 0 H GLY A 50 55.457 -0.563 5.099 1.00 0.00 H new ATOM 0 HA2 GLY A 50 56.217 -2.059 7.445 1.00 0.00 H new ATOM 0 HA3 GLY A 50 54.488 -1.775 7.463 1.00 0.00 H new ATOM 797 N LYS A 51 56.096 -3.097 4.873 1.00 0.00 N ATOM 798 CA LYS A 51 55.965 -4.162 3.839 1.00 0.00 C ATOM 799 C LYS A 51 57.246 -4.225 3.009 1.00 0.00 C ATOM 800 O LYS A 51 57.619 -3.264 2.368 1.00 0.00 O ATOM 801 CB LYS A 51 54.780 -3.733 2.973 1.00 0.00 C ATOM 802 CG LYS A 51 53.580 -4.637 3.261 1.00 0.00 C ATOM 803 CD LYS A 51 53.468 -5.699 2.166 1.00 0.00 C ATOM 804 CE LYS A 51 52.054 -6.284 2.165 1.00 0.00 C ATOM 805 NZ LYS A 51 51.211 -5.250 1.502 1.00 0.00 N ATOM 0 H LYS A 51 56.940 -2.528 4.805 1.00 0.00 H new ATOM 0 HA LYS A 51 55.808 -5.151 4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 51 54.523 -2.694 3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 51 55.047 -3.792 1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 51 53.695 -5.114 4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 51 52.666 -4.044 3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 51 53.692 -5.259 1.194 1.00 0.00 H new ATOM 0 HD3 LYS A 51 54.200 -6.489 2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 51 52.018 -7.229 1.624 1.00 0.00 H new ATOM 0 HE3 LYS A 51 51.709 -6.484 3.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 50.392 -5.031 2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 51.772 -4.387 1.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 50.879 -5.609 0.584 1.00 0.00 H new ATOM 819 N SER A 52 57.921 -5.347 3.025 1.00 0.00 N ATOM 820 CA SER A 52 59.186 -5.476 2.246 1.00 0.00 C ATOM 821 C SER A 52 59.082 -4.719 0.923 1.00 0.00 C ATOM 822 O SER A 52 58.158 -4.902 0.156 1.00 0.00 O ATOM 823 CB SER A 52 59.349 -6.968 1.997 1.00 0.00 C ATOM 824 OG SER A 52 60.729 -7.305 2.048 1.00 0.00 O ATOM 0 H SER A 52 57.648 -6.180 3.546 1.00 0.00 H new ATOM 0 HA SER A 52 60.038 -5.056 2.780 1.00 0.00 H new ATOM 0 HB2 SER A 52 58.796 -7.536 2.746 1.00 0.00 H new ATOM 0 HB3 SER A 52 58.934 -7.234 1.025 1.00 0.00 H new ATOM 0 HG SER A 52 60.837 -8.266 1.890 1.00 0.00 H new ATOM 830 N LYS A 53 60.027 -3.869 0.658 1.00 0.00 N ATOM 831 CA LYS A 53 60.001 -3.088 -0.608 1.00 0.00 C ATOM 832 C LYS A 53 61.199 -3.476 -1.472 1.00 0.00 C ATOM 833 O LYS A 53 61.245 -3.198 -2.653 1.00 0.00 O ATOM 834 CB LYS A 53 60.096 -1.625 -0.176 1.00 0.00 C ATOM 835 CG LYS A 53 59.827 -0.716 -1.376 1.00 0.00 C ATOM 836 CD LYS A 53 59.363 0.657 -0.883 1.00 0.00 C ATOM 837 CE LYS A 53 58.091 1.065 -1.628 1.00 0.00 C ATOM 838 NZ LYS A 53 57.866 2.490 -1.256 1.00 0.00 N ATOM 0 H LYS A 53 60.823 -3.679 1.267 1.00 0.00 H new ATOM 0 HA LYS A 53 59.103 -3.273 -1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.375 -1.422 0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.085 -1.420 0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 53 60.731 -0.612 -1.977 1.00 0.00 H new ATOM 0 HG3 LYS A 53 59.066 -1.160 -2.018 1.00 0.00 H new ATOM 0 HD2 LYS A 53 59.174 0.625 0.190 1.00 0.00 H new ATOM 0 HD3 LYS A 53 60.146 1.397 -1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 53 58.212 0.953 -2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 53 57.245 0.443 -1.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 56.874 2.623 -0.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 58.488 2.744 -0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 58.079 3.099 -2.071 1.00 0.00 H new ATOM 852 N GLY A 54 62.166 -4.124 -0.886 1.00 0.00 N ATOM 853 CA GLY A 54 63.360 -4.541 -1.664 1.00 0.00 C ATOM 854 C GLY A 54 64.498 -3.542 -1.454 1.00 0.00 C ATOM 855 O GLY A 54 65.347 -3.377 -2.307 1.00 0.00 O ATOM 0 H GLY A 54 62.179 -4.382 0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.677 -5.536 -1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.110 -4.603 -2.723 1.00 0.00 H new ATOM 859 N ILE A 55 64.538 -2.873 -0.330 1.00 0.00 N ATOM 860 CA ILE A 55 65.642 -1.900 -0.105 1.00 0.00 C ATOM 861 C ILE A 55 66.510 -2.368 1.064 1.00 0.00 C ATOM 862 O ILE A 55 66.081 -3.151 1.887 1.00 0.00 O ATOM 863 CB ILE A 55 64.946 -0.580 0.220 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.835 -0.328 -0.802 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.963 0.559 0.153 1.00 0.00 C ATOM 866 CD1 ILE A 55 63.072 0.942 -0.423 1.00 0.00 C ATOM 0 H ILE A 55 63.863 -2.958 0.430 1.00 0.00 H new ATOM 0 HA ILE A 55 66.300 -1.800 -0.968 1.00 0.00 H new ATOM 0 HB ILE A 55 64.518 -0.629 1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 55 64.261 -0.225 -1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.154 -1.179 -0.832 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.469 1.502 0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.759 0.379 0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.388 0.609 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 55 62.281 1.122 -1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 55 62.634 0.821 0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 55 63.757 1.790 -0.415 1.00 0.00 H new ATOM 878 N ALA A 56 67.728 -1.905 1.147 1.00 0.00 N ATOM 879 CA ALA A 56 68.607 -2.340 2.271 1.00 0.00 C ATOM 880 C ALA A 56 69.830 -1.428 2.378 1.00 0.00 C ATOM 881 O ALA A 56 70.366 -0.976 1.388 1.00 0.00 O ATOM 882 CB ALA A 56 69.031 -3.764 1.914 1.00 0.00 C ATOM 0 H ALA A 56 68.151 -1.249 0.490 1.00 0.00 H new ATOM 0 HA ALA A 56 68.096 -2.294 3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.682 -4.156 2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.147 -4.396 1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.566 -3.757 0.965 1.00 0.00 H new ATOM 888 N TYR A 57 70.282 -1.162 3.572 1.00 0.00 N ATOM 889 CA TYR A 57 71.477 -0.286 3.734 1.00 0.00 C ATOM 890 C TYR A 57 72.744 -1.139 3.680 1.00 0.00 C ATOM 891 O TYR A 57 72.768 -2.260 4.148 1.00 0.00 O ATOM 892 CB TYR A 57 71.313 0.363 5.109 1.00 0.00 C ATOM 893 CG TYR A 57 70.930 1.813 4.938 1.00 0.00 C ATOM 894 CD1 TYR A 57 71.677 2.640 4.091 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.825 2.330 5.626 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.321 3.985 3.933 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.469 3.674 5.467 1.00 0.00 C ATOM 898 CZ TYR A 57 70.216 4.502 4.620 1.00 0.00 C ATOM 899 OH TYR A 57 69.865 5.827 4.465 1.00 0.00 O ATOM 0 H TYR A 57 69.877 -1.512 4.440 1.00 0.00 H new ATOM 0 HA TYR A 57 71.560 0.465 2.948 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.548 -0.161 5.682 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.243 0.285 5.673 1.00 0.00 H new ATOM 0 HD1 TYR A 57 72.528 2.241 3.559 1.00 0.00 H new ATOM 0 HD2 TYR A 57 69.248 1.692 6.279 1.00 0.00 H new ATOM 0 HE1 TYR A 57 71.899 4.624 3.281 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.617 4.073 5.998 1.00 0.00 H new ATOM 0 HH TYR A 57 69.075 6.022 5.011 1.00 0.00 H new ATOM 909 N ILE A 58 73.793 -0.629 3.100 1.00 0.00 N ATOM 910 CA ILE A 58 75.047 -1.430 3.007 1.00 0.00 C ATOM 911 C ILE A 58 76.266 -0.545 3.282 1.00 0.00 C ATOM 912 O ILE A 58 76.545 0.387 2.554 1.00 0.00 O ATOM 913 CB ILE A 58 75.070 -1.955 1.570 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.670 -2.442 1.179 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.054 -3.120 1.466 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.731 -3.152 -0.174 1.00 0.00 C ATOM 0 H ILE A 58 73.838 0.303 2.688 1.00 0.00 H new ATOM 0 HA ILE A 58 75.078 -2.239 3.737 1.00 0.00 H new ATOM 0 HB ILE A 58 75.380 -1.153 0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.285 -3.121 1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 58 72.982 -1.598 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.069 -3.493 0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.052 -2.779 1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.744 -3.920 2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.734 -3.497 -0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 58 74.097 -2.460 -0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 58 74.405 -4.006 -0.107 1.00 0.00 H new ATOM 928 N GLU A 59 76.994 -0.832 4.326 1.00 0.00 N ATOM 929 CA GLU A 59 78.198 -0.006 4.647 1.00 0.00 C ATOM 930 C GLU A 59 79.464 -0.815 4.368 1.00 0.00 C ATOM 931 O GLU A 59 79.677 -1.865 4.941 1.00 0.00 O ATOM 932 CB GLU A 59 78.121 0.342 6.148 1.00 0.00 C ATOM 933 CG GLU A 59 76.765 -0.054 6.747 1.00 0.00 C ATOM 934 CD GLU A 59 76.491 0.789 7.993 1.00 0.00 C ATOM 935 OE1 GLU A 59 77.429 1.377 8.505 1.00 0.00 O ATOM 936 OE2 GLU A 59 75.347 0.833 8.415 1.00 0.00 O ATOM 0 H GLU A 59 76.810 -1.601 4.971 1.00 0.00 H new ATOM 0 HA GLU A 59 78.226 0.898 4.039 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.920 -0.171 6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 59 78.282 1.412 6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 59 75.974 0.096 6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 59 76.765 -1.113 7.004 1.00 0.00 H new ATOM 943 N PHE A 60 80.307 -0.341 3.494 1.00 0.00 N ATOM 944 CA PHE A 60 81.551 -1.098 3.193 1.00 0.00 C ATOM 945 C PHE A 60 82.732 -0.503 3.958 1.00 0.00 C ATOM 946 O PHE A 60 82.613 0.505 4.627 1.00 0.00 O ATOM 947 CB PHE A 60 81.767 -0.953 1.688 1.00 0.00 C ATOM 948 CG PHE A 60 80.645 -1.642 0.945 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.336 -1.158 1.043 1.00 0.00 C ATOM 950 CD2 PHE A 60 80.919 -2.768 0.159 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.299 -1.800 0.355 1.00 0.00 C ATOM 952 CE2 PHE A 60 79.882 -3.410 -0.529 1.00 0.00 C ATOM 953 CZ PHE A 60 78.573 -2.926 -0.431 1.00 0.00 C ATOM 0 H PHE A 60 80.189 0.531 2.979 1.00 0.00 H new ATOM 0 HA PHE A 60 81.469 -2.144 3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.803 0.102 1.416 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.725 -1.388 1.405 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.125 -0.289 1.649 1.00 0.00 H new ATOM 0 HD2 PHE A 60 81.930 -3.141 0.083 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.288 -1.427 0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.093 -4.279 -1.135 1.00 0.00 H new ATOM 0 HZ PHE A 60 77.773 -3.421 -0.962 1.00 0.00 H new ATOM 963 N LYS A 61 83.870 -1.126 3.864 1.00 0.00 N ATOM 964 CA LYS A 61 85.070 -0.612 4.584 1.00 0.00 C ATOM 965 C LYS A 61 85.535 0.707 3.964 1.00 0.00 C ATOM 966 O LYS A 61 86.402 1.379 4.487 1.00 0.00 O ATOM 967 CB LYS A 61 86.134 -1.696 4.402 1.00 0.00 C ATOM 968 CG LYS A 61 87.058 -1.716 5.621 1.00 0.00 C ATOM 969 CD LYS A 61 87.108 -3.131 6.202 1.00 0.00 C ATOM 970 CE LYS A 61 88.017 -4.007 5.336 1.00 0.00 C ATOM 971 NZ LYS A 61 87.487 -5.389 5.501 1.00 0.00 N ATOM 0 H LYS A 61 84.024 -1.973 3.317 1.00 0.00 H new ATOM 0 HA LYS A 61 84.867 -0.412 5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.659 -2.669 4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.712 -1.505 3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 61 88.059 -1.393 5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 61 86.699 -1.015 6.374 1.00 0.00 H new ATOM 0 HD2 LYS A 61 87.481 -3.102 7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 61 86.105 -3.556 6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 61 87.989 -3.695 4.292 1.00 0.00 H new ATOM 0 HE3 LYS A 61 89.055 -3.941 5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 88.059 -6.050 4.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 87.533 -5.661 6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 86.499 -5.423 5.178 1.00 0.00 H new ATOM 985 N SER A 62 84.964 1.082 2.854 1.00 0.00 N ATOM 986 CA SER A 62 85.372 2.358 2.201 1.00 0.00 C ATOM 987 C SER A 62 84.683 2.500 0.844 1.00 0.00 C ATOM 988 O SER A 62 84.179 1.543 0.287 1.00 0.00 O ATOM 989 CB SER A 62 86.886 2.245 2.024 1.00 0.00 C ATOM 990 OG SER A 62 87.264 0.876 2.067 1.00 0.00 O ATOM 0 H SER A 62 84.233 0.561 2.370 1.00 0.00 H new ATOM 0 HA SER A 62 85.094 3.232 2.791 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.186 2.687 1.074 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.398 2.800 2.810 1.00 0.00 H new ATOM 0 HG SER A 62 88.234 0.801 1.952 1.00 0.00 H new ATOM 996 N GLU A 63 84.656 3.687 0.305 1.00 0.00 N ATOM 997 CA GLU A 63 83.999 3.887 -1.017 1.00 0.00 C ATOM 998 C GLU A 63 84.559 2.890 -2.034 1.00 0.00 C ATOM 999 O GLU A 63 83.861 2.434 -2.916 1.00 0.00 O ATOM 1000 CB GLU A 63 84.346 5.320 -1.422 1.00 0.00 C ATOM 1001 CG GLU A 63 83.852 5.582 -2.846 1.00 0.00 C ATOM 1002 CD GLU A 63 84.934 6.321 -3.636 1.00 0.00 C ATOM 1003 OE1 GLU A 63 86.096 6.169 -3.295 1.00 0.00 O ATOM 1004 OE2 GLU A 63 84.583 7.025 -4.568 1.00 0.00 O ATOM 0 H GLU A 63 85.060 4.526 0.722 1.00 0.00 H new ATOM 0 HA GLU A 63 82.921 3.729 -0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 63 83.886 6.026 -0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 63 85.424 5.474 -1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 63 83.609 4.640 -3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 63 82.937 6.174 -2.821 1.00 0.00 H new ATOM 1011 N ALA A 64 85.811 2.545 -1.913 1.00 0.00 N ATOM 1012 CA ALA A 64 86.407 1.577 -2.870 1.00 0.00 C ATOM 1013 C ALA A 64 85.732 0.217 -2.716 1.00 0.00 C ATOM 1014 O ALA A 64 85.388 -0.431 -3.685 1.00 0.00 O ATOM 1015 CB ALA A 64 87.886 1.494 -2.489 1.00 0.00 C ATOM 0 H ALA A 64 86.445 2.892 -1.193 1.00 0.00 H new ATOM 0 HA ALA A 64 86.278 1.884 -3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.394 0.796 -3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.341 2.480 -2.581 1.00 0.00 H new ATOM 0 HB3 ALA A 64 87.978 1.147 -1.460 1.00 0.00 H new ATOM 1021 N ASP A 65 85.521 -0.214 -1.504 1.00 0.00 N ATOM 1022 CA ASP A 65 84.848 -1.524 -1.296 1.00 0.00 C ATOM 1023 C ASP A 65 83.403 -1.413 -1.772 1.00 0.00 C ATOM 1024 O ASP A 65 82.932 -2.204 -2.567 1.00 0.00 O ATOM 1025 CB ASP A 65 84.906 -1.771 0.213 1.00 0.00 C ATOM 1026 CG ASP A 65 86.219 -2.470 0.566 1.00 0.00 C ATOM 1027 OD1 ASP A 65 87.034 -2.645 -0.325 1.00 0.00 O ATOM 1028 OD2 ASP A 65 86.389 -2.820 1.723 1.00 0.00 O ATOM 0 H ASP A 65 85.784 0.282 -0.653 1.00 0.00 H new ATOM 0 HA ASP A 65 85.318 -2.339 -1.846 1.00 0.00 H new ATOM 0 HB2 ASP A 65 84.829 -0.826 0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.060 -2.384 0.525 1.00 0.00 H new ATOM 1033 N ALA A 66 82.703 -0.417 -1.304 1.00 0.00 N ATOM 1034 CA ALA A 66 81.293 -0.231 -1.740 1.00 0.00 C ATOM 1035 C ALA A 66 81.253 0.034 -3.247 1.00 0.00 C ATOM 1036 O ALA A 66 80.376 -0.432 -3.947 1.00 0.00 O ATOM 1037 CB ALA A 66 80.796 0.988 -0.964 1.00 0.00 C ATOM 0 H ALA A 66 83.047 0.275 -0.639 1.00 0.00 H new ATOM 0 HA ALA A 66 80.674 -1.108 -1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 66 79.759 1.191 -1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 66 80.863 0.790 0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.411 1.853 -1.212 1.00 0.00 H new ATOM 1043 N GLU A 67 82.206 0.773 -3.756 1.00 0.00 N ATOM 1044 CA GLU A 67 82.227 1.057 -5.215 1.00 0.00 C ATOM 1045 C GLU A 67 82.671 -0.192 -5.978 1.00 0.00 C ATOM 1046 O GLU A 67 82.127 -0.528 -7.011 1.00 0.00 O ATOM 1047 CB GLU A 67 83.245 2.185 -5.392 1.00 0.00 C ATOM 1048 CG GLU A 67 83.255 2.639 -6.852 1.00 0.00 C ATOM 1049 CD GLU A 67 84.386 1.931 -7.600 1.00 0.00 C ATOM 1050 OE1 GLU A 67 85.130 1.206 -6.960 1.00 0.00 O ATOM 1051 OE2 GLU A 67 84.491 2.125 -8.799 1.00 0.00 O ATOM 0 H GLU A 67 82.968 1.190 -3.221 1.00 0.00 H new ATOM 0 HA GLU A 67 81.246 1.339 -5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 67 82.993 3.022 -4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.238 1.842 -5.100 1.00 0.00 H new ATOM 0 HG2 GLU A 67 82.297 2.412 -7.321 1.00 0.00 H new ATOM 0 HG3 GLU A 67 83.389 3.719 -6.907 1.00 0.00 H new ATOM 1058 N LYS A 68 83.649 -0.890 -5.467 1.00 0.00 N ATOM 1059 CA LYS A 68 84.118 -2.123 -6.155 1.00 0.00 C ATOM 1060 C LYS A 68 82.972 -3.129 -6.225 1.00 0.00 C ATOM 1061 O LYS A 68 82.774 -3.795 -7.220 1.00 0.00 O ATOM 1062 CB LYS A 68 85.256 -2.661 -5.287 1.00 0.00 C ATOM 1063 CG LYS A 68 85.715 -4.017 -5.828 1.00 0.00 C ATOM 1064 CD LYS A 68 84.944 -5.136 -5.124 1.00 0.00 C ATOM 1065 CE LYS A 68 85.781 -6.417 -5.132 1.00 0.00 C ATOM 1066 NZ LYS A 68 86.815 -6.209 -4.081 1.00 0.00 N ATOM 0 H LYS A 68 84.142 -0.659 -4.604 1.00 0.00 H new ATOM 0 HA LYS A 68 84.452 -1.934 -7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.089 -1.958 -5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 68 84.922 -2.764 -4.254 1.00 0.00 H new ATOM 0 HG2 LYS A 68 85.547 -4.067 -6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 68 86.786 -4.141 -5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 68 84.715 -4.845 -4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 68 83.992 -5.308 -5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 68 85.167 -7.291 -4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 68 86.238 -6.584 -6.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 87.079 -7.126 -3.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 87.655 -5.765 -4.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 86.434 -5.591 -3.337 1.00 0.00 H new ATOM 1080 N ASN A 69 82.207 -3.234 -5.173 1.00 0.00 N ATOM 1081 CA ASN A 69 81.064 -4.185 -5.176 1.00 0.00 C ATOM 1082 C ASN A 69 79.950 -3.653 -6.081 1.00 0.00 C ATOM 1083 O ASN A 69 79.430 -4.357 -6.926 1.00 0.00 O ATOM 1084 CB ASN A 69 80.600 -4.242 -3.721 1.00 0.00 C ATOM 1085 CG ASN A 69 81.128 -5.520 -3.069 1.00 0.00 C ATOM 1086 OD1 ASN A 69 80.390 -6.462 -2.861 1.00 0.00 O ATOM 1087 ND2 ASN A 69 82.388 -5.593 -2.735 1.00 0.00 N ATOM 0 H ASN A 69 82.326 -2.701 -4.312 1.00 0.00 H new ATOM 0 HA ASN A 69 81.337 -5.171 -5.553 1.00 0.00 H new ATOM 0 HB2 ASN A 69 80.961 -3.368 -3.178 1.00 0.00 H new ATOM 0 HB3 ASN A 69 79.511 -4.220 -3.674 1.00 0.00 H new ATOM 0 HD21 ASN A 69 82.752 -6.441 -2.300 1.00 0.00 H new ATOM 0 HD22 ASN A 69 83.008 -4.802 -2.909 1.00 0.00 H new ATOM 1094 N LEU A 70 79.587 -2.408 -5.914 1.00 0.00 N ATOM 1095 CA LEU A 70 78.515 -1.822 -6.768 1.00 0.00 C ATOM 1096 C LEU A 70 78.844 -2.045 -8.242 1.00 0.00 C ATOM 1097 O LEU A 70 78.005 -2.445 -9.026 1.00 0.00 O ATOM 1098 CB LEU A 70 78.512 -0.329 -6.437 1.00 0.00 C ATOM 1099 CG LEU A 70 77.192 0.293 -6.895 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.629 1.177 -5.780 1.00 0.00 C ATOM 1101 CD2 LEU A 70 77.436 1.144 -8.142 1.00 0.00 C ATOM 0 H LEU A 70 79.987 -1.773 -5.223 1.00 0.00 H new ATOM 0 HA LEU A 70 77.542 -2.278 -6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.642 -0.183 -5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.349 0.165 -6.930 1.00 0.00 H new ATOM 0 HG LEU A 70 76.479 -0.499 -7.126 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.688 1.620 -6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.455 0.573 -4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 70 77.342 1.969 -5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 70 76.496 1.588 -8.469 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.149 1.935 -7.909 1.00 0.00 H new ATOM 0 HD23 LEU A 70 77.837 0.517 -8.938 1.00 0.00 H new ATOM 1113 N GLU A 71 80.064 -1.799 -8.621 1.00 0.00 N ATOM 1114 CA GLU A 71 80.460 -2.004 -10.042 1.00 0.00 C ATOM 1115 C GLU A 71 80.728 -3.490 -10.292 1.00 0.00 C ATOM 1116 O GLU A 71 80.407 -4.023 -11.335 1.00 0.00 O ATOM 1117 CB GLU A 71 81.739 -1.188 -10.223 1.00 0.00 C ATOM 1118 CG GLU A 71 82.894 -1.877 -9.493 1.00 0.00 C ATOM 1119 CD GLU A 71 84.163 -1.035 -9.634 1.00 0.00 C ATOM 1120 OE1 GLU A 71 84.714 -1.008 -10.722 1.00 0.00 O ATOM 1121 OE2 GLU A 71 84.561 -0.431 -8.652 1.00 0.00 O ATOM 0 H GLU A 71 80.807 -1.464 -8.008 1.00 0.00 H new ATOM 0 HA GLU A 71 79.684 -1.693 -10.741 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.973 -1.089 -11.283 1.00 0.00 H new ATOM 0 HB3 GLU A 71 81.598 -0.180 -9.832 1.00 0.00 H new ATOM 0 HG2 GLU A 71 82.646 -2.007 -8.439 1.00 0.00 H new ATOM 0 HG3 GLU A 71 83.057 -2.872 -9.907 1.00 0.00 H new ATOM 1128 N GLU A 72 81.314 -4.160 -9.338 1.00 0.00 N ATOM 1129 CA GLU A 72 81.603 -5.608 -9.512 1.00 0.00 C ATOM 1130 C GLU A 72 80.337 -6.350 -9.943 1.00 0.00 C ATOM 1131 O GLU A 72 80.334 -7.079 -10.915 1.00 0.00 O ATOM 1132 CB GLU A 72 82.067 -6.090 -8.136 1.00 0.00 C ATOM 1133 CG GLU A 72 82.043 -7.618 -8.093 1.00 0.00 C ATOM 1134 CD GLU A 72 82.458 -8.097 -6.701 1.00 0.00 C ATOM 1135 OE1 GLU A 72 83.333 -7.477 -6.119 1.00 0.00 O ATOM 1136 OE2 GLU A 72 81.893 -9.074 -6.238 1.00 0.00 O ATOM 0 H GLU A 72 81.605 -3.764 -8.444 1.00 0.00 H new ATOM 0 HA GLU A 72 82.355 -5.790 -10.280 1.00 0.00 H new ATOM 0 HB2 GLU A 72 83.074 -5.726 -7.933 1.00 0.00 H new ATOM 0 HB3 GLU A 72 81.419 -5.684 -7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 72 81.044 -7.983 -8.332 1.00 0.00 H new ATOM 0 HG3 GLU A 72 82.719 -8.024 -8.845 1.00 0.00 H new ATOM 1143 N LYS A 73 79.258 -6.171 -9.228 1.00 0.00 N ATOM 1144 CA LYS A 73 77.993 -6.870 -9.604 1.00 0.00 C ATOM 1145 C LYS A 73 76.787 -6.086 -9.086 1.00 0.00 C ATOM 1146 O LYS A 73 75.756 -6.650 -8.777 1.00 0.00 O ATOM 1147 CB LYS A 73 78.079 -8.237 -8.923 1.00 0.00 C ATOM 1148 CG LYS A 73 79.006 -9.152 -9.724 1.00 0.00 C ATOM 1149 CD LYS A 73 78.524 -9.223 -11.175 1.00 0.00 C ATOM 1150 CE LYS A 73 79.161 -10.430 -11.866 1.00 0.00 C ATOM 1151 NZ LYS A 73 78.342 -10.651 -13.091 1.00 0.00 N ATOM 0 H LYS A 73 79.197 -5.574 -8.403 1.00 0.00 H new ATOM 0 HA LYS A 73 77.874 -6.961 -10.684 1.00 0.00 H new ATOM 0 HB2 LYS A 73 78.453 -8.125 -7.905 1.00 0.00 H new ATOM 0 HB3 LYS A 73 77.086 -8.682 -8.851 1.00 0.00 H new ATOM 0 HG2 LYS A 73 80.028 -8.774 -9.687 1.00 0.00 H new ATOM 0 HG3 LYS A 73 79.019 -10.149 -9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 73 77.438 -9.305 -11.205 1.00 0.00 H new ATOM 0 HD3 LYS A 73 78.789 -8.307 -11.703 1.00 0.00 H new ATOM 0 HE2 LYS A 73 80.203 -10.235 -12.118 1.00 0.00 H new ATOM 0 HE3 LYS A 73 79.148 -11.307 -11.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 78.719 -11.464 -13.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 77.356 -10.841 -12.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 78.379 -9.802 -13.691 1.00 0.00 H new ATOM 1165 N GLN A 74 76.912 -4.789 -8.988 1.00 0.00 N ATOM 1166 CA GLN A 74 75.785 -3.954 -8.490 1.00 0.00 C ATOM 1167 C GLN A 74 75.093 -4.653 -7.319 1.00 0.00 C ATOM 1168 O GLN A 74 75.489 -4.518 -6.180 1.00 0.00 O ATOM 1169 CB GLN A 74 74.835 -3.815 -9.680 1.00 0.00 C ATOM 1170 CG GLN A 74 75.148 -2.521 -10.434 1.00 0.00 C ATOM 1171 CD GLN A 74 74.394 -1.356 -9.789 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.473 -1.563 -9.024 1.00 0.00 O ATOM 1173 NE2 GLN A 74 74.751 -0.133 -10.066 1.00 0.00 N ATOM 0 H GLN A 74 77.755 -4.270 -9.234 1.00 0.00 H new ATOM 0 HA GLN A 74 76.117 -2.982 -8.126 1.00 0.00 H new ATOM 0 HB2 GLN A 74 74.941 -4.671 -10.346 1.00 0.00 H new ATOM 0 HB3 GLN A 74 73.801 -3.806 -9.335 1.00 0.00 H new ATOM 0 HG2 GLN A 74 76.221 -2.328 -10.416 1.00 0.00 H new ATOM 0 HG3 GLN A 74 74.860 -2.619 -11.481 1.00 0.00 H new ATOM 0 HE21 GLN A 74 75.524 0.039 -10.708 1.00 0.00 H new ATOM 0 HE22 GLN A 74 74.257 0.651 -9.640 1.00 0.00 H new ATOM 1182 N GLY A 75 74.067 -5.401 -7.588 1.00 0.00 N ATOM 1183 CA GLY A 75 73.355 -6.105 -6.488 1.00 0.00 C ATOM 1184 C GLY A 75 73.372 -7.616 -6.734 1.00 0.00 C ATOM 1185 O GLY A 75 72.472 -8.326 -6.333 1.00 0.00 O ATOM 0 H GLY A 75 73.688 -5.557 -8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 75 73.830 -5.879 -5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.326 -5.750 -6.424 1.00 0.00 H new ATOM 1189 N ALA A 76 74.395 -8.110 -7.381 1.00 0.00 N ATOM 1190 CA ALA A 76 74.487 -9.578 -7.646 1.00 0.00 C ATOM 1191 C ALA A 76 73.233 -10.089 -8.366 1.00 0.00 C ATOM 1192 O ALA A 76 72.135 -10.017 -7.852 1.00 0.00 O ATOM 1193 CB ALA A 76 74.604 -10.219 -6.264 1.00 0.00 C ATOM 0 H ALA A 76 75.174 -7.558 -7.739 1.00 0.00 H new ATOM 0 HA ALA A 76 75.332 -9.820 -8.291 1.00 0.00 H new ATOM 0 HB1 ALA A 76 74.676 -11.301 -6.370 1.00 0.00 H new ATOM 0 HB2 ALA A 76 75.496 -9.843 -5.763 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.723 -9.971 -5.672 1.00 0.00 H new ATOM 1199 N GLU A 77 73.392 -10.614 -9.550 1.00 0.00 N ATOM 1200 CA GLU A 77 72.213 -11.137 -10.301 1.00 0.00 C ATOM 1201 C GLU A 77 71.470 -12.186 -9.467 1.00 0.00 C ATOM 1202 O GLU A 77 71.768 -13.362 -9.520 1.00 0.00 O ATOM 1203 CB GLU A 77 72.799 -11.774 -11.561 1.00 0.00 C ATOM 1204 CG GLU A 77 71.880 -11.492 -12.751 1.00 0.00 C ATOM 1205 CD GLU A 77 71.578 -12.801 -13.483 1.00 0.00 C ATOM 1206 OE1 GLU A 77 70.739 -13.545 -13.003 1.00 0.00 O ATOM 1207 OE2 GLU A 77 72.192 -13.037 -14.511 1.00 0.00 O ATOM 0 H GLU A 77 74.287 -10.704 -10.031 1.00 0.00 H new ATOM 0 HA GLU A 77 71.493 -10.352 -10.534 1.00 0.00 H new ATOM 0 HB2 GLU A 77 73.794 -11.374 -11.754 1.00 0.00 H new ATOM 0 HB3 GLU A 77 72.909 -12.849 -11.420 1.00 0.00 H new ATOM 0 HG2 GLU A 77 70.953 -11.033 -12.408 1.00 0.00 H new ATOM 0 HG3 GLU A 77 72.354 -10.784 -13.431 1.00 0.00 H new ATOM 1214 N ILE A 78 70.499 -11.767 -8.700 1.00 0.00 N ATOM 1215 CA ILE A 78 69.728 -12.736 -7.865 1.00 0.00 C ATOM 1216 C ILE A 78 68.231 -12.458 -8.020 1.00 0.00 C ATOM 1217 O ILE A 78 67.833 -11.575 -8.751 1.00 0.00 O ATOM 1218 CB ILE A 78 70.173 -12.479 -6.421 1.00 0.00 C ATOM 1219 CG1 ILE A 78 71.702 -12.447 -6.340 1.00 0.00 C ATOM 1220 CG2 ILE A 78 69.652 -13.596 -5.517 1.00 0.00 C ATOM 1221 CD1 ILE A 78 72.128 -11.609 -5.135 1.00 0.00 C ATOM 0 H ILE A 78 70.205 -10.794 -8.615 1.00 0.00 H new ATOM 0 HA ILE A 78 69.906 -13.771 -8.157 1.00 0.00 H new ATOM 0 HB ILE A 78 69.771 -11.519 -6.095 1.00 0.00 H new ATOM 0 HG12 ILE A 78 72.094 -13.460 -6.249 1.00 0.00 H new ATOM 0 HG13 ILE A 78 72.117 -12.025 -7.255 1.00 0.00 H new ATOM 0 HG21 ILE A 78 69.970 -13.411 -4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 78 68.563 -13.622 -5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 78 70.051 -14.553 -5.854 1.00 0.00 H new ATOM 0 HD11 ILE A 78 73.216 -11.585 -5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 78 71.748 -10.593 -5.245 1.00 0.00 H new ATOM 0 HD13 ILE A 78 71.724 -12.050 -4.224 1.00 0.00 H new ATOM 1233 N ASP A 79 67.398 -13.198 -7.343 1.00 0.00 N ATOM 1234 CA ASP A 79 65.933 -12.962 -7.464 1.00 0.00 C ATOM 1235 C ASP A 79 65.557 -12.744 -8.934 1.00 0.00 C ATOM 1236 O ASP A 79 64.597 -12.069 -9.249 1.00 0.00 O ATOM 1237 CB ASP A 79 65.658 -11.706 -6.623 1.00 0.00 C ATOM 1238 CG ASP A 79 65.938 -10.444 -7.442 1.00 0.00 C ATOM 1239 OD1 ASP A 79 65.054 -10.027 -8.170 1.00 0.00 O ATOM 1240 OD2 ASP A 79 67.032 -9.913 -7.324 1.00 0.00 O ATOM 0 H ASP A 79 67.667 -13.954 -6.713 1.00 0.00 H new ATOM 0 HA ASP A 79 65.342 -13.809 -7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 79 64.621 -11.706 -6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 79 66.283 -11.714 -5.730 1.00 0.00 H new ATOM 1245 N GLY A 80 66.308 -13.322 -9.834 1.00 0.00 N ATOM 1246 CA GLY A 80 66.005 -13.164 -11.277 1.00 0.00 C ATOM 1247 C GLY A 80 66.505 -11.806 -11.776 1.00 0.00 C ATOM 1248 O GLY A 80 66.003 -11.272 -12.745 1.00 0.00 O ATOM 0 H GLY A 80 67.122 -13.899 -9.625 1.00 0.00 H new ATOM 0 HA2 GLY A 80 66.478 -13.965 -11.845 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.931 -13.247 -11.442 1.00 0.00 H new ATOM 1252 N ARG A 81 67.491 -11.244 -11.129 1.00 0.00 N ATOM 1253 CA ARG A 81 68.020 -9.920 -11.578 1.00 0.00 C ATOM 1254 C ARG A 81 69.022 -9.377 -10.556 1.00 0.00 C ATOM 1255 O ARG A 81 68.903 -9.610 -9.370 1.00 0.00 O ATOM 1256 CB ARG A 81 66.798 -9.001 -11.668 1.00 0.00 C ATOM 1257 CG ARG A 81 65.878 -9.241 -10.470 1.00 0.00 C ATOM 1258 CD ARG A 81 64.933 -8.049 -10.303 1.00 0.00 C ATOM 1259 NE ARG A 81 63.605 -8.545 -10.760 1.00 0.00 N ATOM 1260 CZ ARG A 81 62.618 -7.707 -10.925 1.00 0.00 C ATOM 1261 NH1 ARG A 81 62.601 -6.916 -11.962 1.00 0.00 N ATOM 1262 NH2 ARG A 81 61.650 -7.660 -10.052 1.00 0.00 N ATOM 0 H ARG A 81 67.953 -11.642 -10.311 1.00 0.00 H new ATOM 0 HA ARG A 81 68.542 -9.992 -12.532 1.00 0.00 H new ATOM 0 HB2 ARG A 81 67.117 -7.959 -11.690 1.00 0.00 H new ATOM 0 HB3 ARG A 81 66.258 -9.189 -12.596 1.00 0.00 H new ATOM 0 HG2 ARG A 81 65.304 -10.156 -10.617 1.00 0.00 H new ATOM 0 HG3 ARG A 81 66.470 -9.378 -9.565 1.00 0.00 H new ATOM 0 HD2 ARG A 81 64.895 -7.717 -9.265 1.00 0.00 H new ATOM 0 HD3 ARG A 81 65.263 -7.197 -10.898 1.00 0.00 H new ATOM 0 HE ARG A 81 63.467 -9.539 -10.944 1.00 0.00 H new ATOM 0 HH11 ARG A 81 63.359 -6.952 -12.644 1.00 0.00 H new ATOM 0 HH12 ARG A 81 61.830 -6.261 -12.091 1.00 0.00 H new ATOM 0 HH21 ARG A 81 61.665 -8.278 -9.241 1.00 0.00 H new ATOM 0 HH22 ARG A 81 60.879 -7.005 -10.181 1.00 0.00 H new ATOM 1276 N SER A 82 70.007 -8.652 -11.005 1.00 0.00 N ATOM 1277 CA SER A 82 71.010 -8.095 -10.055 1.00 0.00 C ATOM 1278 C SER A 82 70.385 -6.963 -9.239 1.00 0.00 C ATOM 1279 O SER A 82 69.771 -6.066 -9.779 1.00 0.00 O ATOM 1280 CB SER A 82 72.139 -7.562 -10.935 1.00 0.00 C ATOM 1281 OG SER A 82 71.654 -7.368 -12.257 1.00 0.00 O ATOM 0 H SER A 82 70.161 -8.421 -11.986 1.00 0.00 H new ATOM 0 HA SER A 82 71.368 -8.841 -9.345 1.00 0.00 H new ATOM 0 HB2 SER A 82 72.516 -6.622 -10.532 1.00 0.00 H new ATOM 0 HB3 SER A 82 72.973 -8.264 -10.941 1.00 0.00 H new ATOM 0 HG SER A 82 72.376 -7.024 -12.823 1.00 0.00 H new ATOM 1287 N VAL A 83 70.536 -6.994 -7.943 1.00 0.00 N ATOM 1288 CA VAL A 83 69.945 -5.911 -7.109 1.00 0.00 C ATOM 1289 C VAL A 83 70.609 -4.575 -7.462 1.00 0.00 C ATOM 1290 O VAL A 83 71.697 -4.535 -8.001 1.00 0.00 O ATOM 1291 CB VAL A 83 70.220 -6.329 -5.658 1.00 0.00 C ATOM 1292 CG1 VAL A 83 70.280 -5.097 -4.753 1.00 0.00 C ATOM 1293 CG2 VAL A 83 69.093 -7.249 -5.182 1.00 0.00 C ATOM 0 H VAL A 83 71.039 -7.717 -7.429 1.00 0.00 H new ATOM 0 HA VAL A 83 68.876 -5.775 -7.273 1.00 0.00 H new ATOM 0 HB VAL A 83 71.177 -6.849 -5.611 1.00 0.00 H new ATOM 0 HG11 VAL A 83 70.476 -5.408 -3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 83 71.079 -4.436 -5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 83 69.328 -4.567 -4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 83 69.280 -7.551 -4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 83 68.142 -6.719 -5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.053 -8.134 -5.818 1.00 0.00 H new ATOM 1303 N SER A 84 69.955 -3.481 -7.184 1.00 0.00 N ATOM 1304 CA SER A 84 70.550 -2.158 -7.527 1.00 0.00 C ATOM 1305 C SER A 84 71.150 -1.497 -6.286 1.00 0.00 C ATOM 1306 O SER A 84 70.521 -1.411 -5.250 1.00 0.00 O ATOM 1307 CB SER A 84 69.387 -1.328 -8.064 1.00 0.00 C ATOM 1308 OG SER A 84 68.405 -2.195 -8.615 1.00 0.00 O ATOM 0 H SER A 84 69.039 -3.445 -6.737 1.00 0.00 H new ATOM 0 HA SER A 84 71.358 -2.251 -8.253 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.952 -0.730 -7.263 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.742 -0.633 -8.824 1.00 0.00 H new ATOM 0 HG SER A 84 67.850 -1.698 -9.252 1.00 0.00 H new ATOM 1314 N LEU A 85 72.359 -1.021 -6.388 1.00 0.00 N ATOM 1315 CA LEU A 85 72.996 -0.355 -5.219 1.00 0.00 C ATOM 1316 C LEU A 85 72.873 1.164 -5.359 1.00 0.00 C ATOM 1317 O LEU A 85 73.268 1.740 -6.354 1.00 0.00 O ATOM 1318 CB LEU A 85 74.468 -0.777 -5.265 1.00 0.00 C ATOM 1319 CG LEU A 85 74.636 -2.213 -4.758 1.00 0.00 C ATOM 1320 CD1 LEU A 85 76.108 -2.456 -4.416 1.00 0.00 C ATOM 1321 CD2 LEU A 85 73.788 -2.431 -3.500 1.00 0.00 C ATOM 0 H LEU A 85 72.933 -1.064 -7.230 1.00 0.00 H new ATOM 0 HA LEU A 85 72.526 -0.635 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.842 -0.701 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 85 75.065 -0.099 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 85 74.311 -2.906 -5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 85 76.234 -3.477 -4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 85 76.718 -2.309 -5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.422 -1.756 -3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 85 73.915 -3.455 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 85 74.107 -1.738 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 85 72.738 -2.256 -3.734 1.00 0.00 H new ATOM 1333 N TYR A 86 72.333 1.819 -4.370 1.00 0.00 N ATOM 1334 CA TYR A 86 72.189 3.300 -4.442 1.00 0.00 C ATOM 1335 C TYR A 86 73.168 3.958 -3.476 1.00 0.00 C ATOM 1336 O TYR A 86 72.938 4.007 -2.287 1.00 0.00 O ATOM 1337 CB TYR A 86 70.757 3.586 -4.004 1.00 0.00 C ATOM 1338 CG TYR A 86 69.833 3.516 -5.193 1.00 0.00 C ATOM 1339 CD1 TYR A 86 69.594 2.289 -5.822 1.00 0.00 C ATOM 1340 CD2 TYR A 86 69.212 4.678 -5.665 1.00 0.00 C ATOM 1341 CE1 TYR A 86 68.732 2.224 -6.923 1.00 0.00 C ATOM 1342 CE2 TYR A 86 68.351 4.614 -6.765 1.00 0.00 C ATOM 1343 CZ TYR A 86 68.110 3.386 -7.395 1.00 0.00 C ATOM 1344 OH TYR A 86 67.261 3.323 -8.481 1.00 0.00 O ATOM 0 H TYR A 86 71.984 1.391 -3.512 1.00 0.00 H new ATOM 0 HA TYR A 86 72.396 3.686 -5.440 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.447 2.864 -3.249 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.698 4.573 -3.544 1.00 0.00 H new ATOM 0 HD1 TYR A 86 70.074 1.393 -5.458 1.00 0.00 H new ATOM 0 HD2 TYR A 86 69.398 5.625 -5.179 1.00 0.00 H new ATOM 0 HE1 TYR A 86 68.547 1.277 -7.408 1.00 0.00 H new ATOM 0 HE2 TYR A 86 67.872 5.511 -7.129 1.00 0.00 H new ATOM 0 HH TYR A 86 66.914 4.218 -8.677 1.00 0.00 H new ATOM 1354 N TYR A 87 74.256 4.460 -3.973 1.00 0.00 N ATOM 1355 CA TYR A 87 75.243 5.106 -3.083 1.00 0.00 C ATOM 1356 C TYR A 87 74.562 6.152 -2.202 1.00 0.00 C ATOM 1357 O TYR A 87 73.353 6.278 -2.179 1.00 0.00 O ATOM 1358 CB TYR A 87 76.243 5.763 -4.025 1.00 0.00 C ATOM 1359 CG TYR A 87 77.649 5.385 -3.619 1.00 0.00 C ATOM 1360 CD1 TYR A 87 78.231 4.216 -4.124 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.368 6.202 -2.738 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.532 3.864 -3.749 1.00 0.00 C ATOM 1363 CE2 TYR A 87 79.670 5.850 -2.364 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.253 4.681 -2.870 1.00 0.00 C ATOM 1365 OH TYR A 87 81.536 4.334 -2.501 1.00 0.00 O ATOM 0 H TYR A 87 74.504 4.450 -4.962 1.00 0.00 H new ATOM 0 HA TYR A 87 75.721 4.395 -2.409 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.053 5.447 -5.051 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.125 6.846 -3.998 1.00 0.00 H new ATOM 0 HD1 TYR A 87 77.676 3.586 -4.803 1.00 0.00 H new ATOM 0 HD2 TYR A 87 77.918 7.103 -2.347 1.00 0.00 H new ATOM 0 HE1 TYR A 87 79.980 2.962 -4.138 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.225 6.480 -1.685 1.00 0.00 H new ATOM 0 HH TYR A 87 81.748 4.739 -1.634 1.00 0.00 H new ATOM 1375 N THR A 88 75.333 6.900 -1.475 1.00 0.00 N ATOM 1376 CA THR A 88 74.751 7.938 -0.584 1.00 0.00 C ATOM 1377 C THR A 88 75.075 9.340 -1.105 1.00 0.00 C ATOM 1378 O THR A 88 74.652 9.734 -2.174 1.00 0.00 O ATOM 1379 CB THR A 88 75.395 7.672 0.779 1.00 0.00 C ATOM 1380 OG1 THR A 88 76.804 7.584 0.623 1.00 0.00 O ATOM 1381 CG2 THR A 88 74.861 6.357 1.350 1.00 0.00 C ATOM 0 H THR A 88 76.351 6.838 -1.458 1.00 0.00 H new ATOM 0 HA THR A 88 73.663 7.891 -0.532 1.00 0.00 H new ATOM 0 HB THR A 88 75.153 8.486 1.462 1.00 0.00 H new ATOM 0 HG1 THR A 88 77.238 8.267 1.176 1.00 0.00 H new ATOM 0 HG21 THR A 88 75.320 6.169 2.320 1.00 0.00 H new ATOM 0 HG22 THR A 88 73.779 6.424 1.467 1.00 0.00 H new ATOM 0 HG23 THR A 88 75.102 5.540 0.670 1.00 0.00 H new ATOM 1389 N GLY A 89 75.806 10.096 -0.349 1.00 0.00 N ATOM 1390 CA GLY A 89 76.154 11.486 -0.769 1.00 0.00 C ATOM 1391 C GLY A 89 77.002 11.476 -2.032 1.00 0.00 C ATOM 1392 O GLY A 89 77.231 12.495 -2.655 1.00 0.00 O ATOM 0 H GLY A 89 76.186 9.813 0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 89 75.242 12.056 -0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 89 76.695 11.988 0.033 1.00 0.00 H new ATOM 1396 N GLU A 90 77.461 10.339 -2.405 1.00 0.00 N ATOM 1397 CA GLU A 90 78.303 10.232 -3.633 1.00 0.00 C ATOM 1398 C GLU A 90 77.438 10.394 -4.886 1.00 0.00 C ATOM 1399 O GLU A 90 77.862 10.956 -5.876 1.00 0.00 O ATOM 1400 CB GLU A 90 78.910 8.831 -3.581 1.00 0.00 C ATOM 1401 CG GLU A 90 80.241 8.823 -4.337 1.00 0.00 C ATOM 1402 CD GLU A 90 80.011 8.336 -5.770 1.00 0.00 C ATOM 1403 OE1 GLU A 90 79.061 7.600 -5.978 1.00 0.00 O ATOM 1404 OE2 GLU A 90 80.789 8.708 -6.633 1.00 0.00 O ATOM 0 H GLU A 90 77.296 9.459 -1.917 1.00 0.00 H new ATOM 0 HA GLU A 90 79.069 11.006 -3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 90 79.066 8.529 -2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 90 78.224 8.109 -4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 90 80.672 9.824 -4.347 1.00 0.00 H new ATOM 0 HG3 GLU A 90 80.955 8.173 -3.831 1.00 0.00 H new ATOM 1411 N LYS A 91 76.229 9.904 -4.852 1.00 0.00 N ATOM 1412 CA LYS A 91 75.340 10.029 -6.043 1.00 0.00 C ATOM 1413 C LYS A 91 74.111 10.875 -5.701 1.00 0.00 C ATOM 1414 O LYS A 91 73.519 11.503 -6.557 1.00 0.00 O ATOM 1415 CB LYS A 91 74.928 8.596 -6.380 1.00 0.00 C ATOM 1416 CG LYS A 91 74.504 8.517 -7.848 1.00 0.00 C ATOM 1417 CD LYS A 91 74.221 7.061 -8.222 1.00 0.00 C ATOM 1418 CE LYS A 91 74.368 6.883 -9.735 1.00 0.00 C ATOM 1419 NZ LYS A 91 74.500 5.413 -9.936 1.00 0.00 N ATOM 0 H LYS A 91 75.818 9.423 -4.052 1.00 0.00 H new ATOM 0 HA LYS A 91 75.838 10.518 -6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 91 75.758 7.915 -6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 91 74.107 8.282 -5.736 1.00 0.00 H new ATOM 0 HG2 LYS A 91 73.615 9.125 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 91 75.290 8.921 -8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 91 74.912 6.400 -7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 91 73.215 6.783 -7.909 1.00 0.00 H new ATOM 0 HE2 LYS A 91 73.502 7.278 -10.265 1.00 0.00 H new ATOM 0 HE3 LYS A 91 75.242 7.414 -10.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 74.605 5.209 -10.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 75.337 5.066 -9.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 73.650 4.935 -9.573 1.00 0.00 H new ATOM 1433 N GLY A 92 73.720 10.896 -4.456 1.00 0.00 N ATOM 1434 CA GLY A 92 72.529 11.701 -4.060 1.00 0.00 C ATOM 1435 C GLY A 92 72.598 13.078 -4.721 1.00 0.00 C ATOM 1436 O GLY A 92 73.619 13.475 -5.248 1.00 0.00 O ATOM 0 H GLY A 92 74.174 10.390 -3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 92 71.615 11.188 -4.359 1.00 0.00 H new ATOM 0 HA3 GLY A 92 72.494 11.808 -2.976 1.00 0.00 H new ATOM 1440 N GLY A 93 71.519 13.812 -4.699 1.00 0.00 N ATOM 1441 CA GLY A 93 71.524 15.164 -5.326 1.00 0.00 C ATOM 1442 C GLY A 93 71.923 16.211 -4.284 1.00 0.00 C ATOM 1443 O GLY A 93 72.645 15.925 -3.350 1.00 0.00 O ATOM 0 H GLY A 93 70.634 13.534 -4.274 1.00 0.00 H new ATOM 0 HA2 GLY A 93 72.222 15.185 -6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 93 70.537 15.393 -5.728 1.00 0.00 H new ATOM 1447 N THR A 94 71.458 17.420 -4.437 1.00 0.00 N ATOM 1448 CA THR A 94 71.813 18.485 -3.454 1.00 0.00 C ATOM 1449 C THR A 94 70.568 18.922 -2.674 1.00 0.00 C ATOM 1450 O THR A 94 70.575 18.982 -1.461 1.00 0.00 O ATOM 1451 CB THR A 94 72.350 19.641 -4.299 1.00 0.00 C ATOM 1452 OG1 THR A 94 73.577 19.255 -4.901 1.00 0.00 O ATOM 1453 CG2 THR A 94 72.578 20.863 -3.408 1.00 0.00 C ATOM 0 H THR A 94 70.848 17.717 -5.199 1.00 0.00 H new ATOM 0 HA THR A 94 72.543 18.143 -2.720 1.00 0.00 H new ATOM 0 HB THR A 94 71.627 19.891 -5.076 1.00 0.00 H new ATOM 0 HG1 THR A 94 73.922 19.994 -5.444 1.00 0.00 H new ATOM 0 HG21 THR A 94 72.961 21.687 -4.011 1.00 0.00 H new ATOM 0 HG22 THR A 94 71.635 21.158 -2.947 1.00 0.00 H new ATOM 0 HG23 THR A 94 73.301 20.616 -2.630 1.00 0.00 H new ATOM 1461 N ARG A 95 69.499 19.222 -3.365 1.00 0.00 N ATOM 1462 CA ARG A 95 68.251 19.649 -2.677 1.00 0.00 C ATOM 1463 C ARG A 95 67.273 20.254 -3.688 1.00 0.00 C ATOM 1464 O ARG A 95 66.808 21.364 -3.528 1.00 0.00 O ATOM 1465 CB ARG A 95 68.682 20.702 -1.653 1.00 0.00 C ATOM 1466 CG ARG A 95 68.451 20.165 -0.239 1.00 0.00 C ATOM 1467 CD ARG A 95 69.292 20.966 0.756 1.00 0.00 C ATOM 1468 NE ARG A 95 68.433 21.099 1.965 1.00 0.00 N ATOM 1469 CZ ARG A 95 68.828 21.833 2.969 1.00 0.00 C ATOM 1470 NH1 ARG A 95 70.072 22.220 3.045 1.00 0.00 N ATOM 1471 NH2 ARG A 95 67.980 22.180 3.897 1.00 0.00 N ATOM 0 H ARG A 95 69.440 19.188 -4.383 1.00 0.00 H new ATOM 0 HA ARG A 95 67.744 18.811 -2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 95 69.734 20.950 -1.792 1.00 0.00 H new ATOM 0 HB3 ARG A 95 68.116 21.622 -1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 95 67.395 20.237 0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 95 68.719 19.110 -0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 95 70.225 20.452 0.989 1.00 0.00 H new ATOM 0 HD3 ARG A 95 69.559 21.942 0.352 1.00 0.00 H new ATOM 0 HE ARG A 95 67.536 20.616 2.008 1.00 0.00 H new ATOM 0 HH11 ARG A 95 70.736 21.949 2.320 1.00 0.00 H new ATOM 0 HH12 ARG A 95 70.381 22.794 3.830 1.00 0.00 H new ATOM 0 HH21 ARG A 95 67.008 21.878 3.838 1.00 0.00 H new ATOM 0 HH22 ARG A 95 68.289 22.754 4.682 1.00 0.00 H new ATOM 1485 N GLY A 96 66.960 19.533 -4.729 1.00 0.00 N ATOM 1486 CA GLY A 96 66.015 20.068 -5.750 1.00 0.00 C ATOM 1487 C GLY A 96 65.707 18.980 -6.780 1.00 0.00 C ATOM 1488 O GLY A 96 64.571 18.914 -7.221 1.00 0.00 O ATOM 1489 OXT GLY A 96 66.612 18.233 -7.113 1.00 0.00 O ATOM 0 H GLY A 96 67.318 18.596 -4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 96 65.094 20.400 -5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 96 66.450 20.938 -6.243 1.00 0.00 H new TER 1493 GLY A 96