USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 473 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ -167:sc= 0 (180deg=-0.201) USER MOD Single : A 4 SER OG : rot -100:sc= 0.887 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -146:sc= -0.107 (180deg=-0.849) USER MOD Single : A 17 SER OG : rot 61:sc= -0.0781! USER MOD Single : A 18 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.11) USER MOD Single : A 21 GLN : amide:sc= -1.74! C(o=-1.7!,f=-3!) USER MOD Single : A 25 SER OG : rot 180:sc= -0.306 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.49! C(o=-2.5!,f=-2.5!) USER MOD Single : A 31 SER OG : rot -26:sc= 0.177! USER MOD Single : A 33 HIS : no HD1:sc= -4.61! C(o=-4.6!,f=-6.2!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0367 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 72:sc= 0.586 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 55 THR OG1 : rot 140:sc= 0.713! USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 54:sc= 1.11 USER MOD Single : A 69 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.498) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.758 F(o=-3.4!,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 7.005 3.667 -8.950 1.00 0.00 N ATOM 2 CA ASP A 1 8.110 3.237 -8.059 1.00 0.00 C ATOM 3 C ASP A 1 9.194 2.540 -8.869 1.00 0.00 C ATOM 4 O ASP A 1 8.908 1.821 -9.806 1.00 0.00 O ATOM 5 CB ASP A 1 7.582 2.250 -7.007 1.00 0.00 C ATOM 6 CG ASP A 1 6.455 2.912 -6.211 1.00 0.00 C ATOM 7 OD1 ASP A 1 6.788 3.772 -5.415 1.00 0.00 O ATOM 8 OD2 ASP A 1 5.324 2.517 -6.446 1.00 0.00 O ATOM 0 H1 ASP A 1 6.383 4.326 -8.439 1.00 0.00 H new ATOM 0 H2 ASP A 1 7.399 4.142 -9.787 1.00 0.00 H new ATOM 0 H3 ASP A 1 6.457 2.835 -9.249 1.00 0.00 H new ATOM 0 HA ASP A 1 8.521 4.121 -7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 1 7.217 1.345 -7.492 1.00 0.00 H new ATOM 0 HB3 ASP A 1 8.388 1.950 -6.337 1.00 0.00 H new ATOM 15 N ASP A 2 10.424 2.767 -8.493 1.00 0.00 N ATOM 16 CA ASP A 2 11.549 2.128 -9.225 1.00 0.00 C ATOM 17 C ASP A 2 12.644 1.703 -8.257 1.00 0.00 C ATOM 18 O ASP A 2 12.840 2.322 -7.230 1.00 0.00 O ATOM 19 CB ASP A 2 12.127 3.151 -10.212 1.00 0.00 C ATOM 20 CG ASP A 2 13.609 3.371 -9.898 1.00 0.00 C ATOM 21 OD1 ASP A 2 13.864 4.236 -9.076 1.00 0.00 O ATOM 22 OD2 ASP A 2 14.399 2.664 -10.498 1.00 0.00 O ATOM 0 H ASP A 2 10.695 3.366 -7.713 1.00 0.00 H new ATOM 0 HA ASP A 2 11.183 1.245 -9.749 1.00 0.00 H new ATOM 0 HB2 ASP A 2 12.009 2.794 -11.235 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.583 4.093 -10.138 1.00 0.00 H new ATOM 27 N GLU A 3 13.341 0.652 -8.603 1.00 0.00 N ATOM 28 CA GLU A 3 14.428 0.173 -7.713 1.00 0.00 C ATOM 29 C GLU A 3 15.781 0.717 -8.158 1.00 0.00 C ATOM 30 O GLU A 3 16.623 -0.017 -8.637 1.00 0.00 O ATOM 31 CB GLU A 3 14.465 -1.362 -7.776 1.00 0.00 C ATOM 32 CG GLU A 3 14.272 -1.813 -9.224 1.00 0.00 C ATOM 33 CD GLU A 3 15.051 -3.109 -9.456 1.00 0.00 C ATOM 34 OE1 GLU A 3 16.233 -3.090 -9.155 1.00 0.00 O ATOM 35 OE2 GLU A 3 14.421 -4.043 -9.923 1.00 0.00 O ATOM 0 H GLU A 3 13.203 0.112 -9.457 1.00 0.00 H new ATOM 0 HA GLU A 3 14.233 0.520 -6.698 1.00 0.00 H new ATOM 0 HB2 GLU A 3 15.416 -1.730 -7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 3 13.682 -1.782 -7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 3 13.213 -1.969 -9.431 1.00 0.00 H new ATOM 0 HG3 GLU A 3 14.619 -1.039 -9.908 1.00 0.00 H new ATOM 42 N SER A 4 15.965 1.999 -7.992 1.00 0.00 N ATOM 43 CA SER A 4 17.252 2.610 -8.397 1.00 0.00 C ATOM 44 C SER A 4 18.273 2.486 -7.281 1.00 0.00 C ATOM 45 O SER A 4 18.889 1.454 -7.107 1.00 0.00 O ATOM 46 CB SER A 4 17.009 4.100 -8.680 1.00 0.00 C ATOM 47 OG SER A 4 16.259 4.547 -7.561 1.00 0.00 O ATOM 0 H SER A 4 15.280 2.643 -7.595 1.00 0.00 H new ATOM 0 HA SER A 4 17.632 2.099 -9.282 1.00 0.00 H new ATOM 0 HB2 SER A 4 17.948 4.646 -8.775 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.461 4.245 -9.611 1.00 0.00 H new ATOM 0 HG SER A 4 15.309 4.584 -7.798 1.00 0.00 H new ATOM 53 N SER A 5 18.430 3.541 -6.547 1.00 0.00 N ATOM 54 CA SER A 5 19.405 3.516 -5.431 1.00 0.00 C ATOM 55 C SER A 5 18.855 2.711 -4.256 1.00 0.00 C ATOM 56 O SER A 5 19.132 3.009 -3.111 1.00 0.00 O ATOM 57 CB SER A 5 19.651 4.962 -4.973 1.00 0.00 C ATOM 58 OG SER A 5 21.053 5.025 -4.755 1.00 0.00 O ATOM 0 H SER A 5 17.927 4.420 -6.669 1.00 0.00 H new ATOM 0 HA SER A 5 20.331 3.051 -5.771 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.333 5.679 -5.730 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.096 5.192 -4.063 1.00 0.00 H new ATOM 0 HG SER A 5 21.298 5.926 -4.458 1.00 0.00 H new ATOM 64 N LYS A 6 18.082 1.704 -4.562 1.00 0.00 N ATOM 65 CA LYS A 6 17.508 0.873 -3.481 1.00 0.00 C ATOM 66 C LYS A 6 18.631 0.396 -2.516 1.00 0.00 C ATOM 67 O LYS A 6 19.660 -0.060 -2.972 1.00 0.00 O ATOM 68 CB LYS A 6 16.864 -0.362 -4.131 1.00 0.00 C ATOM 69 CG LYS A 6 16.062 -1.130 -3.079 1.00 0.00 C ATOM 70 CD LYS A 6 15.511 -2.410 -3.714 1.00 0.00 C ATOM 71 CE LYS A 6 14.421 -2.992 -2.812 1.00 0.00 C ATOM 72 NZ LYS A 6 14.143 -4.406 -3.187 1.00 0.00 N ATOM 0 H LYS A 6 17.828 1.427 -5.510 1.00 0.00 H new ATOM 0 HA LYS A 6 16.777 1.453 -2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.212 -0.057 -4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.634 -1.005 -4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 6 16.695 -1.374 -2.226 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.245 -0.514 -2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 6 15.105 -2.194 -4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 6 16.312 -3.136 -3.851 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.735 -2.940 -1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.511 -2.399 -2.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.401 -4.790 -2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.823 -4.447 -4.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.010 -4.970 -3.080 1.00 0.00 H new ATOM 86 N PRO A 7 18.430 0.505 -1.192 1.00 0.00 N ATOM 87 CA PRO A 7 19.460 0.068 -0.237 1.00 0.00 C ATOM 88 C PRO A 7 19.710 -1.439 -0.321 1.00 0.00 C ATOM 89 O PRO A 7 18.784 -2.225 -0.279 1.00 0.00 O ATOM 90 CB PRO A 7 18.882 0.402 1.151 1.00 0.00 C ATOM 91 CG PRO A 7 17.430 0.909 0.945 1.00 0.00 C ATOM 92 CD PRO A 7 17.206 1.057 -0.565 1.00 0.00 C ATOM 0 HA PRO A 7 20.411 0.559 -0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 7 18.892 -0.479 1.792 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.487 1.163 1.645 1.00 0.00 H new ATOM 0 HG2 PRO A 7 16.714 0.207 1.372 1.00 0.00 H new ATOM 0 HG3 PRO A 7 17.281 1.863 1.450 1.00 0.00 H new ATOM 0 HD2 PRO A 7 16.318 0.513 -0.887 1.00 0.00 H new ATOM 0 HD3 PRO A 7 17.058 2.101 -0.841 1.00 0.00 H new ATOM 100 N CYS A 8 20.966 -1.804 -0.440 1.00 0.00 N ATOM 101 CA CYS A 8 21.320 -3.248 -0.525 1.00 0.00 C ATOM 102 C CYS A 8 22.305 -3.606 0.576 1.00 0.00 C ATOM 103 O CYS A 8 22.367 -2.934 1.586 1.00 0.00 O ATOM 104 CB CYS A 8 21.935 -3.526 -1.903 1.00 0.00 C ATOM 105 SG CYS A 8 23.290 -2.475 -2.468 1.00 0.00 S ATOM 0 H CYS A 8 21.757 -1.161 -0.481 1.00 0.00 H new ATOM 0 HA CYS A 8 20.426 -3.858 -0.396 1.00 0.00 H new ATOM 0 HB2 CYS A 8 22.291 -4.556 -1.906 1.00 0.00 H new ATOM 0 HB3 CYS A 8 21.136 -3.463 -2.642 1.00 0.00 H new ATOM 110 N CYS A 9 23.058 -4.646 0.382 1.00 0.00 N ATOM 111 CA CYS A 9 24.031 -5.018 1.461 1.00 0.00 C ATOM 112 C CYS A 9 25.137 -5.964 0.991 1.00 0.00 C ATOM 113 O CYS A 9 25.412 -6.085 -0.170 1.00 0.00 O ATOM 114 CB CYS A 9 23.232 -5.731 2.554 1.00 0.00 C ATOM 115 SG CYS A 9 23.437 -5.139 4.237 1.00 0.00 S ATOM 0 H CYS A 9 23.052 -5.243 -0.445 1.00 0.00 H new ATOM 0 HA CYS A 9 24.520 -4.105 1.802 1.00 0.00 H new ATOM 0 HB2 CYS A 9 22.175 -5.663 2.298 1.00 0.00 H new ATOM 0 HB3 CYS A 9 23.498 -6.788 2.533 1.00 0.00 H new ATOM 120 N ASP A 10 25.776 -6.589 1.933 1.00 0.00 N ATOM 121 CA ASP A 10 26.862 -7.529 1.576 1.00 0.00 C ATOM 122 C ASP A 10 26.881 -8.679 2.565 1.00 0.00 C ATOM 123 O ASP A 10 27.008 -9.830 2.193 1.00 0.00 O ATOM 124 CB ASP A 10 28.203 -6.784 1.646 1.00 0.00 C ATOM 125 CG ASP A 10 27.969 -5.296 1.383 1.00 0.00 C ATOM 126 OD1 ASP A 10 27.430 -4.666 2.278 1.00 0.00 O ATOM 127 OD2 ASP A 10 28.343 -4.873 0.302 1.00 0.00 O ATOM 0 H ASP A 10 25.593 -6.489 2.931 1.00 0.00 H new ATOM 0 HA ASP A 10 26.699 -7.917 0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 10 28.659 -6.924 2.626 1.00 0.00 H new ATOM 0 HB3 ASP A 10 28.897 -7.190 0.910 1.00 0.00 H new ATOM 132 N GLN A 11 26.753 -8.333 3.812 1.00 0.00 N ATOM 133 CA GLN A 11 26.753 -9.359 4.879 1.00 0.00 C ATOM 134 C GLN A 11 25.638 -9.061 5.861 1.00 0.00 C ATOM 135 O GLN A 11 25.535 -7.958 6.361 1.00 0.00 O ATOM 136 CB GLN A 11 28.088 -9.298 5.621 1.00 0.00 C ATOM 137 CG GLN A 11 29.181 -9.917 4.748 1.00 0.00 C ATOM 138 CD GLN A 11 29.443 -11.352 5.211 1.00 0.00 C ATOM 139 OE1 GLN A 11 28.456 -12.208 5.218 1.00 0.00 O flip ATOM 140 NE2 GLN A 11 30.548 -11.707 5.571 1.00 0.00 N flip ATOM 0 H GLN A 11 26.647 -7.372 4.138 1.00 0.00 H new ATOM 0 HA GLN A 11 26.607 -10.346 4.441 1.00 0.00 H new ATOM 0 HB2 GLN A 11 28.338 -8.264 5.858 1.00 0.00 H new ATOM 0 HB3 GLN A 11 28.016 -9.834 6.568 1.00 0.00 H new ATOM 0 HG2 GLN A 11 28.875 -9.910 3.702 1.00 0.00 H new ATOM 0 HG3 GLN A 11 30.095 -9.327 4.817 1.00 0.00 H new ATOM 0 HE21 GLN A 11 31.323 -11.044 5.568 1.00 0.00 H new ATOM 0 HE22 GLN A 11 30.701 -12.668 5.876 1.00 0.00 H new ATOM 149 N CYS A 12 24.826 -10.046 6.119 1.00 0.00 N ATOM 150 CA CYS A 12 23.701 -9.843 7.070 1.00 0.00 C ATOM 151 C CYS A 12 23.890 -10.655 8.345 1.00 0.00 C ATOM 152 O CYS A 12 24.661 -11.593 8.386 1.00 0.00 O ATOM 153 CB CYS A 12 22.402 -10.305 6.392 1.00 0.00 C ATOM 154 SG CYS A 12 20.992 -10.666 7.471 1.00 0.00 S ATOM 0 H CYS A 12 24.892 -10.980 5.714 1.00 0.00 H new ATOM 0 HA CYS A 12 23.663 -8.787 7.336 1.00 0.00 H new ATOM 0 HB2 CYS A 12 22.097 -9.535 5.684 1.00 0.00 H new ATOM 0 HB3 CYS A 12 22.623 -11.201 5.813 1.00 0.00 H new ATOM 159 N ALA A 13 23.179 -10.266 9.364 1.00 0.00 N ATOM 160 CA ALA A 13 23.275 -10.981 10.664 1.00 0.00 C ATOM 161 C ALA A 13 22.049 -10.665 11.509 1.00 0.00 C ATOM 162 O ALA A 13 21.911 -9.556 11.991 1.00 0.00 O ATOM 163 CB ALA A 13 24.522 -10.478 11.400 1.00 0.00 C ATOM 0 H ALA A 13 22.531 -9.478 9.352 1.00 0.00 H new ATOM 0 HA ALA A 13 23.335 -12.056 10.494 1.00 0.00 H new ATOM 0 HB1 ALA A 13 24.611 -10.991 12.358 1.00 0.00 H new ATOM 0 HB2 ALA A 13 25.407 -10.680 10.797 1.00 0.00 H new ATOM 0 HB3 ALA A 13 24.436 -9.405 11.570 1.00 0.00 H new ATOM 169 N CYS A 14 21.177 -11.638 11.679 1.00 0.00 N ATOM 170 CA CYS A 14 19.971 -11.397 12.483 1.00 0.00 C ATOM 171 C CYS A 14 19.953 -12.181 13.777 1.00 0.00 C ATOM 172 O CYS A 14 20.659 -13.157 13.936 1.00 0.00 O ATOM 173 CB CYS A 14 18.776 -11.824 11.643 1.00 0.00 C ATOM 174 SG CYS A 14 18.343 -10.792 10.217 1.00 0.00 S ATOM 0 H CYS A 14 21.264 -12.577 11.291 1.00 0.00 H new ATOM 0 HA CYS A 14 19.945 -10.341 12.751 1.00 0.00 H new ATOM 0 HB2 CYS A 14 18.963 -12.835 11.282 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.906 -11.875 12.298 1.00 0.00 H new ATOM 179 N THR A 15 19.131 -11.711 14.683 1.00 0.00 N ATOM 180 CA THR A 15 19.005 -12.376 15.997 1.00 0.00 C ATOM 181 C THR A 15 17.545 -12.726 16.242 1.00 0.00 C ATOM 182 O THR A 15 16.702 -11.853 16.351 1.00 0.00 O ATOM 183 CB THR A 15 19.490 -11.404 17.084 1.00 0.00 C ATOM 184 OG1 THR A 15 20.815 -11.804 17.373 1.00 0.00 O ATOM 185 CG2 THR A 15 18.731 -11.616 18.403 1.00 0.00 C ATOM 0 H THR A 15 18.541 -10.888 14.558 1.00 0.00 H new ATOM 0 HA THR A 15 19.603 -13.287 16.019 1.00 0.00 H new ATOM 0 HB THR A 15 19.366 -10.378 16.738 1.00 0.00 H new ATOM 0 HG1 THR A 15 21.190 -11.219 18.064 1.00 0.00 H new ATOM 0 HG21 THR A 15 19.098 -10.913 19.151 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.666 -11.450 18.241 1.00 0.00 H new ATOM 0 HG23 THR A 15 18.890 -12.635 18.754 1.00 0.00 H new ATOM 193 N LYS A 16 17.266 -13.996 16.301 1.00 0.00 N ATOM 194 CA LYS A 16 15.869 -14.424 16.534 1.00 0.00 C ATOM 195 C LYS A 16 15.417 -14.092 17.950 1.00 0.00 C ATOM 196 O LYS A 16 15.599 -14.875 18.863 1.00 0.00 O ATOM 197 CB LYS A 16 15.791 -15.941 16.324 1.00 0.00 C ATOM 198 CG LYS A 16 15.152 -16.222 14.962 1.00 0.00 C ATOM 199 CD LYS A 16 15.211 -17.725 14.672 1.00 0.00 C ATOM 200 CE LYS A 16 16.020 -17.958 13.394 1.00 0.00 C ATOM 201 NZ LYS A 16 15.410 -17.226 12.249 1.00 0.00 N ATOM 0 H LYS A 16 17.944 -14.751 16.198 1.00 0.00 H new ATOM 0 HA LYS A 16 15.216 -13.896 15.839 1.00 0.00 H new ATOM 0 HB2 LYS A 16 16.788 -16.379 16.370 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.203 -16.402 17.118 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.117 -15.880 14.956 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.675 -15.669 14.182 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.670 -18.251 15.509 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.204 -18.126 14.557 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.047 -17.624 13.541 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.060 -19.024 13.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.542 -17.775 11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.393 -17.093 12.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.868 -16.298 12.147 1.00 0.00 H new ATOM 215 N SER A 17 14.839 -12.927 18.099 1.00 0.00 N ATOM 216 CA SER A 17 14.356 -12.498 19.439 1.00 0.00 C ATOM 217 C SER A 17 12.904 -12.043 19.349 1.00 0.00 C ATOM 218 O SER A 17 12.285 -12.156 18.310 1.00 0.00 O ATOM 219 CB SER A 17 15.220 -11.320 19.915 1.00 0.00 C ATOM 220 OG SER A 17 14.645 -10.943 21.157 1.00 0.00 O ATOM 0 H SER A 17 14.682 -12.256 17.347 1.00 0.00 H new ATOM 0 HA SER A 17 14.426 -13.332 20.137 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.263 -11.614 20.032 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.199 -10.497 19.201 1.00 0.00 H new ATOM 0 HG SER A 17 14.696 -11.695 21.783 1.00 0.00 H new ATOM 226 N ASN A 18 12.391 -11.536 20.441 1.00 0.00 N ATOM 227 CA ASN A 18 10.981 -11.067 20.450 1.00 0.00 C ATOM 228 C ASN A 18 10.869 -9.638 21.043 1.00 0.00 C ATOM 229 O ASN A 18 10.828 -9.493 22.248 1.00 0.00 O ATOM 230 CB ASN A 18 10.189 -12.019 21.361 1.00 0.00 C ATOM 231 CG ASN A 18 8.795 -11.444 21.609 1.00 0.00 C ATOM 232 OD1 ASN A 18 8.407 -11.183 22.731 1.00 0.00 O ATOM 233 ND2 ASN A 18 8.011 -11.235 20.590 1.00 0.00 N ATOM 0 H ASN A 18 12.890 -11.428 21.324 1.00 0.00 H new ATOM 0 HA ASN A 18 10.600 -11.053 19.429 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.111 -13.002 20.897 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.712 -12.153 22.308 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.076 -10.854 20.736 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.332 -11.452 19.647 1.00 0.00 H new ATOM 240 N PRO A 19 10.817 -8.585 20.201 1.00 0.00 N ATOM 241 CA PRO A 19 10.866 -8.666 18.720 1.00 0.00 C ATOM 242 C PRO A 19 12.275 -9.053 18.218 1.00 0.00 C ATOM 243 O PRO A 19 13.235 -8.977 18.959 1.00 0.00 O ATOM 244 CB PRO A 19 10.560 -7.228 18.248 1.00 0.00 C ATOM 245 CG PRO A 19 10.497 -6.320 19.506 1.00 0.00 C ATOM 246 CD PRO A 19 10.682 -7.221 20.733 1.00 0.00 C ATOM 0 HA PRO A 19 10.171 -9.417 18.345 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.332 -6.878 17.563 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.615 -7.197 17.706 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.276 -5.558 19.469 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.542 -5.797 19.554 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.566 -6.932 21.302 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.829 -7.145 21.408 1.00 0.00 H new ATOM 254 N PRO A 20 12.373 -9.463 16.955 1.00 0.00 N ATOM 255 CA PRO A 20 13.666 -9.852 16.372 1.00 0.00 C ATOM 256 C PRO A 20 14.538 -8.630 16.096 1.00 0.00 C ATOM 257 O PRO A 20 14.135 -7.506 16.321 1.00 0.00 O ATOM 258 CB PRO A 20 13.302 -10.497 15.021 1.00 0.00 C ATOM 259 CG PRO A 20 11.815 -10.151 14.735 1.00 0.00 C ATOM 260 CD PRO A 20 11.219 -9.605 16.040 1.00 0.00 C ATOM 0 HA PRO A 20 14.219 -10.509 17.044 1.00 0.00 H new ATOM 0 HB2 PRO A 20 13.945 -10.117 14.227 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.446 -11.577 15.059 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.738 -9.412 13.938 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.271 -11.035 14.403 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.723 -8.648 15.878 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.472 -10.286 16.449 1.00 0.00 H new ATOM 268 N GLN A 21 15.717 -8.883 15.613 1.00 0.00 N ATOM 269 CA GLN A 21 16.650 -7.773 15.302 1.00 0.00 C ATOM 270 C GLN A 21 17.445 -8.157 14.071 1.00 0.00 C ATOM 271 O GLN A 21 17.839 -9.301 13.941 1.00 0.00 O ATOM 272 CB GLN A 21 17.610 -7.578 16.487 1.00 0.00 C ATOM 273 CG GLN A 21 18.767 -6.674 16.051 1.00 0.00 C ATOM 274 CD GLN A 21 19.285 -5.887 17.259 1.00 0.00 C ATOM 275 OE1 GLN A 21 18.624 -5.003 17.768 1.00 0.00 O ATOM 276 NE2 GLN A 21 20.459 -6.177 17.748 1.00 0.00 N ATOM 0 H GLN A 21 16.077 -9.818 15.419 1.00 0.00 H new ATOM 0 HA GLN A 21 16.101 -6.848 15.125 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.082 -7.132 17.330 1.00 0.00 H new ATOM 0 HB3 GLN A 21 17.992 -8.542 16.824 1.00 0.00 H new ATOM 0 HG2 GLN A 21 19.570 -7.274 15.623 1.00 0.00 H new ATOM 0 HG3 GLN A 21 18.433 -5.988 15.273 1.00 0.00 H new ATOM 0 HE21 GLN A 21 21.019 -6.918 17.325 1.00 0.00 H new ATOM 0 HE22 GLN A 21 20.817 -5.663 18.553 1.00 0.00 H new ATOM 285 N CYS A 22 17.672 -7.222 13.177 1.00 0.00 N ATOM 286 CA CYS A 22 18.449 -7.597 11.965 1.00 0.00 C ATOM 287 C CYS A 22 19.353 -6.496 11.460 1.00 0.00 C ATOM 288 O CYS A 22 18.907 -5.540 10.867 1.00 0.00 O ATOM 289 CB CYS A 22 17.465 -7.965 10.856 1.00 0.00 C ATOM 290 SG CYS A 22 16.803 -9.651 10.863 1.00 0.00 S ATOM 0 H CYS A 22 17.364 -6.251 13.233 1.00 0.00 H new ATOM 0 HA CYS A 22 19.091 -8.433 12.242 1.00 0.00 H new ATOM 0 HB2 CYS A 22 16.625 -7.272 10.906 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.958 -7.800 9.898 1.00 0.00 H new ATOM 295 N ARG A 23 20.622 -6.673 11.697 1.00 0.00 N ATOM 296 CA ARG A 23 21.608 -5.677 11.253 1.00 0.00 C ATOM 297 C ARG A 23 22.352 -6.218 10.050 1.00 0.00 C ATOM 298 O ARG A 23 22.472 -7.415 9.888 1.00 0.00 O ATOM 299 CB ARG A 23 22.596 -5.450 12.410 1.00 0.00 C ATOM 300 CG ARG A 23 23.769 -6.437 12.308 1.00 0.00 C ATOM 301 CD ARG A 23 24.510 -6.463 13.645 1.00 0.00 C ATOM 302 NE ARG A 23 25.950 -6.757 13.395 1.00 0.00 N ATOM 303 CZ ARG A 23 26.807 -5.774 13.341 1.00 0.00 C ATOM 304 NH1 ARG A 23 26.513 -4.718 12.633 1.00 0.00 N ATOM 305 NH2 ARG A 23 27.930 -5.879 13.997 1.00 0.00 N ATOM 0 H ARG A 23 21.013 -7.478 12.186 1.00 0.00 H new ATOM 0 HA ARG A 23 21.120 -4.742 10.979 1.00 0.00 H new ATOM 0 HB2 ARG A 23 22.969 -4.426 12.383 1.00 0.00 H new ATOM 0 HB3 ARG A 23 22.085 -5.578 13.364 1.00 0.00 H new ATOM 0 HG2 ARG A 23 23.403 -7.433 12.060 1.00 0.00 H new ATOM 0 HG3 ARG A 23 24.445 -6.138 11.508 1.00 0.00 H new ATOM 0 HD2 ARG A 23 24.404 -5.505 14.153 1.00 0.00 H new ATOM 0 HD3 ARG A 23 24.079 -7.220 14.300 1.00 0.00 H new ATOM 0 HE ARG A 23 26.263 -7.719 13.267 1.00 0.00 H new ATOM 0 HH11 ARG A 23 25.625 -4.670 12.133 1.00 0.00 H new ATOM 0 HH12 ARG A 23 27.171 -3.940 12.580 1.00 0.00 H new ATOM 0 HH21 ARG A 23 28.126 -6.719 14.541 1.00 0.00 H new ATOM 0 HH22 ARG A 23 28.611 -5.121 13.966 1.00 0.00 H new ATOM 319 N CYS A 24 22.846 -5.347 9.227 1.00 0.00 N ATOM 320 CA CYS A 24 23.577 -5.838 8.042 1.00 0.00 C ATOM 321 C CYS A 24 24.612 -4.828 7.565 1.00 0.00 C ATOM 322 O CYS A 24 24.833 -3.816 8.199 1.00 0.00 O ATOM 323 CB CYS A 24 22.550 -6.084 6.937 1.00 0.00 C ATOM 324 SG CYS A 24 23.144 -6.770 5.379 1.00 0.00 S ATOM 0 H CYS A 24 22.777 -4.334 9.321 1.00 0.00 H new ATOM 0 HA CYS A 24 24.111 -6.753 8.298 1.00 0.00 H new ATOM 0 HB2 CYS A 24 21.788 -6.757 7.331 1.00 0.00 H new ATOM 0 HB3 CYS A 24 22.057 -5.136 6.720 1.00 0.00 H new ATOM 329 N SER A 25 25.232 -5.119 6.452 1.00 0.00 N ATOM 330 CA SER A 25 26.255 -4.179 5.938 1.00 0.00 C ATOM 331 C SER A 25 27.205 -3.828 7.073 1.00 0.00 C ATOM 332 O SER A 25 27.658 -2.709 7.213 1.00 0.00 O ATOM 333 CB SER A 25 25.536 -2.913 5.443 1.00 0.00 C ATOM 334 OG SER A 25 25.958 -2.777 4.093 1.00 0.00 O ATOM 0 H SER A 25 25.074 -5.954 5.888 1.00 0.00 H new ATOM 0 HA SER A 25 26.821 -4.624 5.120 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.453 -3.017 5.513 1.00 0.00 H new ATOM 0 HB3 SER A 25 25.812 -2.041 6.036 1.00 0.00 H new ATOM 0 HG SER A 25 25.539 -1.984 3.697 1.00 0.00 H new ATOM 340 N ASP A 26 27.497 -4.823 7.857 1.00 0.00 N ATOM 341 CA ASP A 26 28.406 -4.625 9.007 1.00 0.00 C ATOM 342 C ASP A 26 29.588 -3.715 8.669 1.00 0.00 C ATOM 343 O ASP A 26 29.656 -2.604 9.159 1.00 0.00 O ATOM 344 CB ASP A 26 28.929 -5.999 9.453 1.00 0.00 C ATOM 345 CG ASP A 26 28.052 -7.103 8.855 1.00 0.00 C ATOM 346 OD1 ASP A 26 26.868 -7.070 9.146 1.00 0.00 O ATOM 347 OD2 ASP A 26 28.618 -7.917 8.143 1.00 0.00 O ATOM 0 H ASP A 26 27.140 -5.772 7.747 1.00 0.00 H new ATOM 0 HA ASP A 26 27.845 -4.137 9.804 1.00 0.00 H new ATOM 0 HB2 ASP A 26 29.962 -6.128 9.131 1.00 0.00 H new ATOM 0 HB3 ASP A 26 28.923 -6.066 10.541 1.00 0.00 H new ATOM 352 N MET A 27 30.491 -4.185 7.836 1.00 0.00 N ATOM 353 CA MET A 27 31.663 -3.336 7.478 1.00 0.00 C ATOM 354 C MET A 27 31.581 -2.809 6.051 1.00 0.00 C ATOM 355 O MET A 27 30.944 -3.388 5.195 1.00 0.00 O ATOM 356 CB MET A 27 32.945 -4.176 7.584 1.00 0.00 C ATOM 357 CG MET A 27 32.711 -5.429 8.438 1.00 0.00 C ATOM 358 SD MET A 27 32.003 -6.872 7.607 1.00 0.00 S ATOM 359 CE MET A 27 32.868 -8.132 8.576 1.00 0.00 C ATOM 0 H MET A 27 30.464 -5.106 7.398 1.00 0.00 H new ATOM 0 HA MET A 27 31.669 -2.491 8.166 1.00 0.00 H new ATOM 0 HB2 MET A 27 33.277 -4.467 6.587 1.00 0.00 H new ATOM 0 HB3 MET A 27 33.742 -3.576 8.023 1.00 0.00 H new ATOM 0 HG2 MET A 27 33.665 -5.724 8.874 1.00 0.00 H new ATOM 0 HG3 MET A 27 32.053 -5.158 9.264 1.00 0.00 H new ATOM 0 HE1 MET A 27 32.576 -9.123 8.228 1.00 0.00 H new ATOM 0 HE2 MET A 27 33.944 -8.008 8.456 1.00 0.00 H new ATOM 0 HE3 MET A 27 32.605 -8.026 9.628 1.00 0.00 H new ATOM 369 N ARG A 28 32.242 -1.705 5.840 1.00 0.00 N ATOM 370 CA ARG A 28 32.259 -1.072 4.496 1.00 0.00 C ATOM 371 C ARG A 28 33.609 -0.382 4.289 1.00 0.00 C ATOM 372 O ARG A 28 34.087 0.316 5.161 1.00 0.00 O ATOM 373 CB ARG A 28 31.124 -0.027 4.393 1.00 0.00 C ATOM 374 CG ARG A 28 30.308 0.004 5.695 1.00 0.00 C ATOM 375 CD ARG A 28 29.241 1.105 5.603 1.00 0.00 C ATOM 376 NE ARG A 28 27.919 0.471 5.334 1.00 0.00 N ATOM 377 CZ ARG A 28 27.685 -0.054 4.160 1.00 0.00 C ATOM 378 NH1 ARG A 28 28.235 -1.198 3.860 1.00 0.00 N ATOM 379 NH2 ARG A 28 26.913 0.587 3.323 1.00 0.00 N ATOM 0 H ARG A 28 32.778 -1.210 6.553 1.00 0.00 H new ATOM 0 HA ARG A 28 32.110 -1.834 3.731 1.00 0.00 H new ATOM 0 HB2 ARG A 28 31.545 0.959 4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 28 30.473 -0.269 3.553 1.00 0.00 H new ATOM 0 HG2 ARG A 28 29.835 -0.963 5.863 1.00 0.00 H new ATOM 0 HG3 ARG A 28 30.965 0.189 6.545 1.00 0.00 H new ATOM 0 HD2 ARG A 28 29.205 1.674 6.532 1.00 0.00 H new ATOM 0 HD3 ARG A 28 29.491 1.808 4.808 1.00 0.00 H new ATOM 0 HE ARG A 28 27.203 0.447 6.060 1.00 0.00 H new ATOM 0 HH11 ARG A 28 28.836 -1.668 4.537 1.00 0.00 H new ATOM 0 HH12 ARG A 28 28.064 -1.623 2.949 1.00 0.00 H new ATOM 0 HH21 ARG A 28 26.504 1.482 3.590 1.00 0.00 H new ATOM 0 HH22 ARG A 28 26.720 0.192 2.403 1.00 0.00 H new ATOM 393 N LEU A 29 34.199 -0.586 3.138 1.00 0.00 N ATOM 394 CA LEU A 29 35.522 0.051 2.869 1.00 0.00 C ATOM 395 C LEU A 29 35.392 1.379 2.117 1.00 0.00 C ATOM 396 O LEU A 29 36.180 1.707 1.252 1.00 0.00 O ATOM 397 CB LEU A 29 36.332 -0.941 2.029 1.00 0.00 C ATOM 398 CG LEU A 29 37.610 -1.306 2.779 1.00 0.00 C ATOM 399 CD1 LEU A 29 38.439 -2.269 1.927 1.00 0.00 C ATOM 400 CD2 LEU A 29 38.419 -0.037 3.034 1.00 0.00 C ATOM 0 H LEU A 29 33.826 -1.160 2.381 1.00 0.00 H new ATOM 0 HA LEU A 29 36.010 0.280 3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 29 35.742 -1.837 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 29 36.576 -0.502 1.062 1.00 0.00 H new ATOM 0 HG LEU A 29 37.358 -1.781 3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 29 39.353 -2.532 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 29 37.861 -3.172 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 29 38.695 -1.790 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 29 39.334 -0.290 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 29 38.673 0.430 2.082 1.00 0.00 H new ATOM 0 HD23 LEU A 29 37.828 0.657 3.632 1.00 0.00 H new ATOM 412 N ASN A 30 34.417 2.121 2.487 1.00 0.00 N ATOM 413 CA ASN A 30 34.193 3.431 1.828 1.00 0.00 C ATOM 414 C ASN A 30 33.290 4.317 2.681 1.00 0.00 C ATOM 415 O ASN A 30 33.747 4.984 3.589 1.00 0.00 O ATOM 416 CB ASN A 30 33.515 3.185 0.471 1.00 0.00 C ATOM 417 CG ASN A 30 34.573 2.761 -0.553 1.00 0.00 C ATOM 418 OD1 ASN A 30 35.500 3.491 -0.843 1.00 0.00 O ATOM 419 ND2 ASN A 30 34.471 1.590 -1.122 1.00 0.00 N ATOM 0 H ASN A 30 33.752 1.885 3.224 1.00 0.00 H new ATOM 0 HA ASN A 30 35.151 3.934 1.697 1.00 0.00 H new ATOM 0 HB2 ASN A 30 32.754 2.411 0.567 1.00 0.00 H new ATOM 0 HB3 ASN A 30 33.009 4.090 0.135 1.00 0.00 H new ATOM 0 HD21 ASN A 30 35.167 1.293 -1.806 1.00 0.00 H new ATOM 0 HD22 ASN A 30 33.695 0.973 -0.883 1.00 0.00 H new ATOM 426 N SER A 31 32.018 4.302 2.373 1.00 0.00 N ATOM 427 CA SER A 31 31.062 5.132 3.150 1.00 0.00 C ATOM 428 C SER A 31 29.665 4.515 3.124 1.00 0.00 C ATOM 429 O SER A 31 29.439 3.520 2.464 1.00 0.00 O ATOM 430 CB SER A 31 30.997 6.528 2.512 1.00 0.00 C ATOM 431 OG SER A 31 32.351 6.954 2.467 1.00 0.00 O ATOM 0 H SER A 31 31.606 3.752 1.619 1.00 0.00 H new ATOM 0 HA SER A 31 31.401 5.190 4.184 1.00 0.00 H new ATOM 0 HB2 SER A 31 30.558 6.490 1.515 1.00 0.00 H new ATOM 0 HB3 SER A 31 30.385 7.208 3.104 1.00 0.00 H new ATOM 0 HG SER A 31 32.861 6.499 3.170 1.00 0.00 H new ATOM 437 N CYS A 32 28.756 5.118 3.845 1.00 0.00 N ATOM 438 CA CYS A 32 27.365 4.584 3.878 1.00 0.00 C ATOM 439 C CYS A 32 26.453 5.371 2.942 1.00 0.00 C ATOM 440 O CYS A 32 26.911 6.002 2.011 1.00 0.00 O ATOM 441 CB CYS A 32 26.838 4.719 5.310 1.00 0.00 C ATOM 442 SG CYS A 32 27.976 4.303 6.650 1.00 0.00 S ATOM 0 H CYS A 32 28.917 5.953 4.409 1.00 0.00 H new ATOM 0 HA CYS A 32 27.374 3.543 3.554 1.00 0.00 H new ATOM 0 HB2 CYS A 32 26.509 5.748 5.453 1.00 0.00 H new ATOM 0 HB3 CYS A 32 25.956 4.086 5.407 1.00 0.00 H new ATOM 447 N HIS A 33 25.172 5.319 3.206 1.00 0.00 N ATOM 448 CA HIS A 33 24.226 6.060 2.337 1.00 0.00 C ATOM 449 C HIS A 33 22.938 6.434 3.105 1.00 0.00 C ATOM 450 O HIS A 33 23.012 6.938 4.209 1.00 0.00 O ATOM 451 CB HIS A 33 23.904 5.171 1.118 1.00 0.00 C ATOM 452 CG HIS A 33 23.566 3.762 1.598 1.00 0.00 C ATOM 453 ND1 HIS A 33 23.341 3.449 2.786 1.00 0.00 N ATOM 454 CD2 HIS A 33 23.475 2.583 0.884 1.00 0.00 C ATOM 455 CE1 HIS A 33 23.122 2.206 2.901 1.00 0.00 C ATOM 456 NE2 HIS A 33 23.185 1.570 1.736 1.00 0.00 N ATOM 0 H HIS A 33 24.750 4.801 3.977 1.00 0.00 H new ATOM 0 HA HIS A 33 24.679 6.995 2.009 1.00 0.00 H new ATOM 0 HB2 HIS A 33 23.066 5.589 0.560 1.00 0.00 H new ATOM 0 HB3 HIS A 33 24.756 5.142 0.439 1.00 0.00 H new ATOM 0 HD2 HIS A 33 23.613 2.484 -0.183 1.00 0.00 H new ATOM 0 HE1 HIS A 33 22.908 1.718 3.841 1.00 0.00 H new ATOM 0 HE2 HIS A 33 23.050 0.579 1.536 1.00 0.00 H new ATOM 464 N SER A 34 21.785 6.179 2.515 1.00 0.00 N ATOM 465 CA SER A 34 20.507 6.524 3.208 1.00 0.00 C ATOM 466 C SER A 34 19.829 5.300 3.855 1.00 0.00 C ATOM 467 O SER A 34 18.627 5.133 3.768 1.00 0.00 O ATOM 468 CB SER A 34 19.564 7.150 2.151 1.00 0.00 C ATOM 469 OG SER A 34 20.331 7.138 0.956 1.00 0.00 O ATOM 0 H SER A 34 21.681 5.752 1.595 1.00 0.00 H new ATOM 0 HA SER A 34 20.723 7.218 4.020 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.647 6.572 2.042 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.271 8.163 2.427 1.00 0.00 H new ATOM 0 HG SER A 34 19.803 7.520 0.224 1.00 0.00 H new ATOM 475 N ALA A 35 20.604 4.475 4.511 1.00 0.00 N ATOM 476 CA ALA A 35 20.000 3.274 5.160 1.00 0.00 C ATOM 477 C ALA A 35 20.695 2.953 6.477 1.00 0.00 C ATOM 478 O ALA A 35 20.583 1.858 6.990 1.00 0.00 O ATOM 479 CB ALA A 35 20.143 2.074 4.219 1.00 0.00 C ATOM 0 H ALA A 35 21.612 4.578 4.624 1.00 0.00 H new ATOM 0 HA ALA A 35 18.950 3.483 5.363 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.704 1.192 4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.628 2.283 3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 35 21.199 1.892 4.020 1.00 0.00 H new ATOM 485 N CYS A 36 21.402 3.916 7.001 1.00 0.00 N ATOM 486 CA CYS A 36 22.106 3.695 8.273 1.00 0.00 C ATOM 487 C CYS A 36 22.131 4.974 9.080 1.00 0.00 C ATOM 488 O CYS A 36 22.943 5.850 8.861 1.00 0.00 O ATOM 489 CB CYS A 36 23.533 3.256 7.993 1.00 0.00 C ATOM 490 SG CYS A 36 24.353 2.323 9.305 1.00 0.00 S ATOM 0 H CYS A 36 21.516 4.844 6.595 1.00 0.00 H new ATOM 0 HA CYS A 36 21.584 2.922 8.837 1.00 0.00 H new ATOM 0 HB2 CYS A 36 23.533 2.648 7.089 1.00 0.00 H new ATOM 0 HB3 CYS A 36 24.129 4.144 7.780 1.00 0.00 H new ATOM 495 N LYS A 37 21.234 5.048 9.995 1.00 0.00 N ATOM 496 CA LYS A 37 21.149 6.250 10.856 1.00 0.00 C ATOM 497 C LYS A 37 22.349 6.351 11.776 1.00 0.00 C ATOM 498 O LYS A 37 22.850 7.429 12.031 1.00 0.00 O ATOM 499 CB LYS A 37 19.881 6.134 11.715 1.00 0.00 C ATOM 500 CG LYS A 37 18.759 6.958 11.075 1.00 0.00 C ATOM 501 CD LYS A 37 17.417 6.524 11.669 1.00 0.00 C ATOM 502 CE LYS A 37 16.292 7.325 11.008 1.00 0.00 C ATOM 503 NZ LYS A 37 14.967 6.717 11.315 1.00 0.00 N ATOM 0 H LYS A 37 20.544 4.323 10.193 1.00 0.00 H new ATOM 0 HA LYS A 37 21.123 7.137 10.223 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.579 5.090 11.799 1.00 0.00 H new ATOM 0 HB3 LYS A 37 20.079 6.491 12.726 1.00 0.00 H new ATOM 0 HG2 LYS A 37 18.924 8.020 11.254 1.00 0.00 H new ATOM 0 HG3 LYS A 37 18.756 6.814 9.995 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.263 5.457 11.509 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.412 6.688 12.747 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.316 8.356 11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.444 7.354 9.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.216 7.273 10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.941 5.741 10.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 14.817 6.712 12.344 1.00 0.00 H new ATOM 517 N SER A 38 22.782 5.225 12.249 1.00 0.00 N ATOM 518 CA SER A 38 23.949 5.201 13.161 1.00 0.00 C ATOM 519 C SER A 38 25.178 4.591 12.484 1.00 0.00 C ATOM 520 O SER A 38 25.631 3.529 12.853 1.00 0.00 O ATOM 521 CB SER A 38 23.569 4.343 14.371 1.00 0.00 C ATOM 522 OG SER A 38 22.601 5.123 15.059 1.00 0.00 O ATOM 0 H SER A 38 22.375 4.313 12.042 1.00 0.00 H new ATOM 0 HA SER A 38 24.201 6.221 13.451 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.160 3.380 14.064 1.00 0.00 H new ATOM 0 HB3 SER A 38 24.435 4.136 15.000 1.00 0.00 H new ATOM 0 HG SER A 38 22.299 4.640 15.857 1.00 0.00 H new ATOM 528 N CYS A 39 25.678 5.269 11.494 1.00 0.00 N ATOM 529 CA CYS A 39 26.877 4.751 10.778 1.00 0.00 C ATOM 530 C CYS A 39 28.155 5.419 11.262 1.00 0.00 C ATOM 531 O CYS A 39 28.229 6.625 11.386 1.00 0.00 O ATOM 532 CB CYS A 39 26.731 5.060 9.292 1.00 0.00 C ATOM 533 SG CYS A 39 26.773 3.669 8.139 1.00 0.00 S ATOM 0 H CYS A 39 25.312 6.156 11.149 1.00 0.00 H new ATOM 0 HA CYS A 39 26.943 3.680 10.968 1.00 0.00 H new ATOM 0 HB2 CYS A 39 25.787 5.586 9.150 1.00 0.00 H new ATOM 0 HB3 CYS A 39 27.526 5.751 9.013 1.00 0.00 H new ATOM 538 N ILE A 40 29.130 4.610 11.526 1.00 0.00 N ATOM 539 CA ILE A 40 30.437 5.143 12.003 1.00 0.00 C ATOM 540 C ILE A 40 31.393 5.177 10.838 1.00 0.00 C ATOM 541 O ILE A 40 31.383 4.272 10.030 1.00 0.00 O ATOM 542 CB ILE A 40 31.021 4.189 13.061 1.00 0.00 C ATOM 543 CG1 ILE A 40 29.917 3.448 13.837 1.00 0.00 C ATOM 544 CG2 ILE A 40 31.887 4.998 14.050 1.00 0.00 C ATOM 545 CD1 ILE A 40 28.758 4.387 14.212 1.00 0.00 C ATOM 0 H ILE A 40 29.084 3.595 11.433 1.00 0.00 H new ATOM 0 HA ILE A 40 30.295 6.138 12.426 1.00 0.00 H new ATOM 0 HB ILE A 40 31.625 3.442 12.545 1.00 0.00 H new ATOM 0 HG12 ILE A 40 29.537 2.624 13.232 1.00 0.00 H new ATOM 0 HG13 ILE A 40 30.339 3.011 14.742 1.00 0.00 H new ATOM 0 HG21 ILE A 40 32.303 4.327 14.802 1.00 0.00 H new ATOM 0 HG22 ILE A 40 32.698 5.485 13.509 1.00 0.00 H new ATOM 0 HG23 ILE A 40 31.272 5.754 14.539 1.00 0.00 H new ATOM 0 HD11 ILE A 40 27.999 3.828 14.758 1.00 0.00 H new ATOM 0 HD12 ILE A 40 29.133 5.196 14.838 1.00 0.00 H new ATOM 0 HD13 ILE A 40 28.319 4.804 13.305 1.00 0.00 H new ATOM 557 N CYS A 41 32.209 6.200 10.747 1.00 0.00 N ATOM 558 CA CYS A 41 33.147 6.233 9.603 1.00 0.00 C ATOM 559 C CYS A 41 34.494 6.829 9.935 1.00 0.00 C ATOM 560 O CYS A 41 34.610 7.812 10.638 1.00 0.00 O ATOM 561 CB CYS A 41 32.538 7.044 8.467 1.00 0.00 C ATOM 562 SG CYS A 41 32.283 6.196 6.886 1.00 0.00 S ATOM 0 H CYS A 41 32.261 6.985 11.396 1.00 0.00 H new ATOM 0 HA CYS A 41 33.310 5.193 9.319 1.00 0.00 H new ATOM 0 HB2 CYS A 41 31.575 7.427 8.804 1.00 0.00 H new ATOM 0 HB3 CYS A 41 33.179 7.907 8.287 1.00 0.00 H new ATOM 567 N ALA A 42 35.488 6.191 9.397 1.00 0.00 N ATOM 568 CA ALA A 42 36.878 6.635 9.611 1.00 0.00 C ATOM 569 C ALA A 42 37.367 7.359 8.365 1.00 0.00 C ATOM 570 O ALA A 42 37.683 6.729 7.363 1.00 0.00 O ATOM 571 CB ALA A 42 37.756 5.399 9.851 1.00 0.00 C ATOM 0 H ALA A 42 35.389 5.365 8.807 1.00 0.00 H new ATOM 0 HA ALA A 42 36.930 7.305 10.469 1.00 0.00 H new ATOM 0 HB1 ALA A 42 38.788 5.711 10.011 1.00 0.00 H new ATOM 0 HB2 ALA A 42 37.398 4.864 10.731 1.00 0.00 H new ATOM 0 HB3 ALA A 42 37.706 4.743 8.982 1.00 0.00 H new ATOM 577 N LEU A 43 37.405 8.660 8.436 1.00 0.00 N ATOM 578 CA LEU A 43 37.867 9.440 7.268 1.00 0.00 C ATOM 579 C LEU A 43 39.294 9.067 6.891 1.00 0.00 C ATOM 580 O LEU A 43 40.243 9.571 7.459 1.00 0.00 O ATOM 581 CB LEU A 43 37.820 10.922 7.645 1.00 0.00 C ATOM 582 CG LEU A 43 36.369 11.315 7.941 1.00 0.00 C ATOM 583 CD1 LEU A 43 36.327 12.177 9.204 1.00 0.00 C ATOM 584 CD2 LEU A 43 35.812 12.116 6.763 1.00 0.00 C ATOM 0 H LEU A 43 37.136 9.210 9.252 1.00 0.00 H new ATOM 0 HA LEU A 43 37.224 9.228 6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 43 38.446 11.109 8.517 1.00 0.00 H new ATOM 0 HB3 LEU A 43 38.217 11.530 6.832 1.00 0.00 H new ATOM 0 HG LEU A 43 35.769 10.417 8.090 1.00 0.00 H new ATOM 0 HD11 LEU A 43 35.296 12.459 9.418 1.00 0.00 H new ATOM 0 HD12 LEU A 43 36.731 11.612 10.044 1.00 0.00 H new ATOM 0 HD13 LEU A 43 36.925 13.076 9.051 1.00 0.00 H new ATOM 0 HD21 LEU A 43 34.780 12.397 6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 43 36.411 13.015 6.619 1.00 0.00 H new ATOM 0 HD23 LEU A 43 35.848 11.507 5.860 1.00 0.00 H new ATOM 596 N SER A 44 39.420 8.186 5.935 1.00 0.00 N ATOM 597 CA SER A 44 40.776 7.767 5.506 1.00 0.00 C ATOM 598 C SER A 44 40.785 7.378 4.031 1.00 0.00 C ATOM 599 O SER A 44 39.789 7.497 3.344 1.00 0.00 O ATOM 600 CB SER A 44 41.193 6.546 6.338 1.00 0.00 C ATOM 601 OG SER A 44 40.245 6.507 7.396 1.00 0.00 O ATOM 0 H SER A 44 38.646 7.744 5.439 1.00 0.00 H new ATOM 0 HA SER A 44 41.466 8.598 5.653 1.00 0.00 H new ATOM 0 HB2 SER A 44 41.166 5.632 5.745 1.00 0.00 H new ATOM 0 HB3 SER A 44 42.210 6.650 6.717 1.00 0.00 H new ATOM 0 HG SER A 44 39.374 6.228 7.044 1.00 0.00 H new ATOM 607 N TYR A 45 41.913 6.912 3.576 1.00 0.00 N ATOM 608 CA TYR A 45 42.021 6.507 2.155 1.00 0.00 C ATOM 609 C TYR A 45 43.011 5.323 2.004 1.00 0.00 C ATOM 610 O TYR A 45 44.206 5.525 2.095 1.00 0.00 O ATOM 611 CB TYR A 45 42.583 7.703 1.370 1.00 0.00 C ATOM 612 CG TYR A 45 41.579 8.107 0.288 1.00 0.00 C ATOM 613 CD1 TYR A 45 41.296 7.252 -0.757 1.00 0.00 C ATOM 614 CD2 TYR A 45 40.936 9.328 0.346 1.00 0.00 C ATOM 615 CE1 TYR A 45 40.383 7.612 -1.729 1.00 0.00 C ATOM 616 CE2 TYR A 45 40.024 9.686 -0.625 1.00 0.00 C ATOM 617 CZ TYR A 45 39.740 8.830 -1.669 1.00 0.00 C ATOM 618 OH TYR A 45 38.827 9.188 -2.640 1.00 0.00 O ATOM 0 H TYR A 45 42.762 6.795 4.129 1.00 0.00 H new ATOM 0 HA TYR A 45 41.041 6.204 1.786 1.00 0.00 H new ATOM 0 HB2 TYR A 45 42.769 8.541 2.042 1.00 0.00 H new ATOM 0 HB3 TYR A 45 43.539 7.440 0.917 1.00 0.00 H new ATOM 0 HD1 TYR A 45 41.792 6.294 -0.816 1.00 0.00 H new ATOM 0 HD2 TYR A 45 41.149 10.008 1.158 1.00 0.00 H new ATOM 0 HE1 TYR A 45 40.171 6.934 -2.542 1.00 0.00 H new ATOM 0 HE2 TYR A 45 39.528 10.644 -0.568 1.00 0.00 H new ATOM 0 HH TYR A 45 38.469 10.078 -2.440 1.00 0.00 H new ATOM 628 N PRO A 46 42.519 4.093 1.782 1.00 0.00 N ATOM 629 CA PRO A 46 41.082 3.756 1.656 1.00 0.00 C ATOM 630 C PRO A 46 40.297 4.063 2.936 1.00 0.00 C ATOM 631 O PRO A 46 40.780 3.864 4.033 1.00 0.00 O ATOM 632 CB PRO A 46 41.056 2.235 1.411 1.00 0.00 C ATOM 633 CG PRO A 46 42.527 1.735 1.388 1.00 0.00 C ATOM 634 CD PRO A 46 43.429 2.949 1.643 1.00 0.00 C ATOM 0 HA PRO A 46 40.621 4.341 0.860 1.00 0.00 H new ATOM 0 HB2 PRO A 46 40.493 1.731 2.196 1.00 0.00 H new ATOM 0 HB3 PRO A 46 40.560 2.008 0.467 1.00 0.00 H new ATOM 0 HG2 PRO A 46 42.685 0.973 2.151 1.00 0.00 H new ATOM 0 HG3 PRO A 46 42.762 1.278 0.427 1.00 0.00 H new ATOM 0 HD2 PRO A 46 44.026 2.811 2.544 1.00 0.00 H new ATOM 0 HD3 PRO A 46 44.126 3.100 0.819 1.00 0.00 H new ATOM 642 N ALA A 47 39.098 4.544 2.760 1.00 0.00 N ATOM 643 CA ALA A 47 38.248 4.876 3.936 1.00 0.00 C ATOM 644 C ALA A 47 37.706 3.624 4.601 1.00 0.00 C ATOM 645 O ALA A 47 37.767 2.545 4.047 1.00 0.00 O ATOM 646 CB ALA A 47 37.045 5.689 3.441 1.00 0.00 C ATOM 0 H ALA A 47 38.670 4.722 1.851 1.00 0.00 H new ATOM 0 HA ALA A 47 38.855 5.427 4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 47 36.406 5.945 4.286 1.00 0.00 H new ATOM 0 HB2 ALA A 47 37.396 6.603 2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 47 36.477 5.098 2.723 1.00 0.00 H new ATOM 652 N GLN A 48 37.192 3.800 5.786 1.00 0.00 N ATOM 653 CA GLN A 48 36.626 2.637 6.527 1.00 0.00 C ATOM 654 C GLN A 48 35.306 3.034 7.161 1.00 0.00 C ATOM 655 O GLN A 48 35.118 4.177 7.521 1.00 0.00 O ATOM 656 CB GLN A 48 37.602 2.231 7.640 1.00 0.00 C ATOM 657 CG GLN A 48 38.365 0.976 7.209 1.00 0.00 C ATOM 658 CD GLN A 48 39.286 0.531 8.347 1.00 0.00 C ATOM 659 OE1 GLN A 48 38.911 0.541 9.504 1.00 0.00 O ATOM 660 NE2 GLN A 48 40.495 0.132 8.065 1.00 0.00 N ATOM 0 H GLN A 48 37.139 4.695 6.273 1.00 0.00 H new ATOM 0 HA GLN A 48 36.471 1.807 5.838 1.00 0.00 H new ATOM 0 HB2 GLN A 48 38.300 3.044 7.842 1.00 0.00 H new ATOM 0 HB3 GLN A 48 37.058 2.040 8.565 1.00 0.00 H new ATOM 0 HG2 GLN A 48 37.665 0.179 6.959 1.00 0.00 H new ATOM 0 HG3 GLN A 48 38.949 1.181 6.312 1.00 0.00 H new ATOM 0 HE21 GLN A 48 40.816 0.121 7.097 1.00 0.00 H new ATOM 0 HE22 GLN A 48 41.120 -0.169 8.813 1.00 0.00 H new ATOM 669 N CYS A 49 34.404 2.103 7.289 1.00 0.00 N ATOM 670 CA CYS A 49 33.110 2.471 7.903 1.00 0.00 C ATOM 671 C CYS A 49 32.352 1.279 8.453 1.00 0.00 C ATOM 672 O CYS A 49 32.645 0.141 8.146 1.00 0.00 O ATOM 673 CB CYS A 49 32.258 3.161 6.833 1.00 0.00 C ATOM 674 SG CYS A 49 31.215 4.547 7.361 1.00 0.00 S ATOM 0 H CYS A 49 34.505 1.129 7.002 1.00 0.00 H new ATOM 0 HA CYS A 49 33.314 3.129 8.748 1.00 0.00 H new ATOM 0 HB2 CYS A 49 32.927 3.522 6.051 1.00 0.00 H new ATOM 0 HB3 CYS A 49 31.613 2.408 6.379 1.00 0.00 H new ATOM 679 N PHE A 50 31.386 1.587 9.280 1.00 0.00 N ATOM 680 CA PHE A 50 30.564 0.525 9.894 1.00 0.00 C ATOM 681 C PHE A 50 29.110 0.976 10.009 1.00 0.00 C ATOM 682 O PHE A 50 28.826 2.157 10.035 1.00 0.00 O ATOM 683 CB PHE A 50 31.106 0.260 11.304 1.00 0.00 C ATOM 684 CG PHE A 50 31.467 -1.215 11.439 1.00 0.00 C ATOM 685 CD1 PHE A 50 30.474 -2.163 11.606 1.00 0.00 C ATOM 686 CD2 PHE A 50 32.788 -1.622 11.404 1.00 0.00 C ATOM 687 CE1 PHE A 50 30.799 -3.497 11.739 1.00 0.00 C ATOM 688 CE2 PHE A 50 33.110 -2.958 11.538 1.00 0.00 C ATOM 689 CZ PHE A 50 32.116 -3.893 11.705 1.00 0.00 C ATOM 0 H PHE A 50 31.137 2.538 9.552 1.00 0.00 H new ATOM 0 HA PHE A 50 30.609 -0.372 9.277 1.00 0.00 H new ATOM 0 HB2 PHE A 50 31.984 0.879 11.490 1.00 0.00 H new ATOM 0 HB3 PHE A 50 30.359 0.533 12.050 1.00 0.00 H new ATOM 0 HD1 PHE A 50 29.439 -1.857 11.632 1.00 0.00 H new ATOM 0 HD2 PHE A 50 33.572 -0.891 11.271 1.00 0.00 H new ATOM 0 HE1 PHE A 50 30.018 -4.232 11.870 1.00 0.00 H new ATOM 0 HE2 PHE A 50 34.144 -3.269 11.512 1.00 0.00 H new ATOM 0 HZ PHE A 50 32.369 -4.938 11.809 1.00 0.00 H new ATOM 699 N CYS A 51 28.224 0.021 10.073 1.00 0.00 N ATOM 700 CA CYS A 51 26.777 0.349 10.187 1.00 0.00 C ATOM 701 C CYS A 51 26.154 -0.429 11.333 1.00 0.00 C ATOM 702 O CYS A 51 25.947 -1.621 11.220 1.00 0.00 O ATOM 703 CB CYS A 51 26.093 -0.092 8.886 1.00 0.00 C ATOM 704 SG CYS A 51 24.388 0.435 8.615 1.00 0.00 S ATOM 0 H CYS A 51 28.441 -0.975 10.051 1.00 0.00 H new ATOM 0 HA CYS A 51 26.655 1.417 10.365 1.00 0.00 H new ATOM 0 HB2 CYS A 51 26.693 0.271 8.052 1.00 0.00 H new ATOM 0 HB3 CYS A 51 26.118 -1.181 8.846 1.00 0.00 H new ATOM 709 N VAL A 52 25.854 0.249 12.418 1.00 0.00 N ATOM 710 CA VAL A 52 25.240 -0.481 13.565 1.00 0.00 C ATOM 711 C VAL A 52 23.721 -0.344 13.554 1.00 0.00 C ATOM 712 O VAL A 52 23.050 -0.841 14.437 1.00 0.00 O ATOM 713 CB VAL A 52 25.795 0.084 14.884 1.00 0.00 C ATOM 714 CG1 VAL A 52 27.191 -0.490 15.131 1.00 0.00 C ATOM 715 CG2 VAL A 52 25.890 1.594 14.786 1.00 0.00 C ATOM 0 H VAL A 52 26.004 1.249 12.554 1.00 0.00 H new ATOM 0 HA VAL A 52 25.490 -1.538 13.474 1.00 0.00 H new ATOM 0 HB VAL A 52 25.132 -0.189 15.705 1.00 0.00 H new ATOM 0 HG11 VAL A 52 27.588 -0.092 16.065 1.00 0.00 H new ATOM 0 HG12 VAL A 52 27.131 -1.576 15.196 1.00 0.00 H new ATOM 0 HG13 VAL A 52 27.850 -0.211 14.309 1.00 0.00 H new ATOM 0 HG21 VAL A 52 26.283 1.995 15.720 1.00 0.00 H new ATOM 0 HG22 VAL A 52 26.556 1.864 13.966 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.899 2.010 14.601 1.00 0.00 H new ATOM 725 N ASP A 53 23.194 0.329 12.556 1.00 0.00 N ATOM 726 CA ASP A 53 21.717 0.484 12.504 1.00 0.00 C ATOM 727 C ASP A 53 21.082 -0.872 12.229 1.00 0.00 C ATOM 728 O ASP A 53 21.725 -1.739 11.670 1.00 0.00 O ATOM 729 CB ASP A 53 21.359 1.450 11.367 1.00 0.00 C ATOM 730 CG ASP A 53 20.264 2.408 11.846 1.00 0.00 C ATOM 731 OD1 ASP A 53 20.488 3.012 12.883 1.00 0.00 O ATOM 732 OD2 ASP A 53 19.266 2.484 11.148 1.00 0.00 O ATOM 0 H ASP A 53 23.714 0.766 11.795 1.00 0.00 H new ATOM 0 HA ASP A 53 21.349 0.875 13.453 1.00 0.00 H new ATOM 0 HB2 ASP A 53 22.241 2.012 11.060 1.00 0.00 H new ATOM 0 HB3 ASP A 53 21.016 0.893 10.495 1.00 0.00 H new ATOM 737 N ILE A 54 19.840 -1.040 12.624 1.00 0.00 N ATOM 738 CA ILE A 54 19.174 -2.341 12.386 1.00 0.00 C ATOM 739 C ILE A 54 17.836 -2.205 11.671 1.00 0.00 C ATOM 740 O ILE A 54 17.297 -1.126 11.518 1.00 0.00 O ATOM 741 CB ILE A 54 18.913 -2.979 13.738 1.00 0.00 C ATOM 742 CG1 ILE A 54 18.925 -1.910 14.827 1.00 0.00 C ATOM 743 CG2 ILE A 54 20.034 -3.992 14.026 1.00 0.00 C ATOM 744 CD1 ILE A 54 18.359 -2.493 16.133 1.00 0.00 C ATOM 0 H ILE A 54 19.273 -0.335 13.095 1.00 0.00 H new ATOM 0 HA ILE A 54 19.829 -2.938 11.751 1.00 0.00 H new ATOM 0 HB ILE A 54 17.942 -3.473 13.727 1.00 0.00 H new ATOM 0 HG12 ILE A 54 19.942 -1.553 14.988 1.00 0.00 H new ATOM 0 HG13 ILE A 54 18.331 -1.051 14.514 1.00 0.00 H new ATOM 0 HG21 ILE A 54 19.861 -4.460 14.995 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.041 -4.757 13.250 1.00 0.00 H new ATOM 0 HG23 ILE A 54 20.995 -3.478 14.038 1.00 0.00 H new ATOM 0 HD11 ILE A 54 18.369 -1.727 16.908 1.00 0.00 H new ATOM 0 HD12 ILE A 54 17.335 -2.829 15.968 1.00 0.00 H new ATOM 0 HD13 ILE A 54 18.971 -3.338 16.450 1.00 0.00 H new ATOM 756 N THR A 55 17.341 -3.335 11.253 1.00 0.00 N ATOM 757 CA THR A 55 16.046 -3.388 10.539 1.00 0.00 C ATOM 758 C THR A 55 15.302 -4.661 10.962 1.00 0.00 C ATOM 759 O THR A 55 15.730 -5.333 11.886 1.00 0.00 O ATOM 760 CB THR A 55 16.339 -3.427 9.025 1.00 0.00 C ATOM 761 OG1 THR A 55 15.135 -3.828 8.404 1.00 0.00 O ATOM 762 CG2 THR A 55 17.338 -4.542 8.683 1.00 0.00 C ATOM 0 H THR A 55 17.793 -4.241 11.381 1.00 0.00 H new ATOM 0 HA THR A 55 15.431 -2.520 10.776 1.00 0.00 H new ATOM 0 HB THR A 55 16.725 -2.457 8.711 1.00 0.00 H new ATOM 0 HG1 THR A 55 15.004 -3.312 7.581 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.526 -4.546 7.609 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.274 -4.368 9.214 1.00 0.00 H new ATOM 0 HG23 THR A 55 16.925 -5.505 8.982 1.00 0.00 H new ATOM 770 N ASP A 56 14.215 -4.972 10.292 1.00 0.00 N ATOM 771 CA ASP A 56 13.448 -6.201 10.660 1.00 0.00 C ATOM 772 C ASP A 56 13.420 -7.213 9.514 1.00 0.00 C ATOM 773 O ASP A 56 12.569 -8.079 9.477 1.00 0.00 O ATOM 774 CB ASP A 56 12.005 -5.784 10.986 1.00 0.00 C ATOM 775 CG ASP A 56 12.014 -4.407 11.647 1.00 0.00 C ATOM 776 OD1 ASP A 56 12.704 -4.291 12.647 1.00 0.00 O ATOM 777 OD2 ASP A 56 11.332 -3.548 11.115 1.00 0.00 O ATOM 0 H ASP A 56 13.832 -4.433 9.516 1.00 0.00 H new ATOM 0 HA ASP A 56 13.933 -6.672 11.515 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.407 -5.759 10.075 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.544 -6.516 11.650 1.00 0.00 H new ATOM 782 N PHE A 57 14.348 -7.093 8.596 1.00 0.00 N ATOM 783 CA PHE A 57 14.359 -8.061 7.458 1.00 0.00 C ATOM 784 C PHE A 57 15.738 -8.192 6.804 1.00 0.00 C ATOM 785 O PHE A 57 15.927 -9.022 5.937 1.00 0.00 O ATOM 786 CB PHE A 57 13.363 -7.575 6.399 1.00 0.00 C ATOM 787 CG PHE A 57 13.274 -6.050 6.449 1.00 0.00 C ATOM 788 CD1 PHE A 57 14.155 -5.270 5.725 1.00 0.00 C ATOM 789 CD2 PHE A 57 12.306 -5.432 7.219 1.00 0.00 C ATOM 790 CE1 PHE A 57 14.070 -3.893 5.771 1.00 0.00 C ATOM 791 CE2 PHE A 57 12.223 -4.057 7.266 1.00 0.00 C ATOM 792 CZ PHE A 57 13.104 -3.288 6.541 1.00 0.00 C ATOM 0 H PHE A 57 15.081 -6.384 8.584 1.00 0.00 H new ATOM 0 HA PHE A 57 14.088 -9.040 7.854 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.681 -7.900 5.408 1.00 0.00 H new ATOM 0 HB3 PHE A 57 12.381 -8.014 6.578 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.915 -5.741 5.119 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.610 -6.031 7.788 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.762 -3.290 5.202 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.466 -3.583 7.873 1.00 0.00 H new ATOM 0 HZ PHE A 57 13.037 -2.211 6.576 1.00 0.00 H new ATOM 802 N CYS A 58 16.676 -7.386 7.218 1.00 0.00 N ATOM 803 CA CYS A 58 18.025 -7.478 6.611 1.00 0.00 C ATOM 804 C CYS A 58 17.941 -7.354 5.098 1.00 0.00 C ATOM 805 O CYS A 58 17.578 -8.288 4.407 1.00 0.00 O ATOM 806 CB CYS A 58 18.639 -8.844 6.963 1.00 0.00 C ATOM 807 SG CYS A 58 20.197 -8.853 7.883 1.00 0.00 S ATOM 0 H CYS A 58 16.566 -6.676 7.942 1.00 0.00 H new ATOM 0 HA CYS A 58 18.642 -6.668 7.000 1.00 0.00 H new ATOM 0 HB2 CYS A 58 17.904 -9.403 7.542 1.00 0.00 H new ATOM 0 HB3 CYS A 58 18.795 -9.391 6.033 1.00 0.00 H new ATOM 812 N TYR A 59 18.260 -6.198 4.610 1.00 0.00 N ATOM 813 CA TYR A 59 18.206 -5.988 3.145 1.00 0.00 C ATOM 814 C TYR A 59 18.854 -7.164 2.417 1.00 0.00 C ATOM 815 O TYR A 59 19.594 -7.927 3.008 1.00 0.00 O ATOM 816 CB TYR A 59 18.973 -4.702 2.805 1.00 0.00 C ATOM 817 CG TYR A 59 18.965 -3.763 4.018 1.00 0.00 C ATOM 818 CD1 TYR A 59 19.919 -3.885 5.006 1.00 0.00 C ATOM 819 CD2 TYR A 59 18.012 -2.772 4.130 1.00 0.00 C ATOM 820 CE1 TYR A 59 19.922 -3.028 6.088 1.00 0.00 C ATOM 821 CE2 TYR A 59 18.015 -1.915 5.211 1.00 0.00 C ATOM 822 CZ TYR A 59 18.969 -2.035 6.197 1.00 0.00 C ATOM 823 OH TYR A 59 18.974 -1.173 7.275 1.00 0.00 O ATOM 0 H TYR A 59 18.555 -5.390 5.159 1.00 0.00 H new ATOM 0 HA TYR A 59 17.166 -5.908 2.830 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.999 -4.942 2.524 1.00 0.00 H new ATOM 0 HB3 TYR A 59 18.515 -4.209 1.948 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.670 -4.658 4.933 1.00 0.00 H new ATOM 0 HD2 TYR A 59 17.257 -2.666 3.365 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.675 -3.135 6.855 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.263 -1.143 5.285 1.00 0.00 H new ATOM 0 HH TYR A 59 18.233 -0.537 7.189 1.00 0.00 H new ATOM 833 N GLU A 60 18.571 -7.296 1.148 1.00 0.00 N ATOM 834 CA GLU A 60 19.171 -8.425 0.386 1.00 0.00 C ATOM 835 C GLU A 60 20.639 -8.119 0.008 1.00 0.00 C ATOM 836 O GLU A 60 21.007 -6.970 -0.135 1.00 0.00 O ATOM 837 CB GLU A 60 18.363 -8.612 -0.906 1.00 0.00 C ATOM 838 CG GLU A 60 17.196 -9.562 -0.633 1.00 0.00 C ATOM 839 CD GLU A 60 16.395 -9.046 0.565 1.00 0.00 C ATOM 840 OE1 GLU A 60 15.528 -8.223 0.322 1.00 0.00 O ATOM 841 OE2 GLU A 60 16.698 -9.502 1.656 1.00 0.00 O ATOM 0 H GLU A 60 17.959 -6.679 0.614 1.00 0.00 H new ATOM 0 HA GLU A 60 19.150 -9.323 1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.990 -7.650 -1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 60 19.000 -9.015 -1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.555 -9.631 -1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.569 -10.566 -0.431 1.00 0.00 H new ATOM 848 N PRO A 61 21.465 -9.162 -0.153 1.00 0.00 N ATOM 849 CA PRO A 61 22.875 -8.966 -0.514 1.00 0.00 C ATOM 850 C PRO A 61 23.015 -8.280 -1.873 1.00 0.00 C ATOM 851 O PRO A 61 22.572 -8.794 -2.879 1.00 0.00 O ATOM 852 CB PRO A 61 23.467 -10.388 -0.603 1.00 0.00 C ATOM 853 CG PRO A 61 22.306 -11.394 -0.369 1.00 0.00 C ATOM 854 CD PRO A 61 21.063 -10.576 0.014 1.00 0.00 C ATOM 0 HA PRO A 61 23.380 -8.334 0.216 1.00 0.00 H new ATOM 0 HB2 PRO A 61 23.925 -10.552 -1.578 1.00 0.00 H new ATOM 0 HB3 PRO A 61 24.249 -10.525 0.144 1.00 0.00 H new ATOM 0 HG2 PRO A 61 22.118 -11.980 -1.269 1.00 0.00 H new ATOM 0 HG3 PRO A 61 22.561 -12.098 0.423 1.00 0.00 H new ATOM 0 HD2 PRO A 61 20.216 -10.823 -0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 61 20.757 -10.780 1.040 1.00 0.00 H new ATOM 862 N CYS A 62 23.634 -7.133 -1.872 1.00 0.00 N ATOM 863 CA CYS A 62 23.818 -6.396 -3.148 1.00 0.00 C ATOM 864 C CYS A 62 24.581 -7.240 -4.140 1.00 0.00 C ATOM 865 O CYS A 62 24.598 -8.453 -4.061 1.00 0.00 O ATOM 866 CB CYS A 62 24.646 -5.120 -2.873 1.00 0.00 C ATOM 867 SG CYS A 62 24.241 -3.634 -3.817 1.00 0.00 S ATOM 0 H CYS A 62 24.019 -6.677 -1.045 1.00 0.00 H new ATOM 0 HA CYS A 62 22.837 -6.150 -3.554 1.00 0.00 H new ATOM 0 HB2 CYS A 62 24.551 -4.880 -1.814 1.00 0.00 H new ATOM 0 HB3 CYS A 62 25.695 -5.356 -3.053 1.00 0.00 H new ATOM 872 N LYS A 63 25.198 -6.577 -5.054 1.00 0.00 N ATOM 873 CA LYS A 63 25.980 -7.302 -6.079 1.00 0.00 C ATOM 874 C LYS A 63 26.908 -8.344 -5.393 1.00 0.00 C ATOM 875 O LYS A 63 27.765 -7.965 -4.619 1.00 0.00 O ATOM 876 CB LYS A 63 26.860 -6.269 -6.804 1.00 0.00 C ATOM 877 CG LYS A 63 27.661 -6.968 -7.902 1.00 0.00 C ATOM 878 CD LYS A 63 27.744 -6.048 -9.122 1.00 0.00 C ATOM 879 CE LYS A 63 28.757 -6.619 -10.115 1.00 0.00 C ATOM 880 NZ LYS A 63 28.759 -5.818 -11.372 1.00 0.00 N ATOM 0 H LYS A 63 25.198 -5.561 -5.141 1.00 0.00 H new ATOM 0 HA LYS A 63 25.312 -7.815 -6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 63 26.239 -5.484 -7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 63 27.535 -5.788 -6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.662 -7.208 -7.543 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.185 -7.910 -8.173 1.00 0.00 H new ATOM 0 HD2 LYS A 63 26.765 -5.960 -9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.042 -5.045 -8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.753 -6.615 -9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.512 -7.657 -10.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.452 -6.217 -12.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.812 -5.844 -11.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.015 -4.833 -11.156 1.00 0.00 H new ATOM 894 N PRO A 64 26.737 -9.646 -5.672 1.00 0.00 N ATOM 895 CA PRO A 64 27.592 -10.656 -5.042 1.00 0.00 C ATOM 896 C PRO A 64 29.063 -10.422 -5.375 1.00 0.00 C ATOM 897 O PRO A 64 29.408 -10.112 -6.498 1.00 0.00 O ATOM 898 CB PRO A 64 27.129 -12.004 -5.634 1.00 0.00 C ATOM 899 CG PRO A 64 25.937 -11.712 -6.587 1.00 0.00 C ATOM 900 CD PRO A 64 25.729 -10.190 -6.610 1.00 0.00 C ATOM 0 HA PRO A 64 27.507 -10.623 -3.956 1.00 0.00 H new ATOM 0 HB2 PRO A 64 27.944 -12.485 -6.176 1.00 0.00 H new ATOM 0 HB3 PRO A 64 26.827 -12.687 -4.840 1.00 0.00 H new ATOM 0 HG2 PRO A 64 26.146 -12.086 -7.589 1.00 0.00 H new ATOM 0 HG3 PRO A 64 25.036 -12.217 -6.240 1.00 0.00 H new ATOM 0 HD2 PRO A 64 25.868 -9.789 -7.614 1.00 0.00 H new ATOM 0 HD3 PRO A 64 24.718 -9.926 -6.299 1.00 0.00 H new ATOM 908 N SER A 65 29.904 -10.570 -4.386 1.00 0.00 N ATOM 909 CA SER A 65 31.354 -10.360 -4.623 1.00 0.00 C ATOM 910 C SER A 65 32.167 -10.792 -3.408 1.00 0.00 C ATOM 911 O SER A 65 32.141 -10.145 -2.379 1.00 0.00 O ATOM 912 CB SER A 65 31.589 -8.864 -4.866 1.00 0.00 C ATOM 913 OG SER A 65 31.726 -8.759 -6.276 1.00 0.00 O ATOM 0 H SER A 65 29.648 -10.825 -3.432 1.00 0.00 H new ATOM 0 HA SER A 65 31.667 -10.953 -5.483 1.00 0.00 H new ATOM 0 HB2 SER A 65 30.755 -8.265 -4.501 1.00 0.00 H new ATOM 0 HB3 SER A 65 32.483 -8.512 -4.351 1.00 0.00 H new ATOM 0 HG SER A 65 30.950 -9.170 -6.712 1.00 0.00 H new ATOM 919 N GLU A 66 32.876 -11.878 -3.550 1.00 0.00 N ATOM 920 CA GLU A 66 33.695 -12.367 -2.413 1.00 0.00 C ATOM 921 C GLU A 66 35.127 -11.852 -2.510 1.00 0.00 C ATOM 922 O GLU A 66 36.068 -12.572 -2.239 1.00 0.00 O ATOM 923 CB GLU A 66 33.720 -13.901 -2.459 1.00 0.00 C ATOM 924 CG GLU A 66 32.324 -14.437 -2.127 1.00 0.00 C ATOM 925 CD GLU A 66 32.023 -14.179 -0.649 1.00 0.00 C ATOM 926 OE1 GLU A 66 32.909 -14.463 0.140 1.00 0.00 O ATOM 927 OE2 GLU A 66 30.925 -13.713 -0.395 1.00 0.00 O ATOM 0 H GLU A 66 32.922 -12.442 -4.399 1.00 0.00 H new ATOM 0 HA GLU A 66 33.258 -12.007 -1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 66 34.028 -14.242 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 66 34.450 -14.286 -1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 66 31.576 -13.950 -2.753 1.00 0.00 H new ATOM 0 HG3 GLU A 66 32.271 -15.505 -2.340 1.00 0.00 H new ATOM 934 N ASP A 67 35.267 -10.612 -2.893 1.00 0.00 N ATOM 935 CA ASP A 67 36.629 -10.036 -3.012 1.00 0.00 C ATOM 936 C ASP A 67 37.147 -9.596 -1.647 1.00 0.00 C ATOM 937 O ASP A 67 36.494 -8.851 -0.943 1.00 0.00 O ATOM 938 CB ASP A 67 36.559 -8.809 -3.931 1.00 0.00 C ATOM 939 CG ASP A 67 36.047 -9.235 -5.309 1.00 0.00 C ATOM 940 OD1 ASP A 67 35.609 -10.371 -5.397 1.00 0.00 O ATOM 941 OD2 ASP A 67 36.123 -8.401 -6.196 1.00 0.00 O ATOM 0 H ASP A 67 34.501 -9.980 -3.126 1.00 0.00 H new ATOM 0 HA ASP A 67 37.302 -10.791 -3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 67 35.898 -8.057 -3.502 1.00 0.00 H new ATOM 0 HB3 ASP A 67 37.545 -8.352 -4.022 1.00 0.00 H new ATOM 946 N ASP A 68 38.313 -10.067 -1.296 1.00 0.00 N ATOM 947 CA ASP A 68 38.885 -9.686 0.020 1.00 0.00 C ATOM 948 C ASP A 68 39.457 -8.273 -0.026 1.00 0.00 C ATOM 949 O ASP A 68 39.120 -7.437 0.790 1.00 0.00 O ATOM 950 CB ASP A 68 40.020 -10.663 0.354 1.00 0.00 C ATOM 951 CG ASP A 68 40.577 -10.333 1.738 1.00 0.00 C ATOM 952 OD1 ASP A 68 39.764 -10.255 2.645 1.00 0.00 O ATOM 953 OD2 ASP A 68 41.785 -10.176 1.813 1.00 0.00 O ATOM 0 H ASP A 68 38.887 -10.693 -1.860 1.00 0.00 H new ATOM 0 HA ASP A 68 38.098 -9.722 0.774 1.00 0.00 H new ATOM 0 HB2 ASP A 68 39.651 -11.688 0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 68 40.809 -10.592 -0.395 1.00 0.00 H new ATOM 958 N LYS A 69 40.310 -8.032 -0.982 1.00 0.00 N ATOM 959 CA LYS A 69 40.913 -6.681 -1.097 1.00 0.00 C ATOM 960 C LYS A 69 40.075 -5.784 -1.997 1.00 0.00 C ATOM 961 O LYS A 69 39.547 -4.780 -1.560 1.00 0.00 O ATOM 962 CB LYS A 69 42.311 -6.826 -1.716 1.00 0.00 C ATOM 963 CG LYS A 69 43.308 -7.204 -0.622 1.00 0.00 C ATOM 964 CD LYS A 69 44.604 -7.689 -1.273 1.00 0.00 C ATOM 965 CE LYS A 69 45.759 -7.497 -0.290 1.00 0.00 C ATOM 966 NZ LYS A 69 45.376 -7.991 1.063 1.00 0.00 N ATOM 0 H LYS A 69 40.612 -8.709 -1.683 1.00 0.00 H new ATOM 0 HA LYS A 69 40.963 -6.232 -0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 69 42.300 -7.589 -2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 69 42.610 -5.891 -2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 69 43.507 -6.345 0.018 1.00 0.00 H new ATOM 0 HG3 LYS A 69 42.891 -7.985 0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 69 44.516 -8.740 -1.549 1.00 0.00 H new ATOM 0 HD3 LYS A 69 44.795 -7.133 -2.191 1.00 0.00 H new ATOM 0 HE2 LYS A 69 46.640 -8.033 -0.644 1.00 0.00 H new ATOM 0 HE3 LYS A 69 46.028 -6.442 -0.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 46.234 -8.206 1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 44.825 -7.260 1.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 44.801 -8.853 0.968 1.00 0.00 H new ATOM 980 N GLU A 70 39.966 -6.163 -3.241 1.00 0.00 N ATOM 981 CA GLU A 70 39.167 -5.343 -4.184 1.00 0.00 C ATOM 982 C GLU A 70 38.991 -6.064 -5.516 1.00 0.00 C ATOM 983 O GLU A 70 37.885 -6.229 -5.993 1.00 0.00 O ATOM 984 CB GLU A 70 39.919 -4.027 -4.429 1.00 0.00 C ATOM 985 CG GLU A 70 38.963 -3.014 -5.062 1.00 0.00 C ATOM 986 CD GLU A 70 38.313 -2.175 -3.960 1.00 0.00 C ATOM 987 OE1 GLU A 70 38.936 -1.195 -3.587 1.00 0.00 O ATOM 988 OE2 GLU A 70 37.230 -2.562 -3.553 1.00 0.00 O ATOM 0 H GLU A 70 40.393 -6.999 -3.639 1.00 0.00 H new ATOM 0 HA GLU A 70 38.182 -5.161 -3.755 1.00 0.00 H new ATOM 0 HB2 GLU A 70 40.311 -3.638 -3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 70 40.773 -4.198 -5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 70 39.504 -2.369 -5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 70 38.198 -3.531 -5.640 1.00 0.00 H new ATOM 995 N ASN A 71 40.086 -6.484 -6.093 1.00 0.00 N ATOM 996 CA ASN A 71 39.996 -7.195 -7.394 1.00 0.00 C ATOM 997 C ASN A 71 38.996 -8.343 -7.315 1.00 0.00 C ATOM 998 O ASN A 71 38.915 -8.917 -6.242 1.00 0.00 O ATOM 999 CB ASN A 71 41.379 -7.769 -7.731 1.00 0.00 C ATOM 1000 CG ASN A 71 42.457 -6.746 -7.364 1.00 0.00 C ATOM 1001 OD1 ASN A 71 42.122 -5.491 -7.234 1.00 0.00 O flip ATOM 1002 ND2 ASN A 71 43.613 -7.080 -7.195 1.00 0.00 N flip ATOM 1003 OXT ASN A 71 38.369 -8.585 -8.333 1.00 0.00 O ATOM 0 H ASN A 71 41.028 -6.365 -5.721 1.00 0.00 H new ATOM 0 HA ASN A 71 39.665 -6.494 -8.160 1.00 0.00 H new ATOM 0 HB2 ASN A 71 41.542 -8.698 -7.185 1.00 0.00 H new ATOM 0 HB3 ASN A 71 41.436 -8.009 -8.793 1.00 0.00 H new ATOM 0 HD21 ASN A 71 43.881 -8.059 -7.295 1.00 0.00 H new ATOM 0 HD22 ASN A 71 44.316 -6.381 -6.953 1.00 0.00 H new TER 1010 ASN A 71