USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 946 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: B 44 THR OG1 : rot 145:sc= 1.22 USER MOD Set 1.2: B 47 SER OG : rot -67:sc= 0.484! USER MOD Set 2.1: A 44 THR OG1 : rot 145:sc= 1.29 USER MOD Set 2.2: A 47 SER OG : rot -68:sc= 0.384! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -34:sc= -0.34 USER MOD Single : A 14 SER OG : rot -108:sc= 1.19 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.374 USER MOD Single : A 19 LYS NZ :NH3+ -104:sc= -3.03! (180deg=-5.7!) USER MOD Single : A 23 ASN : amide:sc= -0.498 K(o=-0.5,f=0.013) USER MOD Single : A 28 TYR OH : rot -62:sc= 0.537 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 45:sc= -0.592 USER MOD Single : A 32 SER OG : rot -170:sc= 0.304 USER MOD Single : A 33 SER OG : rot 180:sc= -0.142 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0.056) USER MOD Single : A 43 GLN : amide:sc= -9.46! K(o=-9.5!,f=-2.5) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.558 (180deg=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.563 K(o=-0.56,f=-0.041) USER MOD Single : A 55 SER OG : rot 92:sc= 0.96 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 170:sc= -0.615 USER MOD Single : B 14 SER OG : rot -108:sc= 1.16 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.41! USER MOD Single : B 19 LYS NZ :NH3+ -103:sc= -3.04! (180deg=-5.7!) USER MOD Single : B 23 ASN : amide:sc= -0.601 K(o=-0.6,f=0.013) USER MOD Single : B 28 TYR OH : rot -62:sc= 0.533 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 29:sc= -0.706 USER MOD Single : B 32 SER OG : rot -170:sc= 0.25 USER MOD Single : B 33 SER OG : rot 180:sc= -0.141 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= 0 X(o=0,f=0.055) USER MOD Single : B 43 GLN : amide:sc= -9.36! K(o=-9.4!,f=-2.5) USER MOD Single : B 45 LYS NZ :NH3+ 163:sc= -0.56 (180deg=-1.12) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -0.469 X(o=-0.47,f=-0.042) USER MOD Single : B 55 SER OG : rot 85:sc= 0.985 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 62 TYR OH : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N SER A 5 -11.022 9.933 -3.981 1.00 0.00 N ATOM 52 CA SER A 5 -11.574 10.196 -2.618 1.00 0.00 C ATOM 53 C SER A 5 -10.549 9.782 -1.546 1.00 0.00 C ATOM 54 O SER A 5 -9.932 10.618 -0.917 1.00 0.00 O ATOM 55 CB SER A 5 -12.893 9.423 -2.452 1.00 0.00 C ATOM 56 OG SER A 5 -13.957 10.352 -2.292 1.00 0.00 O ATOM 0 HA SER A 5 -11.773 11.261 -2.496 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.072 8.792 -3.323 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.836 8.763 -1.586 1.00 0.00 H new ATOM 0 HG SER A 5 -14.802 9.867 -2.187 1.00 0.00 H new ATOM 62 N ASP A 6 -10.366 8.504 -1.327 1.00 0.00 N ATOM 63 CA ASP A 6 -9.382 8.059 -0.286 1.00 0.00 C ATOM 64 C ASP A 6 -8.906 6.631 -0.591 1.00 0.00 C ATOM 65 O ASP A 6 -9.254 5.709 0.121 1.00 0.00 O ATOM 66 CB ASP A 6 -10.047 8.077 1.098 1.00 0.00 C ATOM 67 CG ASP A 6 -10.841 9.373 1.274 1.00 0.00 C ATOM 68 OD1 ASP A 6 -11.971 9.418 0.818 1.00 0.00 O ATOM 69 OD2 ASP A 6 -10.304 10.298 1.861 1.00 0.00 O ATOM 0 H ASP A 6 -10.850 7.753 -1.818 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.530 8.739 -0.296 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.708 7.217 1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.289 7.995 1.877 1.00 0.00 H new ATOM 74 N PRO A 7 -8.124 6.477 -1.638 1.00 0.00 N ATOM 75 CA PRO A 7 -7.608 5.149 -2.025 1.00 0.00 C ATOM 76 C PRO A 7 -6.648 4.622 -0.933 1.00 0.00 C ATOM 77 O PRO A 7 -6.275 5.361 -0.045 1.00 0.00 O ATOM 78 CB PRO A 7 -6.869 5.391 -3.365 1.00 0.00 C ATOM 79 CG PRO A 7 -6.949 6.915 -3.678 1.00 0.00 C ATOM 80 CD PRO A 7 -7.703 7.591 -2.512 1.00 0.00 C ATOM 0 HA PRO A 7 -8.392 4.400 -2.133 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -5.830 5.069 -3.293 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.328 4.811 -4.166 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -5.950 7.337 -3.784 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.469 7.086 -4.621 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.060 8.291 -1.978 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.562 8.158 -2.872 1.00 0.00 H new ATOM 88 N PRO A 8 -6.271 3.359 -1.029 1.00 0.00 N ATOM 89 CA PRO A 8 -5.350 2.746 -0.046 1.00 0.00 C ATOM 90 C PRO A 8 -3.982 3.449 -0.091 1.00 0.00 C ATOM 91 O PRO A 8 -3.864 4.569 -0.547 1.00 0.00 O ATOM 92 CB PRO A 8 -5.233 1.265 -0.482 1.00 0.00 C ATOM 93 CG PRO A 8 -5.990 1.116 -1.833 1.00 0.00 C ATOM 94 CD PRO A 8 -6.724 2.448 -2.104 1.00 0.00 C ATOM 0 HA PRO A 8 -5.710 2.836 0.979 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.187 0.980 -0.595 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.663 0.607 0.273 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.293 0.891 -2.640 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.700 0.290 -1.786 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.474 2.844 -3.088 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.806 2.315 -2.079 1.00 0.00 H new ATOM 102 N THR A 9 -2.951 2.795 0.381 1.00 0.00 N ATOM 103 CA THR A 9 -1.596 3.420 0.367 1.00 0.00 C ATOM 104 C THR A 9 -0.523 2.330 0.395 1.00 0.00 C ATOM 105 O THR A 9 -0.541 1.443 1.226 1.00 0.00 O ATOM 106 CB THR A 9 -1.438 4.317 1.596 1.00 0.00 C ATOM 107 OG1 THR A 9 -2.610 5.103 1.757 1.00 0.00 O ATOM 108 CG2 THR A 9 -0.226 5.233 1.414 1.00 0.00 C ATOM 0 H THR A 9 -2.990 1.855 0.775 1.00 0.00 H new ATOM 0 HA THR A 9 -1.483 4.014 -0.540 1.00 0.00 H new ATOM 0 HB THR A 9 -1.289 3.698 2.481 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.981 5.321 0.877 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.117 5.870 2.291 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.672 4.628 1.291 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.369 5.854 0.530 1.00 0.00 H new ATOM 116 N ALA A 10 0.412 2.396 -0.510 1.00 0.00 N ATOM 117 CA ALA A 10 1.494 1.375 -0.551 1.00 0.00 C ATOM 118 C ALA A 10 2.422 1.551 0.652 1.00 0.00 C ATOM 119 O ALA A 10 3.479 2.142 0.546 1.00 0.00 O ATOM 120 CB ALA A 10 2.298 1.551 -1.837 1.00 0.00 C ATOM 0 H ALA A 10 0.473 3.118 -1.228 1.00 0.00 H new ATOM 0 HA ALA A 10 1.052 0.379 -0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.093 0.806 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.641 1.423 -2.697 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.735 2.549 -1.859 1.00 0.00 H new ATOM 126 N CYS A 11 2.041 1.031 1.791 1.00 0.00 N ATOM 127 CA CYS A 11 2.899 1.149 3.013 1.00 0.00 C ATOM 128 C CYS A 11 3.485 -0.226 3.339 1.00 0.00 C ATOM 129 O CYS A 11 2.812 -1.233 3.247 1.00 0.00 O ATOM 130 CB CYS A 11 2.045 1.633 4.189 1.00 0.00 C ATOM 131 SG CYS A 11 1.192 3.164 3.728 1.00 0.00 S ATOM 0 H CYS A 11 1.166 0.526 1.930 1.00 0.00 H new ATOM 0 HA CYS A 11 3.704 1.862 2.835 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.319 0.868 4.464 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.674 1.804 5.063 1.00 0.00 H new ATOM 136 N CYS A 12 4.735 -0.281 3.713 1.00 0.00 N ATOM 137 CA CYS A 12 5.354 -1.597 4.038 1.00 0.00 C ATOM 138 C CYS A 12 4.800 -2.104 5.370 1.00 0.00 C ATOM 139 O CYS A 12 4.500 -1.334 6.261 1.00 0.00 O ATOM 140 CB CYS A 12 6.874 -1.441 4.147 1.00 0.00 C ATOM 141 SG CYS A 12 7.564 -1.078 2.514 1.00 0.00 S ATOM 0 H CYS A 12 5.352 0.526 3.807 1.00 0.00 H new ATOM 0 HA CYS A 12 5.120 -2.310 3.248 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.119 -0.639 4.843 1.00 0.00 H new ATOM 0 HB3 CYS A 12 7.316 -2.354 4.545 1.00 0.00 H new ATOM 146 N PHE A 13 4.666 -3.398 5.513 1.00 0.00 N ATOM 147 CA PHE A 13 4.135 -3.975 6.787 1.00 0.00 C ATOM 148 C PHE A 13 5.295 -4.562 7.588 1.00 0.00 C ATOM 149 O PHE A 13 5.200 -4.770 8.781 1.00 0.00 O ATOM 150 CB PHE A 13 3.144 -5.090 6.462 1.00 0.00 C ATOM 151 CG PHE A 13 3.848 -6.166 5.675 1.00 0.00 C ATOM 152 CD1 PHE A 13 4.097 -5.982 4.302 1.00 0.00 C ATOM 153 CD2 PHE A 13 4.259 -7.352 6.314 1.00 0.00 C ATOM 154 CE1 PHE A 13 4.755 -6.985 3.567 1.00 0.00 C ATOM 155 CE2 PHE A 13 4.918 -8.355 5.579 1.00 0.00 C ATOM 156 CZ PHE A 13 5.166 -8.172 4.204 1.00 0.00 C ATOM 0 H PHE A 13 4.903 -4.085 4.797 1.00 0.00 H new ATOM 0 HA PHE A 13 3.637 -3.196 7.364 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.732 -5.506 7.381 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.306 -4.693 5.889 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.783 -5.072 3.813 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.068 -7.492 7.368 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.945 -6.845 2.513 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.233 -9.265 6.069 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.671 -8.942 3.639 1.00 0.00 H new ATOM 166 N SER A 14 6.390 -4.831 6.934 1.00 0.00 N ATOM 167 CA SER A 14 7.567 -5.406 7.643 1.00 0.00 C ATOM 168 C SER A 14 8.830 -5.082 6.846 1.00 0.00 C ATOM 169 O SER A 14 8.901 -4.082 6.160 1.00 0.00 O ATOM 170 CB SER A 14 7.405 -6.922 7.753 1.00 0.00 C ATOM 171 OG SER A 14 7.706 -7.520 6.499 1.00 0.00 O ATOM 0 H SER A 14 6.521 -4.677 5.934 1.00 0.00 H new ATOM 0 HA SER A 14 7.642 -4.980 8.644 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.067 -7.315 8.524 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.386 -7.169 8.051 1.00 0.00 H new ATOM 0 HG SER A 14 6.879 -7.842 6.083 1.00 0.00 H new ATOM 177 N TYR A 15 9.832 -5.915 6.930 1.00 0.00 N ATOM 178 CA TYR A 15 11.092 -5.645 6.175 1.00 0.00 C ATOM 179 C TYR A 15 11.814 -6.966 5.907 1.00 0.00 C ATOM 180 O TYR A 15 11.596 -7.951 6.584 1.00 0.00 O ATOM 181 CB TYR A 15 11.999 -4.727 7.007 1.00 0.00 C ATOM 182 CG TYR A 15 11.168 -3.671 7.693 1.00 0.00 C ATOM 183 CD1 TYR A 15 10.810 -2.496 7.005 1.00 0.00 C ATOM 184 CD2 TYR A 15 10.751 -3.861 9.025 1.00 0.00 C ATOM 185 CE1 TYR A 15 10.034 -1.512 7.648 1.00 0.00 C ATOM 186 CE2 TYR A 15 9.975 -2.878 9.668 1.00 0.00 C ATOM 187 CZ TYR A 15 9.617 -1.703 8.978 1.00 0.00 C ATOM 188 OH TYR A 15 8.857 -0.738 9.608 1.00 0.00 O ATOM 0 H TYR A 15 9.834 -6.769 7.487 1.00 0.00 H new ATOM 0 HA TYR A 15 10.854 -5.160 5.228 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.543 -5.313 7.748 1.00 0.00 H new ATOM 0 HB3 TYR A 15 12.743 -4.256 6.364 1.00 0.00 H new ATOM 0 HD1 TYR A 15 11.130 -2.349 5.984 1.00 0.00 H new ATOM 0 HD2 TYR A 15 11.027 -4.762 9.553 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.759 -0.611 7.120 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.655 -3.024 10.689 1.00 0.00 H new ATOM 0 HH TYR A 15 8.653 -1.027 10.522 1.00 0.00 H new ATOM 198 N THR A 16 12.681 -6.992 4.932 1.00 0.00 N ATOM 199 CA THR A 16 13.421 -8.251 4.641 1.00 0.00 C ATOM 200 C THR A 16 14.219 -8.651 5.886 1.00 0.00 C ATOM 201 O THR A 16 13.898 -8.251 6.987 1.00 0.00 O ATOM 202 CB THR A 16 14.353 -8.040 3.440 1.00 0.00 C ATOM 203 OG1 THR A 16 15.103 -9.222 3.204 1.00 0.00 O ATOM 204 CG2 THR A 16 15.304 -6.874 3.709 1.00 0.00 C ATOM 0 H THR A 16 12.907 -6.202 4.328 1.00 0.00 H new ATOM 0 HA THR A 16 12.723 -9.050 4.391 1.00 0.00 H new ATOM 0 HB THR A 16 13.750 -7.810 2.561 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.696 -9.085 2.436 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.960 -6.734 2.850 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.727 -5.965 3.877 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.904 -7.091 4.593 1.00 0.00 H new ATOM 212 N ALA A 17 15.250 -9.438 5.734 1.00 0.00 N ATOM 213 CA ALA A 17 16.052 -9.860 6.922 1.00 0.00 C ATOM 214 C ALA A 17 17.521 -9.976 6.527 1.00 0.00 C ATOM 215 O ALA A 17 18.322 -10.547 7.239 1.00 0.00 O ATOM 216 CB ALA A 17 15.552 -11.221 7.409 1.00 0.00 C ATOM 0 H ALA A 17 15.573 -9.808 4.840 1.00 0.00 H new ATOM 0 HA ALA A 17 15.945 -9.122 7.717 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.134 -11.534 8.276 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.501 -11.144 7.686 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.664 -11.956 6.612 1.00 0.00 H new ATOM 222 N ARG A 18 17.883 -9.440 5.391 1.00 0.00 N ATOM 223 CA ARG A 18 19.303 -9.521 4.941 1.00 0.00 C ATOM 224 C ARG A 18 19.684 -8.238 4.202 1.00 0.00 C ATOM 225 O ARG A 18 18.977 -7.780 3.326 1.00 0.00 O ATOM 226 CB ARG A 18 19.461 -10.716 4.001 1.00 0.00 C ATOM 227 CG ARG A 18 18.963 -11.980 4.705 1.00 0.00 C ATOM 228 CD ARG A 18 19.445 -13.215 3.945 1.00 0.00 C ATOM 229 NE ARG A 18 19.133 -13.062 2.496 1.00 0.00 N ATOM 230 CZ ARG A 18 19.705 -13.841 1.621 1.00 0.00 C ATOM 231 NH1 ARG A 18 20.551 -14.754 2.013 1.00 0.00 N ATOM 232 NH2 ARG A 18 19.430 -13.710 0.351 1.00 0.00 N ATOM 0 H ARG A 18 17.255 -8.949 4.755 1.00 0.00 H new ATOM 0 HA ARG A 18 19.954 -9.642 5.807 1.00 0.00 H new ATOM 0 HB2 ARG A 18 18.896 -10.550 3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.506 -10.833 3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 18 19.331 -12.006 5.731 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.874 -11.974 4.757 1.00 0.00 H new ATOM 0 HD2 ARG A 18 20.518 -13.345 4.085 1.00 0.00 H new ATOM 0 HD3 ARG A 18 18.962 -14.109 4.339 1.00 0.00 H new ATOM 0 HE ARG A 18 18.472 -12.348 2.189 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.765 -14.859 3.005 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.998 -15.363 1.328 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.768 -12.998 0.043 1.00 0.00 H new ATOM 0 HH22 ARG A 18 19.878 -14.320 -0.333 1.00 0.00 H new ATOM 246 N LYS A 19 20.803 -7.661 4.541 1.00 0.00 N ATOM 247 CA LYS A 19 21.239 -6.416 3.852 1.00 0.00 C ATOM 248 C LYS A 19 21.470 -6.740 2.374 1.00 0.00 C ATOM 249 O LYS A 19 22.201 -7.650 2.035 1.00 0.00 O ATOM 250 CB LYS A 19 22.537 -5.913 4.512 1.00 0.00 C ATOM 251 CG LYS A 19 23.159 -4.742 3.722 1.00 0.00 C ATOM 252 CD LYS A 19 24.606 -4.512 4.179 1.00 0.00 C ATOM 253 CE LYS A 19 24.679 -4.439 5.708 1.00 0.00 C ATOM 254 NZ LYS A 19 24.676 -5.818 6.275 1.00 0.00 N ATOM 0 H LYS A 19 21.435 -7.999 5.267 1.00 0.00 H new ATOM 0 HA LYS A 19 20.482 -5.636 3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 19 22.327 -5.593 5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 19 23.254 -6.731 4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 19 23.136 -4.960 2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 19 22.572 -3.836 3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 19 25.241 -5.320 3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 19 24.988 -3.588 3.746 1.00 0.00 H new ATOM 0 HE2 LYS A 19 25.582 -3.911 6.014 1.00 0.00 H new ATOM 0 HE3 LYS A 19 23.832 -3.873 6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 23.737 -6.029 6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 24.897 -6.503 5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 25.391 -5.886 7.027 1.00 0.00 H new ATOM 268 N LEU A 20 20.853 -6.002 1.492 1.00 0.00 N ATOM 269 CA LEU A 20 21.040 -6.269 0.040 1.00 0.00 C ATOM 270 C LEU A 20 22.448 -5.791 -0.385 1.00 0.00 C ATOM 271 O LEU A 20 22.746 -4.626 -0.217 1.00 0.00 O ATOM 272 CB LEU A 20 20.003 -5.475 -0.759 1.00 0.00 C ATOM 273 CG LEU A 20 18.606 -5.667 -0.166 1.00 0.00 C ATOM 274 CD1 LEU A 20 17.577 -5.058 -1.120 1.00 0.00 C ATOM 275 CD2 LEU A 20 18.308 -7.160 0.013 1.00 0.00 C ATOM 0 H LEU A 20 20.229 -5.227 1.715 1.00 0.00 H new ATOM 0 HA LEU A 20 20.926 -7.336 -0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.264 -4.417 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.010 -5.800 -1.799 1.00 0.00 H new ATOM 0 HG LEU A 20 18.556 -5.177 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.576 -5.189 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 20 17.782 -3.995 -1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.639 -5.556 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.311 -7.284 0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 20 18.356 -7.659 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.044 -7.600 0.685 1.00 0.00 H new ATOM 287 N PRO A 21 23.285 -6.660 -0.935 1.00 0.00 N ATOM 288 CA PRO A 21 24.627 -6.230 -1.367 1.00 0.00 C ATOM 289 C PRO A 21 24.506 -5.049 -2.332 1.00 0.00 C ATOM 290 O PRO A 21 23.587 -4.979 -3.121 1.00 0.00 O ATOM 291 CB PRO A 21 25.235 -7.462 -2.075 1.00 0.00 C ATOM 292 CG PRO A 21 24.277 -8.659 -1.821 1.00 0.00 C ATOM 293 CD PRO A 21 22.994 -8.094 -1.170 1.00 0.00 C ATOM 0 HA PRO A 21 25.250 -5.899 -0.536 1.00 0.00 H new ATOM 0 HB2 PRO A 21 25.344 -7.277 -3.144 1.00 0.00 H new ATOM 0 HB3 PRO A 21 26.230 -7.677 -1.686 1.00 0.00 H new ATOM 0 HG2 PRO A 21 24.041 -9.167 -2.756 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.747 -9.395 -1.168 1.00 0.00 H new ATOM 0 HD2 PRO A 21 22.131 -8.220 -1.824 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.765 -8.609 -0.237 1.00 0.00 H new ATOM 301 N ARG A 22 25.430 -4.132 -2.292 1.00 0.00 N ATOM 302 CA ARG A 22 25.362 -2.980 -3.231 1.00 0.00 C ATOM 303 C ARG A 22 25.168 -3.521 -4.649 1.00 0.00 C ATOM 304 O ARG A 22 24.501 -2.924 -5.470 1.00 0.00 O ATOM 305 CB ARG A 22 26.664 -2.178 -3.159 1.00 0.00 C ATOM 306 CG ARG A 22 26.594 -0.999 -4.132 1.00 0.00 C ATOM 307 CD ARG A 22 27.705 0.001 -3.806 1.00 0.00 C ATOM 308 NE ARG A 22 27.573 1.193 -4.689 1.00 0.00 N ATOM 309 CZ ARG A 22 28.211 2.293 -4.398 1.00 0.00 C ATOM 310 NH1 ARG A 22 28.960 2.350 -3.330 1.00 0.00 N ATOM 311 NH2 ARG A 22 28.098 3.337 -5.173 1.00 0.00 N ATOM 0 H ARG A 22 26.225 -4.130 -1.653 1.00 0.00 H new ATOM 0 HA ARG A 22 24.531 -2.328 -2.963 1.00 0.00 H new ATOM 0 HB2 ARG A 22 26.824 -1.816 -2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 22 27.511 -2.817 -3.407 1.00 0.00 H new ATOM 0 HG2 ARG A 22 26.699 -1.354 -5.157 1.00 0.00 H new ATOM 0 HG3 ARG A 22 25.621 -0.513 -4.061 1.00 0.00 H new ATOM 0 HD2 ARG A 22 27.644 0.301 -2.760 1.00 0.00 H new ATOM 0 HD3 ARG A 22 28.681 -0.464 -3.948 1.00 0.00 H new ATOM 0 HE ARG A 22 26.984 1.149 -5.521 1.00 0.00 H new ATOM 0 HH11 ARG A 22 29.046 1.535 -2.723 1.00 0.00 H new ATOM 0 HH12 ARG A 22 29.459 3.210 -3.102 1.00 0.00 H new ATOM 0 HH21 ARG A 22 27.511 3.293 -6.006 1.00 0.00 H new ATOM 0 HH22 ARG A 22 28.597 4.197 -4.946 1.00 0.00 H new ATOM 325 N ASN A 23 25.745 -4.659 -4.931 1.00 0.00 N ATOM 326 CA ASN A 23 25.598 -5.260 -6.287 1.00 0.00 C ATOM 327 C ASN A 23 24.181 -5.815 -6.450 1.00 0.00 C ATOM 328 O ASN A 23 23.913 -6.603 -7.336 1.00 0.00 O ATOM 329 CB ASN A 23 26.611 -6.396 -6.452 1.00 0.00 C ATOM 330 CG ASN A 23 28.020 -5.869 -6.169 1.00 0.00 C ATOM 331 OD1 ASN A 23 28.731 -5.485 -7.077 1.00 0.00 O ATOM 332 ND2 ASN A 23 28.456 -5.836 -4.940 1.00 0.00 N ATOM 0 H ASN A 23 26.313 -5.199 -4.278 1.00 0.00 H new ATOM 0 HA ASN A 23 25.778 -4.497 -7.044 1.00 0.00 H new ATOM 0 HB2 ASN A 23 26.373 -7.212 -5.770 1.00 0.00 H new ATOM 0 HB3 ASN A 23 26.559 -6.800 -7.463 1.00 0.00 H new ATOM 0 HD21 ASN A 23 29.394 -5.488 -4.741 1.00 0.00 H new ATOM 0 HD22 ASN A 23 27.859 -6.158 -4.178 1.00 0.00 H new ATOM 339 N PHE A 24 23.273 -5.416 -5.597 1.00 0.00 N ATOM 340 CA PHE A 24 21.867 -5.926 -5.690 1.00 0.00 C ATOM 341 C PHE A 24 20.899 -4.773 -5.400 1.00 0.00 C ATOM 342 O PHE A 24 19.802 -4.976 -4.921 1.00 0.00 O ATOM 343 CB PHE A 24 21.678 -7.050 -4.654 1.00 0.00 C ATOM 344 CG PHE A 24 20.508 -7.942 -5.034 1.00 0.00 C ATOM 345 CD1 PHE A 24 20.520 -8.646 -6.258 1.00 0.00 C ATOM 346 CD2 PHE A 24 19.411 -8.081 -4.157 1.00 0.00 C ATOM 347 CE1 PHE A 24 19.438 -9.480 -6.601 1.00 0.00 C ATOM 348 CE2 PHE A 24 18.332 -8.916 -4.504 1.00 0.00 C ATOM 349 CZ PHE A 24 18.345 -9.615 -5.724 1.00 0.00 C ATOM 0 H PHE A 24 23.443 -4.757 -4.837 1.00 0.00 H new ATOM 0 HA PHE A 24 21.668 -6.318 -6.688 1.00 0.00 H new ATOM 0 HB2 PHE A 24 22.588 -7.646 -4.587 1.00 0.00 H new ATOM 0 HB3 PHE A 24 21.506 -6.617 -3.668 1.00 0.00 H new ATOM 0 HD1 PHE A 24 21.359 -8.545 -6.931 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.399 -7.546 -3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 24 19.447 -10.017 -7.538 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.493 -9.020 -3.832 1.00 0.00 H new ATOM 0 HZ PHE A 24 17.517 -10.255 -5.988 1.00 0.00 H new ATOM 359 N VAL A 25 21.303 -3.565 -5.695 1.00 0.00 N ATOM 360 CA VAL A 25 20.420 -2.385 -5.449 1.00 0.00 C ATOM 361 C VAL A 25 20.731 -1.303 -6.488 1.00 0.00 C ATOM 362 O VAL A 25 21.559 -0.441 -6.270 1.00 0.00 O ATOM 363 CB VAL A 25 20.684 -1.826 -4.048 1.00 0.00 C ATOM 364 CG1 VAL A 25 19.704 -0.688 -3.760 1.00 0.00 C ATOM 365 CG2 VAL A 25 20.490 -2.930 -3.007 1.00 0.00 C ATOM 0 H VAL A 25 22.213 -3.343 -6.099 1.00 0.00 H new ATOM 0 HA VAL A 25 19.376 -2.689 -5.527 1.00 0.00 H new ATOM 0 HB VAL A 25 21.707 -1.453 -3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 25 19.892 -0.290 -2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 25 19.838 0.103 -4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 25 18.683 -1.065 -3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 25 20.679 -2.529 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 25 19.468 -3.304 -3.060 1.00 0.00 H new ATOM 0 HG23 VAL A 25 21.185 -3.745 -3.207 1.00 0.00 H new ATOM 375 N VAL A 26 20.077 -1.344 -7.618 1.00 0.00 N ATOM 376 CA VAL A 26 20.338 -0.326 -8.673 1.00 0.00 C ATOM 377 C VAL A 26 19.528 0.936 -8.387 1.00 0.00 C ATOM 378 O VAL A 26 19.745 1.970 -8.987 1.00 0.00 O ATOM 379 CB VAL A 26 19.923 -0.894 -10.028 1.00 0.00 C ATOM 380 CG1 VAL A 26 20.650 -2.215 -10.269 1.00 0.00 C ATOM 381 CG2 VAL A 26 18.411 -1.135 -10.040 1.00 0.00 C ATOM 0 H VAL A 26 19.371 -2.041 -7.855 1.00 0.00 H new ATOM 0 HA VAL A 26 21.399 -0.077 -8.682 1.00 0.00 H new ATOM 0 HB VAL A 26 20.184 -0.186 -10.814 1.00 0.00 H new ATOM 0 HG11 VAL A 26 20.355 -2.622 -11.236 1.00 0.00 H new ATOM 0 HG12 VAL A 26 21.727 -2.045 -10.260 1.00 0.00 H new ATOM 0 HG13 VAL A 26 20.388 -2.923 -9.483 1.00 0.00 H new ATOM 0 HG21 VAL A 26 18.115 -1.540 -11.007 1.00 0.00 H new ATOM 0 HG22 VAL A 26 18.149 -1.843 -9.254 1.00 0.00 H new ATOM 0 HG23 VAL A 26 17.891 -0.193 -9.867 1.00 0.00 H new ATOM 391 N ASP A 27 18.594 0.863 -7.485 1.00 0.00 N ATOM 392 CA ASP A 27 17.775 2.067 -7.179 1.00 0.00 C ATOM 393 C ASP A 27 16.931 1.805 -5.938 1.00 0.00 C ATOM 394 O ASP A 27 17.087 0.801 -5.272 1.00 0.00 O ATOM 395 CB ASP A 27 16.854 2.365 -8.365 1.00 0.00 C ATOM 396 CG ASP A 27 16.252 3.762 -8.209 1.00 0.00 C ATOM 397 OD1 ASP A 27 16.920 4.613 -7.644 1.00 0.00 O ATOM 398 OD2 ASP A 27 15.133 3.958 -8.656 1.00 0.00 O ATOM 0 H ASP A 27 18.362 0.027 -6.948 1.00 0.00 H new ATOM 0 HA ASP A 27 18.431 2.919 -6.999 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.414 2.301 -9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 27 16.060 1.620 -8.418 1.00 0.00 H new ATOM 403 N TYR A 28 16.032 2.694 -5.622 1.00 0.00 N ATOM 404 CA TYR A 28 15.177 2.485 -4.425 1.00 0.00 C ATOM 405 C TYR A 28 13.871 3.260 -4.575 1.00 0.00 C ATOM 406 O TYR A 28 13.595 3.858 -5.596 1.00 0.00 O ATOM 407 CB TYR A 28 15.917 2.938 -3.161 1.00 0.00 C ATOM 408 CG TYR A 28 15.997 4.452 -3.097 1.00 0.00 C ATOM 409 CD1 TYR A 28 16.721 5.164 -4.074 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.361 5.147 -2.049 1.00 0.00 C ATOM 411 CE1 TYR A 28 16.803 6.567 -4.005 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.444 6.548 -1.978 1.00 0.00 C ATOM 413 CZ TYR A 28 16.166 7.261 -2.956 1.00 0.00 C ATOM 414 OH TYR A 28 16.249 8.637 -2.887 1.00 0.00 O ATOM 0 H TYR A 28 15.854 3.554 -6.141 1.00 0.00 H new ATOM 0 HA TYR A 28 14.949 1.423 -4.336 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.403 2.559 -2.278 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.922 2.515 -3.151 1.00 0.00 H new ATOM 0 HD1 TYR A 28 17.213 4.633 -4.876 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.808 4.601 -1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 28 17.354 7.113 -4.756 1.00 0.00 H new ATOM 0 HE2 TYR A 28 14.955 7.078 -1.174 1.00 0.00 H new ATOM 0 HH TYR A 28 17.186 8.903 -2.782 1.00 0.00 H new ATOM 424 N TYR A 29 13.065 3.229 -3.561 1.00 0.00 N ATOM 425 CA TYR A 29 11.757 3.930 -3.610 1.00 0.00 C ATOM 426 C TYR A 29 11.261 4.118 -2.172 1.00 0.00 C ATOM 427 O TYR A 29 11.349 3.221 -1.364 1.00 0.00 O ATOM 428 CB TYR A 29 10.783 3.062 -4.424 1.00 0.00 C ATOM 429 CG TYR A 29 9.352 3.464 -4.152 1.00 0.00 C ATOM 430 CD1 TYR A 29 8.887 4.719 -4.579 1.00 0.00 C ATOM 431 CD2 TYR A 29 8.489 2.583 -3.473 1.00 0.00 C ATOM 432 CE1 TYR A 29 7.554 5.097 -4.326 1.00 0.00 C ATOM 433 CE2 TYR A 29 7.157 2.959 -3.220 1.00 0.00 C ATOM 434 CZ TYR A 29 6.688 4.217 -3.646 1.00 0.00 C ATOM 435 OH TYR A 29 5.382 4.588 -3.398 1.00 0.00 O ATOM 0 H TYR A 29 13.257 2.741 -2.686 1.00 0.00 H new ATOM 0 HA TYR A 29 11.838 4.909 -4.083 1.00 0.00 H new ATOM 0 HB2 TYR A 29 10.999 3.165 -5.487 1.00 0.00 H new ATOM 0 HB3 TYR A 29 10.925 2.012 -4.170 1.00 0.00 H new ATOM 0 HD1 TYR A 29 9.551 5.393 -5.100 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.849 1.619 -3.146 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.195 6.062 -4.653 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.494 2.283 -2.699 1.00 0.00 H new ATOM 0 HH TYR A 29 4.922 3.866 -2.921 1.00 0.00 H new ATOM 445 N GLU A 30 10.753 5.275 -1.836 1.00 0.00 N ATOM 446 CA GLU A 30 10.265 5.502 -0.438 1.00 0.00 C ATOM 447 C GLU A 30 8.753 5.262 -0.374 1.00 0.00 C ATOM 448 O GLU A 30 8.052 5.365 -1.361 1.00 0.00 O ATOM 449 CB GLU A 30 10.572 6.943 -0.021 1.00 0.00 C ATOM 450 CG GLU A 30 12.060 7.076 0.313 1.00 0.00 C ATOM 451 CD GLU A 30 12.379 8.533 0.651 1.00 0.00 C ATOM 452 OE1 GLU A 30 11.839 9.405 -0.009 1.00 0.00 O ATOM 453 OE2 GLU A 30 13.157 8.753 1.565 1.00 0.00 O ATOM 0 H GLU A 30 10.654 6.072 -2.465 1.00 0.00 H new ATOM 0 HA GLU A 30 10.768 4.811 0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.307 7.629 -0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.969 7.218 0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.313 6.432 1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.664 6.747 -0.533 1.00 0.00 H new ATOM 460 N THR A 31 8.250 4.933 0.787 1.00 0.00 N ATOM 461 CA THR A 31 6.784 4.673 0.932 1.00 0.00 C ATOM 462 C THR A 31 6.004 5.988 0.872 1.00 0.00 C ATOM 463 O THR A 31 6.521 7.017 0.485 1.00 0.00 O ATOM 464 CB THR A 31 6.529 4.001 2.283 1.00 0.00 C ATOM 465 OG1 THR A 31 7.252 4.692 3.284 1.00 0.00 O ATOM 466 CG2 THR A 31 6.985 2.541 2.222 1.00 0.00 C ATOM 0 H THR A 31 8.792 4.832 1.645 1.00 0.00 H new ATOM 0 HA THR A 31 6.454 4.026 0.119 1.00 0.00 H new ATOM 0 HB THR A 31 5.465 4.030 2.518 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.138 5.658 3.162 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.803 2.063 3.184 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.427 2.018 1.446 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.050 2.502 1.993 1.00 0.00 H new ATOM 474 N SER A 32 4.757 5.952 1.257 1.00 0.00 N ATOM 475 CA SER A 32 3.920 7.184 1.235 1.00 0.00 C ATOM 476 C SER A 32 4.120 7.964 2.534 1.00 0.00 C ATOM 477 O SER A 32 5.208 8.039 3.070 1.00 0.00 O ATOM 478 CB SER A 32 2.449 6.790 1.108 1.00 0.00 C ATOM 479 OG SER A 32 1.681 7.939 0.777 1.00 0.00 O ATOM 0 H SER A 32 4.279 5.114 1.589 1.00 0.00 H new ATOM 0 HA SER A 32 4.212 7.806 0.389 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.331 6.026 0.340 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.094 6.359 2.044 1.00 0.00 H new ATOM 0 HG SER A 32 0.727 7.727 0.849 1.00 0.00 H new ATOM 485 N SER A 33 3.068 8.547 3.038 1.00 0.00 N ATOM 486 CA SER A 33 3.165 9.336 4.304 1.00 0.00 C ATOM 487 C SER A 33 1.896 9.119 5.121 1.00 0.00 C ATOM 488 O SER A 33 1.925 9.056 6.335 1.00 0.00 O ATOM 489 CB SER A 33 3.285 10.816 3.960 1.00 0.00 C ATOM 490 OG SER A 33 1.993 11.338 3.681 1.00 0.00 O ATOM 0 H SER A 33 2.136 8.512 2.625 1.00 0.00 H new ATOM 0 HA SER A 33 4.036 9.016 4.875 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.738 11.359 4.790 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.938 10.949 3.097 1.00 0.00 H new ATOM 0 HG SER A 33 2.065 12.290 3.461 1.00 0.00 H new ATOM 496 N LEU A 34 0.780 9.014 4.451 1.00 0.00 N ATOM 497 CA LEU A 34 -0.523 8.806 5.150 1.00 0.00 C ATOM 498 C LEU A 34 -0.354 7.822 6.309 1.00 0.00 C ATOM 499 O LEU A 34 -0.673 8.119 7.443 1.00 0.00 O ATOM 500 CB LEU A 34 -1.544 8.235 4.164 1.00 0.00 C ATOM 501 CG LEU A 34 -1.464 8.980 2.831 1.00 0.00 C ATOM 502 CD1 LEU A 34 -2.611 8.518 1.930 1.00 0.00 C ATOM 503 CD2 LEU A 34 -1.578 10.488 3.075 1.00 0.00 C ATOM 0 H LEU A 34 0.714 9.064 3.434 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.868 9.764 5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.355 7.173 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.549 8.322 4.578 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.510 8.767 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.560 9.045 0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.528 7.445 1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.563 8.734 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.521 11.016 2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.532 10.708 3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.763 10.815 3.721 1.00 0.00 H new ATOM 515 N CYS A 35 0.138 6.651 6.027 1.00 0.00 N ATOM 516 CA CYS A 35 0.321 5.646 7.107 1.00 0.00 C ATOM 517 C CYS A 35 1.435 6.109 8.049 1.00 0.00 C ATOM 518 O CYS A 35 2.511 6.469 7.628 1.00 0.00 O ATOM 519 CB CYS A 35 0.675 4.286 6.491 1.00 0.00 C ATOM 520 SG CYS A 35 1.808 4.518 5.098 1.00 0.00 S ATOM 0 H CYS A 35 0.421 6.346 5.096 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.604 5.544 7.674 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.135 3.645 7.243 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.231 3.782 6.154 1.00 0.00 H new ATOM 525 N SER A 36 1.166 6.128 9.325 1.00 0.00 N ATOM 526 CA SER A 36 2.192 6.582 10.307 1.00 0.00 C ATOM 527 C SER A 36 3.380 5.607 10.357 1.00 0.00 C ATOM 528 O SER A 36 3.993 5.439 11.393 1.00 0.00 O ATOM 529 CB SER A 36 1.554 6.667 11.694 1.00 0.00 C ATOM 530 OG SER A 36 0.533 7.656 11.681 1.00 0.00 O ATOM 0 H SER A 36 0.274 5.847 9.733 1.00 0.00 H new ATOM 0 HA SER A 36 2.560 7.560 9.996 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.136 5.700 11.975 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.309 6.917 12.440 1.00 0.00 H new ATOM 0 HG SER A 36 0.121 7.712 12.568 1.00 0.00 H new ATOM 536 N GLN A 37 3.723 4.958 9.270 1.00 0.00 N ATOM 537 CA GLN A 37 4.879 4.007 9.326 1.00 0.00 C ATOM 538 C GLN A 37 5.529 3.845 7.943 1.00 0.00 C ATOM 539 O GLN A 37 5.512 2.764 7.393 1.00 0.00 O ATOM 540 CB GLN A 37 4.384 2.641 9.811 1.00 0.00 C ATOM 541 CG GLN A 37 3.117 2.248 9.046 1.00 0.00 C ATOM 542 CD GLN A 37 2.798 0.775 9.311 1.00 0.00 C ATOM 543 OE1 GLN A 37 3.060 -0.074 8.482 1.00 0.00 O ATOM 544 NE2 GLN A 37 2.240 0.434 10.440 1.00 0.00 N ATOM 0 H GLN A 37 3.263 5.042 8.363 1.00 0.00 H new ATOM 0 HA GLN A 37 5.623 4.408 10.014 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.159 1.889 9.661 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.178 2.677 10.881 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.281 2.874 9.359 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.258 2.414 7.978 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.020 1.147 11.136 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.024 -0.545 10.627 1.00 0.00 H new ATOM 553 N PRO A 38 6.104 4.908 7.424 1.00 0.00 N ATOM 554 CA PRO A 38 6.780 4.855 6.113 1.00 0.00 C ATOM 555 C PRO A 38 8.024 3.963 6.225 1.00 0.00 C ATOM 556 O PRO A 38 8.344 3.449 7.278 1.00 0.00 O ATOM 557 CB PRO A 38 7.168 6.322 5.808 1.00 0.00 C ATOM 558 CG PRO A 38 6.844 7.163 7.078 1.00 0.00 C ATOM 559 CD PRO A 38 6.128 6.232 8.084 1.00 0.00 C ATOM 0 HA PRO A 38 6.156 4.438 5.322 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.227 6.395 5.559 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.612 6.695 4.948 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.758 7.567 7.513 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.210 8.012 6.824 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.662 6.191 9.034 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.119 6.584 8.300 1.00 0.00 H new ATOM 567 N ALA A 39 8.723 3.785 5.145 1.00 0.00 N ATOM 568 CA ALA A 39 9.943 2.945 5.160 1.00 0.00 C ATOM 569 C ALA A 39 10.666 3.140 3.833 1.00 0.00 C ATOM 570 O ALA A 39 10.109 3.671 2.894 1.00 0.00 O ATOM 571 CB ALA A 39 9.556 1.473 5.317 1.00 0.00 C ATOM 0 H ALA A 39 8.496 4.193 4.238 1.00 0.00 H new ATOM 0 HA ALA A 39 10.587 3.230 5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.457 0.859 5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.013 1.337 6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.922 1.173 4.483 1.00 0.00 H new ATOM 577 N VAL A 40 11.888 2.696 3.729 1.00 0.00 N ATOM 578 CA VAL A 40 12.622 2.841 2.438 1.00 0.00 C ATOM 579 C VAL A 40 12.491 1.523 1.687 1.00 0.00 C ATOM 580 O VAL A 40 12.523 0.460 2.274 1.00 0.00 O ATOM 581 CB VAL A 40 14.102 3.150 2.704 1.00 0.00 C ATOM 582 CG1 VAL A 40 14.920 2.913 1.431 1.00 0.00 C ATOM 583 CG2 VAL A 40 14.241 4.614 3.119 1.00 0.00 C ATOM 0 H VAL A 40 12.409 2.241 4.478 1.00 0.00 H new ATOM 0 HA VAL A 40 12.207 3.660 1.851 1.00 0.00 H new ATOM 0 HB VAL A 40 14.469 2.498 3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 40 15.969 3.134 1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 40 14.820 1.872 1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.554 3.564 0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.290 4.840 3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.871 5.256 2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.661 4.792 4.025 1.00 0.00 H new ATOM 593 N VAL A 41 12.331 1.589 0.392 1.00 0.00 N ATOM 594 CA VAL A 41 12.179 0.342 -0.424 1.00 0.00 C ATOM 595 C VAL A 41 13.331 0.244 -1.427 1.00 0.00 C ATOM 596 O VAL A 41 13.511 1.100 -2.264 1.00 0.00 O ATOM 597 CB VAL A 41 10.836 0.389 -1.164 1.00 0.00 C ATOM 598 CG1 VAL A 41 10.444 -1.019 -1.605 1.00 0.00 C ATOM 599 CG2 VAL A 41 9.753 0.933 -0.225 1.00 0.00 C ATOM 0 H VAL A 41 12.298 2.458 -0.142 1.00 0.00 H new ATOM 0 HA VAL A 41 12.202 -0.533 0.225 1.00 0.00 H new ATOM 0 HB VAL A 41 10.931 1.036 -2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.490 -0.983 -2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.210 -1.418 -2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.352 -1.662 -0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.799 0.966 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 41 9.665 0.282 0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.024 1.938 0.099 1.00 0.00 H new ATOM 609 N PHE A 42 14.125 -0.791 -1.344 1.00 0.00 N ATOM 610 CA PHE A 42 15.278 -0.927 -2.289 1.00 0.00 C ATOM 611 C PHE A 42 14.860 -1.706 -3.539 1.00 0.00 C ATOM 612 O PHE A 42 14.196 -2.721 -3.464 1.00 0.00 O ATOM 613 CB PHE A 42 16.423 -1.681 -1.599 1.00 0.00 C ATOM 614 CG PHE A 42 17.121 -0.773 -0.608 1.00 0.00 C ATOM 615 CD1 PHE A 42 17.804 0.373 -1.061 1.00 0.00 C ATOM 616 CD2 PHE A 42 17.097 -1.081 0.766 1.00 0.00 C ATOM 617 CE1 PHE A 42 18.459 1.211 -0.140 1.00 0.00 C ATOM 618 CE2 PHE A 42 17.754 -0.243 1.686 1.00 0.00 C ATOM 619 CZ PHE A 42 18.435 0.903 1.234 1.00 0.00 C ATOM 0 H PHE A 42 14.028 -1.547 -0.666 1.00 0.00 H new ATOM 0 HA PHE A 42 15.604 0.072 -2.579 1.00 0.00 H new ATOM 0 HB2 PHE A 42 16.033 -2.560 -1.086 1.00 0.00 H new ATOM 0 HB3 PHE A 42 17.136 -2.036 -2.343 1.00 0.00 H new ATOM 0 HD1 PHE A 42 17.825 0.608 -2.115 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.575 -1.960 1.114 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.980 2.091 -0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.736 -0.479 2.740 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.939 1.546 1.941 1.00 0.00 H new ATOM 629 N GLN A 43 15.278 -1.244 -4.688 1.00 0.00 N ATOM 630 CA GLN A 43 14.955 -1.950 -5.965 1.00 0.00 C ATOM 631 C GLN A 43 16.186 -2.780 -6.350 1.00 0.00 C ATOM 632 O GLN A 43 17.275 -2.247 -6.468 1.00 0.00 O ATOM 633 CB GLN A 43 14.653 -0.907 -7.044 1.00 0.00 C ATOM 634 CG GLN A 43 13.384 -0.139 -6.670 1.00 0.00 C ATOM 635 CD GLN A 43 13.233 1.077 -7.586 1.00 0.00 C ATOM 636 OE1 GLN A 43 12.506 1.034 -8.559 1.00 0.00 O ATOM 637 NE2 GLN A 43 13.894 2.168 -7.315 1.00 0.00 N ATOM 0 H GLN A 43 15.836 -0.397 -4.798 1.00 0.00 H new ATOM 0 HA GLN A 43 14.085 -2.598 -5.858 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.492 -0.218 -7.144 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.524 -1.395 -8.010 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.513 -0.788 -6.763 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.433 0.181 -5.629 1.00 0.00 H new ATOM 0 HE21 GLN A 43 14.504 2.205 -6.499 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.801 2.984 -7.919 1.00 0.00 H new ATOM 646 N THR A 44 16.047 -4.086 -6.498 1.00 0.00 N ATOM 647 CA THR A 44 17.255 -4.932 -6.812 1.00 0.00 C ATOM 648 C THR A 44 17.354 -5.279 -8.299 1.00 0.00 C ATOM 649 O THR A 44 16.803 -4.615 -9.154 1.00 0.00 O ATOM 650 CB THR A 44 17.176 -6.234 -6.019 1.00 0.00 C ATOM 651 OG1 THR A 44 16.325 -7.142 -6.698 1.00 0.00 O ATOM 652 CG2 THR A 44 16.616 -5.949 -4.623 1.00 0.00 C ATOM 0 H THR A 44 15.166 -4.594 -6.417 1.00 0.00 H new ATOM 0 HA THR A 44 18.137 -4.352 -6.539 1.00 0.00 H new ATOM 0 HB THR A 44 18.171 -6.668 -5.925 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.664 -8.055 -6.585 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.560 -6.879 -4.057 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.270 -5.248 -4.105 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.619 -5.517 -4.712 1.00 0.00 H new ATOM 660 N LYS A 45 18.086 -6.331 -8.594 1.00 0.00 N ATOM 661 CA LYS A 45 18.284 -6.774 -10.009 1.00 0.00 C ATOM 662 C LYS A 45 17.524 -8.076 -10.270 1.00 0.00 C ATOM 663 O LYS A 45 17.166 -8.374 -11.393 1.00 0.00 O ATOM 664 CB LYS A 45 19.769 -7.047 -10.242 1.00 0.00 C ATOM 665 CG LYS A 45 20.587 -5.822 -9.857 1.00 0.00 C ATOM 666 CD LYS A 45 22.070 -6.089 -10.153 1.00 0.00 C ATOM 667 CE LYS A 45 22.811 -4.763 -10.295 1.00 0.00 C ATOM 668 NZ LYS A 45 22.547 -4.188 -11.644 1.00 0.00 N ATOM 0 H LYS A 45 18.561 -6.908 -7.900 1.00 0.00 H new ATOM 0 HA LYS A 45 17.918 -5.991 -10.674 1.00 0.00 H new ATOM 0 HB2 LYS A 45 20.087 -7.907 -9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.942 -7.296 -11.289 1.00 0.00 H new ATOM 0 HG2 LYS A 45 20.244 -4.951 -10.415 1.00 0.00 H new ATOM 0 HG3 LYS A 45 20.450 -5.597 -8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 45 22.511 -6.679 -9.350 1.00 0.00 H new ATOM 0 HD3 LYS A 45 22.169 -6.672 -11.068 1.00 0.00 H new ATOM 0 HE2 LYS A 45 22.485 -4.068 -9.521 1.00 0.00 H new ATOM 0 HE3 LYS A 45 23.881 -4.916 -10.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 22.831 -3.188 -11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 23.093 -4.712 -12.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 21.533 -4.263 -11.861 1.00 0.00 H new ATOM 682 N ARG A 46 17.297 -8.870 -9.246 1.00 0.00 N ATOM 683 CA ARG A 46 16.587 -10.180 -9.431 1.00 0.00 C ATOM 684 C ARG A 46 15.363 -10.219 -8.512 1.00 0.00 C ATOM 685 O ARG A 46 15.130 -11.169 -7.798 1.00 0.00 O ATOM 686 CB ARG A 46 17.559 -11.327 -9.079 1.00 0.00 C ATOM 687 CG ARG A 46 17.127 -12.660 -9.740 1.00 0.00 C ATOM 688 CD ARG A 46 16.045 -13.380 -8.914 1.00 0.00 C ATOM 689 NE ARG A 46 16.155 -14.859 -9.132 1.00 0.00 N ATOM 690 CZ ARG A 46 16.199 -15.368 -10.336 1.00 0.00 C ATOM 691 NH1 ARG A 46 15.942 -14.631 -11.380 1.00 0.00 N ATOM 692 NH2 ARG A 46 16.443 -16.641 -10.490 1.00 0.00 N ATOM 0 H ARG A 46 17.574 -8.665 -8.286 1.00 0.00 H new ATOM 0 HA ARG A 46 16.258 -10.293 -10.464 1.00 0.00 H new ATOM 0 HB2 ARG A 46 18.565 -11.066 -9.407 1.00 0.00 H new ATOM 0 HB3 ARG A 46 17.599 -11.452 -7.997 1.00 0.00 H new ATOM 0 HG2 ARG A 46 16.748 -12.463 -10.743 1.00 0.00 H new ATOM 0 HG3 ARG A 46 17.995 -13.310 -9.849 1.00 0.00 H new ATOM 0 HD2 ARG A 46 16.165 -13.147 -7.856 1.00 0.00 H new ATOM 0 HD3 ARG A 46 15.055 -13.031 -9.207 1.00 0.00 H new ATOM 0 HE ARG A 46 16.196 -15.481 -8.325 1.00 0.00 H new ATOM 0 HH11 ARG A 46 15.703 -13.646 -11.263 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.979 -15.039 -12.314 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.598 -17.233 -9.674 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.479 -17.044 -11.426 1.00 0.00 H new ATOM 706 N SER A 47 14.575 -9.189 -8.534 1.00 0.00 N ATOM 707 CA SER A 47 13.361 -9.164 -7.686 1.00 0.00 C ATOM 708 C SER A 47 12.488 -8.004 -8.143 1.00 0.00 C ATOM 709 O SER A 47 12.050 -7.948 -9.275 1.00 0.00 O ATOM 710 CB SER A 47 13.744 -9.001 -6.209 1.00 0.00 C ATOM 711 OG SER A 47 14.206 -7.680 -5.976 1.00 0.00 O ATOM 0 H SER A 47 14.721 -8.358 -9.107 1.00 0.00 H new ATOM 0 HA SER A 47 12.815 -10.102 -7.785 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.883 -9.212 -5.575 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.519 -9.720 -5.943 1.00 0.00 H new ATOM 0 HG SER A 47 15.060 -7.546 -6.438 1.00 0.00 H new ATOM 717 N LYS A 48 12.246 -7.076 -7.283 1.00 0.00 N ATOM 718 CA LYS A 48 11.419 -5.905 -7.651 1.00 0.00 C ATOM 719 C LYS A 48 11.723 -4.798 -6.664 1.00 0.00 C ATOM 720 O LYS A 48 12.589 -3.972 -6.874 1.00 0.00 O ATOM 721 CB LYS A 48 9.933 -6.257 -7.550 1.00 0.00 C ATOM 722 CG LYS A 48 9.524 -7.203 -8.685 1.00 0.00 C ATOM 723 CD LYS A 48 7.988 -7.204 -8.830 1.00 0.00 C ATOM 724 CE LYS A 48 7.545 -6.091 -9.787 1.00 0.00 C ATOM 725 NZ LYS A 48 6.102 -5.793 -9.568 1.00 0.00 N ATOM 0 H LYS A 48 12.590 -7.074 -6.323 1.00 0.00 H new ATOM 0 HA LYS A 48 11.642 -5.598 -8.673 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.729 -6.726 -6.587 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.334 -5.347 -7.594 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.987 -6.887 -9.620 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.880 -8.212 -8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.652 -8.171 -9.205 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.523 -7.061 -7.854 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.142 -5.194 -9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.711 -6.397 -10.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.801 -5.038 -10.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.540 -6.649 -9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.957 -5.484 -8.586 1.00 0.00 H new ATOM 739 N GLN A 49 11.011 -4.800 -5.571 1.00 0.00 N ATOM 740 CA GLN A 49 11.212 -3.777 -4.513 1.00 0.00 C ATOM 741 C GLN A 49 11.261 -4.497 -3.155 1.00 0.00 C ATOM 742 O GLN A 49 10.595 -5.497 -2.952 1.00 0.00 O ATOM 743 CB GLN A 49 10.039 -2.778 -4.555 1.00 0.00 C ATOM 744 CG GLN A 49 9.490 -2.676 -5.983 1.00 0.00 C ATOM 745 CD GLN A 49 8.610 -1.431 -6.110 1.00 0.00 C ATOM 746 OE1 GLN A 49 7.513 -1.498 -6.627 1.00 0.00 O ATOM 747 NE2 GLN A 49 9.048 -0.289 -5.654 1.00 0.00 N ATOM 0 H GLN A 49 10.283 -5.484 -5.365 1.00 0.00 H new ATOM 0 HA GLN A 49 12.142 -3.230 -4.667 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.250 -3.101 -3.875 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.372 -1.798 -4.214 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.313 -2.626 -6.696 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.912 -3.568 -6.225 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.969 -0.233 -5.220 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.469 0.547 -5.732 1.00 0.00 H new ATOM 756 N VAL A 50 12.050 -4.010 -2.230 1.00 0.00 N ATOM 757 CA VAL A 50 12.151 -4.673 -0.889 1.00 0.00 C ATOM 758 C VAL A 50 12.106 -3.613 0.205 1.00 0.00 C ATOM 759 O VAL A 50 12.865 -2.671 0.190 1.00 0.00 O ATOM 760 CB VAL A 50 13.474 -5.442 -0.798 1.00 0.00 C ATOM 761 CG1 VAL A 50 13.437 -6.377 0.413 1.00 0.00 C ATOM 762 CG2 VAL A 50 13.681 -6.258 -2.083 1.00 0.00 C ATOM 0 H VAL A 50 12.631 -3.179 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 50 11.318 -5.365 -0.762 1.00 0.00 H new ATOM 0 HB VAL A 50 14.299 -4.739 -0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.377 -6.924 0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.294 -5.791 1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.613 -7.082 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.622 -6.805 -2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.858 -6.963 -2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.710 -5.586 -2.940 1.00 0.00 H new ATOM 772 N CYS A 51 11.224 -3.764 1.154 1.00 0.00 N ATOM 773 CA CYS A 51 11.119 -2.761 2.248 1.00 0.00 C ATOM 774 C CYS A 51 12.325 -2.890 3.179 1.00 0.00 C ATOM 775 O CYS A 51 12.900 -3.950 3.326 1.00 0.00 O ATOM 776 CB CYS A 51 9.833 -3.013 3.035 1.00 0.00 C ATOM 777 SG CYS A 51 8.407 -2.820 1.935 1.00 0.00 S ATOM 0 H CYS A 51 10.569 -4.543 1.218 1.00 0.00 H new ATOM 0 HA CYS A 51 11.099 -1.756 1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 51 9.845 -4.016 3.461 1.00 0.00 H new ATOM 0 HB3 CYS A 51 9.761 -2.314 3.868 1.00 0.00 H new ATOM 782 N ALA A 52 12.717 -1.809 3.801 1.00 0.00 N ATOM 783 CA ALA A 52 13.897 -1.847 4.718 1.00 0.00 C ATOM 784 C ALA A 52 13.648 -0.915 5.906 1.00 0.00 C ATOM 785 O ALA A 52 13.201 0.206 5.747 1.00 0.00 O ATOM 786 CB ALA A 52 15.138 -1.372 3.960 1.00 0.00 C ATOM 0 H ALA A 52 12.269 -0.897 3.713 1.00 0.00 H new ATOM 0 HA ALA A 52 14.049 -2.865 5.076 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.002 -1.398 4.624 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.316 -2.027 3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.981 -0.352 3.608 1.00 0.00 H new ATOM 792 N ASP A 53 13.935 -1.370 7.096 1.00 0.00 N ATOM 793 CA ASP A 53 13.718 -0.516 8.298 1.00 0.00 C ATOM 794 C ASP A 53 14.734 0.652 8.291 1.00 0.00 C ATOM 795 O ASP A 53 15.921 0.397 8.361 1.00 0.00 O ATOM 796 CB ASP A 53 13.950 -1.363 9.552 1.00 0.00 C ATOM 797 CG ASP A 53 13.434 -0.610 10.780 1.00 0.00 C ATOM 798 OD1 ASP A 53 13.495 0.609 10.771 1.00 0.00 O ATOM 799 OD2 ASP A 53 12.986 -1.264 11.706 1.00 0.00 O ATOM 0 H ASP A 53 14.311 -2.299 7.287 1.00 0.00 H new ATOM 0 HA ASP A 53 12.703 -0.120 8.289 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.437 -2.320 9.457 1.00 0.00 H new ATOM 0 HB3 ASP A 53 15.012 -1.580 9.665 1.00 0.00 H new ATOM 804 N PRO A 54 14.284 1.901 8.211 1.00 0.00 N ATOM 805 CA PRO A 54 15.226 3.041 8.206 1.00 0.00 C ATOM 806 C PRO A 54 16.042 3.054 9.508 1.00 0.00 C ATOM 807 O PRO A 54 16.947 3.846 9.678 1.00 0.00 O ATOM 808 CB PRO A 54 14.336 4.300 8.100 1.00 0.00 C ATOM 809 CG PRO A 54 12.857 3.826 8.021 1.00 0.00 C ATOM 810 CD PRO A 54 12.854 2.285 8.121 1.00 0.00 C ATOM 0 HA PRO A 54 15.941 2.986 7.385 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.485 4.948 8.964 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.599 4.882 7.217 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.271 4.263 8.830 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.401 4.150 7.086 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.299 1.948 8.997 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.379 1.834 7.250 1.00 0.00 H new ATOM 818 N SER A 55 15.714 2.196 10.430 1.00 0.00 N ATOM 819 CA SER A 55 16.452 2.170 11.726 1.00 0.00 C ATOM 820 C SER A 55 17.812 1.492 11.544 1.00 0.00 C ATOM 821 O SER A 55 18.715 1.680 12.333 1.00 0.00 O ATOM 822 CB SER A 55 15.633 1.396 12.759 1.00 0.00 C ATOM 823 OG SER A 55 14.286 1.849 12.727 1.00 0.00 O ATOM 0 H SER A 55 14.965 1.509 10.344 1.00 0.00 H new ATOM 0 HA SER A 55 16.608 3.193 12.069 1.00 0.00 H new ATOM 0 HB2 SER A 55 15.674 0.328 12.546 1.00 0.00 H new ATOM 0 HB3 SER A 55 16.053 1.539 13.754 1.00 0.00 H new ATOM 0 HG SER A 55 13.770 1.297 12.103 1.00 0.00 H new ATOM 829 N GLU A 56 17.973 0.709 10.512 1.00 0.00 N ATOM 830 CA GLU A 56 19.285 0.033 10.295 1.00 0.00 C ATOM 831 C GLU A 56 20.251 1.020 9.631 1.00 0.00 C ATOM 832 O GLU A 56 20.015 1.512 8.546 1.00 0.00 O ATOM 833 CB GLU A 56 19.090 -1.195 9.403 1.00 0.00 C ATOM 834 CG GLU A 56 18.555 -2.363 10.236 1.00 0.00 C ATOM 835 CD GLU A 56 19.667 -2.901 11.137 1.00 0.00 C ATOM 836 OE1 GLU A 56 20.790 -2.996 10.668 1.00 0.00 O ATOM 837 OE2 GLU A 56 19.378 -3.211 12.282 1.00 0.00 O ATOM 0 H GLU A 56 17.258 0.509 9.813 1.00 0.00 H new ATOM 0 HA GLU A 56 19.698 -0.290 11.250 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.394 -0.963 8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.036 -1.472 8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.710 -2.035 10.841 1.00 0.00 H new ATOM 0 HG3 GLU A 56 18.190 -3.153 9.580 1.00 0.00 H new ATOM 844 N SER A 57 21.328 1.318 10.298 1.00 0.00 N ATOM 845 CA SER A 57 22.325 2.284 9.757 1.00 0.00 C ATOM 846 C SER A 57 22.701 1.954 8.309 1.00 0.00 C ATOM 847 O SER A 57 22.878 2.841 7.497 1.00 0.00 O ATOM 848 CB SER A 57 23.584 2.244 10.622 1.00 0.00 C ATOM 849 OG SER A 57 24.647 2.890 9.936 1.00 0.00 O ATOM 0 H SER A 57 21.565 0.928 11.210 1.00 0.00 H new ATOM 0 HA SER A 57 21.878 3.278 9.775 1.00 0.00 H new ATOM 0 HB2 SER A 57 23.399 2.737 11.576 1.00 0.00 H new ATOM 0 HB3 SER A 57 23.854 1.211 10.844 1.00 0.00 H new ATOM 0 HG SER A 57 25.455 2.867 10.490 1.00 0.00 H new ATOM 855 N TRP A 58 22.852 0.703 7.971 1.00 0.00 N ATOM 856 CA TRP A 58 23.246 0.376 6.571 1.00 0.00 C ATOM 857 C TRP A 58 22.179 0.881 5.605 1.00 0.00 C ATOM 858 O TRP A 58 22.469 1.249 4.486 1.00 0.00 O ATOM 859 CB TRP A 58 23.482 -1.133 6.409 1.00 0.00 C ATOM 860 CG TRP A 58 22.196 -1.894 6.310 1.00 0.00 C ATOM 861 CD1 TRP A 58 21.672 -2.653 7.300 1.00 0.00 C ATOM 862 CD2 TRP A 58 21.288 -2.020 5.174 1.00 0.00 C ATOM 863 NE1 TRP A 58 20.504 -3.238 6.848 1.00 0.00 N ATOM 864 CE2 TRP A 58 20.216 -2.876 5.551 1.00 0.00 C ATOM 865 CE3 TRP A 58 21.283 -1.482 3.866 1.00 0.00 C ATOM 866 CZ2 TRP A 58 19.178 -3.186 4.663 1.00 0.00 C ATOM 867 CZ3 TRP A 58 20.238 -1.792 2.969 1.00 0.00 C ATOM 868 CH2 TRP A 58 19.187 -2.643 3.369 1.00 0.00 C ATOM 0 H TRP A 58 22.722 -0.096 8.592 1.00 0.00 H new ATOM 0 HA TRP A 58 24.186 0.877 6.339 1.00 0.00 H new ATOM 0 HB2 TRP A 58 24.079 -1.313 5.515 1.00 0.00 H new ATOM 0 HB3 TRP A 58 24.058 -1.503 7.257 1.00 0.00 H new ATOM 0 HD1 TRP A 58 22.098 -2.781 8.284 1.00 0.00 H new ATOM 0 HE1 TRP A 58 19.925 -3.863 7.408 1.00 0.00 H new ATOM 0 HE3 TRP A 58 22.084 -0.830 3.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 18.375 -3.839 4.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 20.243 -1.376 1.972 1.00 0.00 H new ATOM 0 HH2 TRP A 58 18.389 -2.877 2.680 1.00 0.00 H new ATOM 879 N VAL A 59 20.953 0.934 6.029 1.00 0.00 N ATOM 880 CA VAL A 59 19.889 1.442 5.124 1.00 0.00 C ATOM 881 C VAL A 59 20.137 2.922 4.865 1.00 0.00 C ATOM 882 O VAL A 59 20.098 3.383 3.742 1.00 0.00 O ATOM 883 CB VAL A 59 18.528 1.247 5.785 1.00 0.00 C ATOM 884 CG1 VAL A 59 17.427 1.828 4.893 1.00 0.00 C ATOM 885 CG2 VAL A 59 18.298 -0.249 5.988 1.00 0.00 C ATOM 0 H VAL A 59 20.641 0.650 6.957 1.00 0.00 H new ATOM 0 HA VAL A 59 19.904 0.898 4.180 1.00 0.00 H new ATOM 0 HB VAL A 59 18.503 1.761 6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 59 16.458 1.685 5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.604 2.893 4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.434 1.320 3.929 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.328 -0.407 6.460 1.00 0.00 H new ATOM 0 HG22 VAL A 59 18.318 -0.755 5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 59 19.083 -0.654 6.626 1.00 0.00 H new ATOM 895 N GLN A 60 20.412 3.669 5.893 1.00 0.00 N ATOM 896 CA GLN A 60 20.683 5.119 5.697 1.00 0.00 C ATOM 897 C GLN A 60 21.957 5.282 4.862 1.00 0.00 C ATOM 898 O GLN A 60 22.063 6.166 4.035 1.00 0.00 O ATOM 899 CB GLN A 60 20.870 5.796 7.056 1.00 0.00 C ATOM 900 CG GLN A 60 19.629 5.559 7.919 1.00 0.00 C ATOM 901 CD GLN A 60 19.867 6.115 9.324 1.00 0.00 C ATOM 902 OE1 GLN A 60 19.959 5.368 10.278 1.00 0.00 O ATOM 903 NE2 GLN A 60 19.974 7.405 9.491 1.00 0.00 N ATOM 0 H GLN A 60 20.461 3.342 6.858 1.00 0.00 H new ATOM 0 HA GLN A 60 19.843 5.582 5.180 1.00 0.00 H new ATOM 0 HB2 GLN A 60 21.754 5.398 7.554 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.034 6.865 6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.762 6.042 7.468 1.00 0.00 H new ATOM 0 HG3 GLN A 60 19.408 4.493 7.971 1.00 0.00 H new ATOM 0 HE21 GLN A 60 19.897 8.031 8.690 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.135 7.787 10.423 1.00 0.00 H new ATOM 912 N GLU A 61 22.924 4.432 5.076 1.00 0.00 N ATOM 913 CA GLU A 61 24.197 4.526 4.304 1.00 0.00 C ATOM 914 C GLU A 61 23.937 4.229 2.825 1.00 0.00 C ATOM 915 O GLU A 61 24.357 4.963 1.951 1.00 0.00 O ATOM 916 CB GLU A 61 25.202 3.513 4.857 1.00 0.00 C ATOM 917 CG GLU A 61 26.578 3.767 4.238 1.00 0.00 C ATOM 918 CD GLU A 61 27.615 2.868 4.912 1.00 0.00 C ATOM 919 OE1 GLU A 61 28.069 3.224 5.987 1.00 0.00 O ATOM 920 OE2 GLU A 61 27.939 1.839 4.341 1.00 0.00 O ATOM 0 H GLU A 61 22.887 3.672 5.756 1.00 0.00 H new ATOM 0 HA GLU A 61 24.599 5.535 4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 61 25.259 3.597 5.942 1.00 0.00 H new ATOM 0 HB3 GLU A 61 24.872 2.499 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 61 26.549 3.567 3.167 1.00 0.00 H new ATOM 0 HG3 GLU A 61 26.855 4.814 4.359 1.00 0.00 H new ATOM 927 N TYR A 62 23.254 3.157 2.537 1.00 0.00 N ATOM 928 CA TYR A 62 22.973 2.808 1.114 1.00 0.00 C ATOM 929 C TYR A 62 22.135 3.917 0.470 1.00 0.00 C ATOM 930 O TYR A 62 22.307 4.241 -0.689 1.00 0.00 O ATOM 931 CB TYR A 62 22.210 1.474 1.045 1.00 0.00 C ATOM 932 CG TYR A 62 23.170 0.299 1.140 1.00 0.00 C ATOM 933 CD1 TYR A 62 24.118 0.227 2.185 1.00 0.00 C ATOM 934 CD2 TYR A 62 23.110 -0.732 0.180 1.00 0.00 C ATOM 935 CE1 TYR A 62 24.997 -0.871 2.264 1.00 0.00 C ATOM 936 CE2 TYR A 62 23.991 -1.827 0.261 1.00 0.00 C ATOM 937 CZ TYR A 62 24.933 -1.897 1.303 1.00 0.00 C ATOM 938 OH TYR A 62 25.795 -2.971 1.382 1.00 0.00 O ATOM 0 H TYR A 62 22.877 2.506 3.225 1.00 0.00 H new ATOM 0 HA TYR A 62 23.915 2.708 0.575 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.484 1.423 1.856 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.650 1.418 0.112 1.00 0.00 H new ATOM 0 HD1 TYR A 62 24.169 1.014 2.923 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.386 -0.681 -0.620 1.00 0.00 H new ATOM 0 HE1 TYR A 62 25.721 -0.925 3.063 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.943 -2.614 -0.477 1.00 0.00 H new ATOM 0 HH TYR A 62 25.617 -3.589 0.642 1.00 0.00 H new ATOM 948 N VAL A 63 21.238 4.511 1.208 1.00 0.00 N ATOM 949 CA VAL A 63 20.411 5.600 0.629 1.00 0.00 C ATOM 950 C VAL A 63 21.331 6.767 0.302 1.00 0.00 C ATOM 951 O VAL A 63 21.192 7.424 -0.708 1.00 0.00 O ATOM 952 CB VAL A 63 19.357 6.039 1.648 1.00 0.00 C ATOM 953 CG1 VAL A 63 18.669 7.319 1.166 1.00 0.00 C ATOM 954 CG2 VAL A 63 18.312 4.930 1.806 1.00 0.00 C ATOM 0 H VAL A 63 21.044 4.288 2.184 1.00 0.00 H new ATOM 0 HA VAL A 63 19.904 5.256 -0.273 1.00 0.00 H new ATOM 0 HB VAL A 63 19.840 6.230 2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 63 17.920 7.626 1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.410 8.110 1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 63 18.186 7.133 0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 63 17.560 5.240 2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 63 17.834 4.741 0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.798 4.019 2.154 1.00 0.00 H new ATOM 964 N TYR A 64 22.278 7.019 1.156 1.00 0.00 N ATOM 965 CA TYR A 64 23.221 8.135 0.911 1.00 0.00 C ATOM 966 C TYR A 64 24.016 7.843 -0.358 1.00 0.00 C ATOM 967 O TYR A 64 24.226 8.702 -1.190 1.00 0.00 O ATOM 968 CB TYR A 64 24.177 8.257 2.102 1.00 0.00 C ATOM 969 CG TYR A 64 24.828 9.622 2.099 1.00 0.00 C ATOM 970 CD1 TYR A 64 24.090 10.755 2.493 1.00 0.00 C ATOM 971 CD2 TYR A 64 26.173 9.761 1.705 1.00 0.00 C ATOM 972 CE1 TYR A 64 24.695 12.026 2.492 1.00 0.00 C ATOM 973 CE2 TYR A 64 26.778 11.033 1.703 1.00 0.00 C ATOM 974 CZ TYR A 64 26.039 12.165 2.097 1.00 0.00 C ATOM 975 OH TYR A 64 26.633 13.411 2.095 1.00 0.00 O ATOM 0 H TYR A 64 22.439 6.496 2.017 1.00 0.00 H new ATOM 0 HA TYR A 64 22.672 9.069 0.791 1.00 0.00 H new ATOM 0 HB2 TYR A 64 23.632 8.106 3.034 1.00 0.00 H new ATOM 0 HB3 TYR A 64 24.940 7.480 2.049 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.059 10.649 2.796 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.740 8.893 1.404 1.00 0.00 H new ATOM 0 HE1 TYR A 64 24.128 12.894 2.794 1.00 0.00 H new ATOM 0 HE2 TYR A 64 27.809 11.140 1.399 1.00 0.00 H new ATOM 0 HH TYR A 64 27.563 13.330 1.797 1.00 0.00 H new ATOM 985 N ASP A 65 24.458 6.628 -0.505 1.00 0.00 N ATOM 986 CA ASP A 65 25.245 6.253 -1.712 1.00 0.00 C ATOM 987 C ASP A 65 24.385 6.446 -2.965 1.00 0.00 C ATOM 988 O ASP A 65 24.872 6.822 -4.014 1.00 0.00 O ATOM 989 CB ASP A 65 25.668 4.785 -1.598 1.00 0.00 C ATOM 990 CG ASP A 65 26.872 4.664 -0.661 1.00 0.00 C ATOM 991 OD1 ASP A 65 27.985 4.824 -1.134 1.00 0.00 O ATOM 992 OD2 ASP A 65 26.659 4.413 0.514 1.00 0.00 O ATOM 0 H ASP A 65 24.307 5.872 0.163 1.00 0.00 H new ATOM 0 HA ASP A 65 26.130 6.884 -1.785 1.00 0.00 H new ATOM 0 HB2 ASP A 65 24.839 4.187 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 65 25.921 4.392 -2.583 1.00 0.00 H new ATOM 997 N LEU A 66 23.114 6.190 -2.861 1.00 0.00 N ATOM 998 CA LEU A 66 22.217 6.354 -4.038 1.00 0.00 C ATOM 999 C LEU A 66 22.022 7.845 -4.327 1.00 0.00 C ATOM 1000 O LEU A 66 21.816 8.248 -5.454 1.00 0.00 O ATOM 1001 CB LEU A 66 20.864 5.699 -3.721 1.00 0.00 C ATOM 1002 CG LEU A 66 20.947 4.173 -3.932 1.00 0.00 C ATOM 1003 CD1 LEU A 66 19.840 3.480 -3.135 1.00 0.00 C ATOM 1004 CD2 LEU A 66 20.766 3.827 -5.420 1.00 0.00 C ATOM 0 H LEU A 66 22.654 5.873 -2.008 1.00 0.00 H new ATOM 0 HA LEU A 66 22.657 5.879 -4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 66 20.579 5.916 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 66 20.089 6.120 -4.361 1.00 0.00 H new ATOM 0 HG LEU A 66 21.926 3.833 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 66 19.902 2.402 -3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 66 19.960 3.705 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.868 3.839 -3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 66 20.827 2.747 -5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.792 4.180 -5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 66 21.550 4.309 -6.004 1.00 0.00 H new ATOM 1016 N GLU A 67 22.093 8.664 -3.318 1.00 0.00 N ATOM 1017 CA GLU A 67 21.920 10.129 -3.531 1.00 0.00 C ATOM 1018 C GLU A 67 23.161 10.687 -4.226 1.00 0.00 C ATOM 1019 O GLU A 67 23.093 11.646 -4.969 1.00 0.00 O ATOM 1020 CB GLU A 67 21.746 10.821 -2.178 1.00 0.00 C ATOM 1021 CG GLU A 67 20.422 10.388 -1.541 1.00 0.00 C ATOM 1022 CD GLU A 67 19.264 11.170 -2.168 1.00 0.00 C ATOM 1023 OE1 GLU A 67 19.331 12.388 -2.171 1.00 0.00 O ATOM 1024 OE2 GLU A 67 18.331 10.536 -2.633 1.00 0.00 O ATOM 0 H GLU A 67 22.264 8.383 -2.352 1.00 0.00 H new ATOM 0 HA GLU A 67 21.040 10.308 -4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 67 22.577 10.567 -1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 67 21.761 11.903 -2.308 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.271 9.318 -1.686 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.451 10.563 -0.466 1.00 0.00 H new ATOM 1116 N SER B 5 10.926 -9.931 -3.811 1.00 0.00 N ATOM 1117 CA SER B 5 11.475 -10.174 -2.443 1.00 0.00 C ATOM 1118 C SER B 5 10.448 -9.745 -1.380 1.00 0.00 C ATOM 1119 O SER B 5 9.829 -10.573 -0.740 1.00 0.00 O ATOM 1120 CB SER B 5 12.793 -9.399 -2.283 1.00 0.00 C ATOM 1121 OG SER B 5 13.857 -10.325 -2.108 1.00 0.00 O ATOM 0 HA SER B 5 11.674 -11.237 -2.307 1.00 0.00 H new ATOM 0 HB2 SER B 5 12.974 -8.779 -3.161 1.00 0.00 H new ATOM 0 HB3 SER B 5 12.733 -8.728 -1.426 1.00 0.00 H new ATOM 0 HG SER B 5 14.701 -9.838 -2.007 1.00 0.00 H new ATOM 1127 N ASP B 6 10.263 -8.465 -1.179 1.00 0.00 N ATOM 1128 CA ASP B 6 9.277 -8.005 -0.148 1.00 0.00 C ATOM 1129 C ASP B 6 8.802 -6.581 -0.473 1.00 0.00 C ATOM 1130 O ASP B 6 9.148 -5.651 0.226 1.00 0.00 O ATOM 1131 CB ASP B 6 9.937 -8.004 1.238 1.00 0.00 C ATOM 1132 CG ASP B 6 10.730 -9.297 1.435 1.00 0.00 C ATOM 1133 OD1 ASP B 6 11.862 -9.348 0.983 1.00 0.00 O ATOM 1134 OD2 ASP B 6 10.192 -10.213 2.034 1.00 0.00 O ATOM 0 H ASP B 6 10.748 -7.720 -1.680 1.00 0.00 H new ATOM 0 HA ASP B 6 8.425 -8.685 -0.152 1.00 0.00 H new ATOM 0 HB2 ASP B 6 10.598 -7.143 1.336 1.00 0.00 H new ATOM 0 HB3 ASP B 6 9.176 -7.911 2.013 1.00 0.00 H new ATOM 1139 N PRO B 7 8.022 -6.443 -1.524 1.00 0.00 N ATOM 1140 CA PRO B 7 7.508 -5.121 -1.932 1.00 0.00 C ATOM 1141 C PRO B 7 6.544 -4.577 -0.850 1.00 0.00 C ATOM 1142 O PRO B 7 6.169 -5.305 0.047 1.00 0.00 O ATOM 1143 CB PRO B 7 6.772 -5.381 -3.270 1.00 0.00 C ATOM 1144 CG PRO B 7 6.852 -6.910 -3.562 1.00 0.00 C ATOM 1145 CD PRO B 7 7.604 -7.569 -2.385 1.00 0.00 C ATOM 0 HA PRO B 7 8.294 -4.375 -2.049 1.00 0.00 H new ATOM 0 HB2 PRO B 7 5.733 -5.057 -3.205 1.00 0.00 H new ATOM 0 HB3 PRO B 7 7.233 -4.812 -4.078 1.00 0.00 H new ATOM 0 HG2 PRO B 7 5.853 -7.334 -3.664 1.00 0.00 H new ATOM 0 HG3 PRO B 7 7.373 -7.094 -4.501 1.00 0.00 H new ATOM 0 HD2 PRO B 7 6.961 -8.263 -1.844 1.00 0.00 H new ATOM 0 HD3 PRO B 7 8.464 -8.139 -2.735 1.00 0.00 H new ATOM 1153 N PRO B 8 6.167 -3.316 -0.965 1.00 0.00 N ATOM 1154 CA PRO B 8 5.244 -2.689 0.008 1.00 0.00 C ATOM 1155 C PRO B 8 3.876 -3.394 -0.031 1.00 0.00 C ATOM 1156 O PRO B 8 3.760 -4.520 -0.472 1.00 0.00 O ATOM 1157 CB PRO B 8 5.128 -1.214 -0.450 1.00 0.00 C ATOM 1158 CG PRO B 8 5.889 -1.084 -1.801 1.00 0.00 C ATOM 1159 CD PRO B 8 6.623 -2.421 -2.052 1.00 0.00 C ATOM 0 HA PRO B 8 5.601 -2.763 1.035 1.00 0.00 H new ATOM 0 HB2 PRO B 8 4.082 -0.931 -0.570 1.00 0.00 H new ATOM 0 HB3 PRO B 8 5.556 -0.546 0.297 1.00 0.00 H new ATOM 0 HG2 PRO B 8 5.194 -0.870 -2.613 1.00 0.00 H new ATOM 0 HG3 PRO B 8 6.599 -0.258 -1.763 1.00 0.00 H new ATOM 0 HD2 PRO B 8 6.374 -2.830 -3.031 1.00 0.00 H new ATOM 0 HD3 PRO B 8 7.705 -2.289 -2.027 1.00 0.00 H new ATOM 1167 N THR B 9 2.844 -2.733 0.428 1.00 0.00 N ATOM 1168 CA THR B 9 1.488 -3.358 0.419 1.00 0.00 C ATOM 1169 C THR B 9 0.416 -2.267 0.429 1.00 0.00 C ATOM 1170 O THR B 9 0.431 -1.369 1.246 1.00 0.00 O ATOM 1171 CB THR B 9 1.327 -4.237 1.660 1.00 0.00 C ATOM 1172 OG1 THR B 9 2.498 -5.021 1.835 1.00 0.00 O ATOM 1173 CG2 THR B 9 0.115 -5.156 1.488 1.00 0.00 C ATOM 0 H THR B 9 2.882 -1.787 0.809 1.00 0.00 H new ATOM 0 HA THR B 9 1.377 -3.965 -0.479 1.00 0.00 H new ATOM 0 HB THR B 9 1.176 -3.605 2.535 1.00 0.00 H new ATOM 0 HG1 THR B 9 2.469 -5.462 2.710 1.00 0.00 H new ATOM 0 HG21 THR B 9 0.003 -5.781 2.374 1.00 0.00 H new ATOM 0 HG22 THR B 9 -0.783 -4.553 1.354 1.00 0.00 H new ATOM 0 HG23 THR B 9 0.260 -5.790 0.613 1.00 0.00 H new ATOM 1181 N ALA B 10 -0.517 -2.346 -0.479 1.00 0.00 N ATOM 1182 CA ALA B 10 -1.600 -1.326 -0.537 1.00 0.00 C ATOM 1183 C ALA B 10 -2.531 -1.484 0.666 1.00 0.00 C ATOM 1184 O ALA B 10 -3.587 -2.077 0.566 1.00 0.00 O ATOM 1185 CB ALA B 10 -2.399 -1.520 -1.823 1.00 0.00 C ATOM 0 H ALA B 10 -0.576 -3.078 -1.187 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.159 -0.329 -0.519 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -3.194 -0.776 -1.873 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.739 -1.403 -2.683 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -2.835 -2.519 -1.833 1.00 0.00 H new ATOM 1191 N CYS B 11 -2.152 -0.949 1.799 1.00 0.00 N ATOM 1192 CA CYS B 11 -3.014 -1.050 3.021 1.00 0.00 C ATOM 1193 C CYS B 11 -3.600 0.330 3.326 1.00 0.00 C ATOM 1194 O CYS B 11 -2.927 1.336 3.222 1.00 0.00 O ATOM 1195 CB CYS B 11 -2.163 -1.517 4.205 1.00 0.00 C ATOM 1196 SG CYS B 11 -1.310 -3.054 3.768 1.00 0.00 S ATOM 0 H CYS B 11 -1.277 -0.443 1.933 1.00 0.00 H new ATOM 0 HA CYS B 11 -3.819 -1.765 2.852 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.437 -0.748 4.470 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.794 -1.675 5.080 1.00 0.00 H new ATOM 1201 N CYS B 12 -4.852 0.390 3.695 1.00 0.00 N ATOM 1202 CA CYS B 12 -5.472 1.711 4.000 1.00 0.00 C ATOM 1203 C CYS B 12 -4.921 2.237 5.326 1.00 0.00 C ATOM 1204 O CYS B 12 -4.624 1.479 6.228 1.00 0.00 O ATOM 1205 CB CYS B 12 -6.991 1.557 4.106 1.00 0.00 C ATOM 1206 SG CYS B 12 -7.677 1.170 2.477 1.00 0.00 S ATOM 0 H CYS B 12 -5.469 -0.415 3.798 1.00 0.00 H new ATOM 0 HA CYS B 12 -5.236 2.413 3.201 1.00 0.00 H new ATOM 0 HB2 CYS B 12 -7.238 0.765 4.813 1.00 0.00 H new ATOM 0 HB3 CYS B 12 -7.434 2.476 4.489 1.00 0.00 H new ATOM 1211 N PHE B 13 -4.787 3.532 5.451 1.00 0.00 N ATOM 1212 CA PHE B 13 -4.259 4.126 6.718 1.00 0.00 C ATOM 1213 C PHE B 13 -5.422 4.725 7.508 1.00 0.00 C ATOM 1214 O PHE B 13 -5.331 4.950 8.698 1.00 0.00 O ATOM 1215 CB PHE B 13 -3.268 5.237 6.381 1.00 0.00 C ATOM 1216 CG PHE B 13 -3.969 6.302 5.577 1.00 0.00 C ATOM 1217 CD1 PHE B 13 -4.215 6.099 4.206 1.00 0.00 C ATOM 1218 CD2 PHE B 13 -4.382 7.497 6.197 1.00 0.00 C ATOM 1219 CE1 PHE B 13 -4.872 7.091 3.454 1.00 0.00 C ATOM 1220 CE2 PHE B 13 -5.039 8.490 5.446 1.00 0.00 C ATOM 1221 CZ PHE B 13 -5.284 8.287 4.074 1.00 0.00 C ATOM 0 H PHE B 13 -5.022 4.209 4.725 1.00 0.00 H new ATOM 0 HA PHE B 13 -3.763 3.354 7.306 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -2.859 5.666 7.296 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -2.428 4.832 5.816 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -3.900 5.182 3.731 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -4.195 7.652 7.249 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -5.060 6.935 2.402 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -5.355 9.407 5.922 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.788 9.048 3.497 1.00 0.00 H new ATOM 1231 N SER B 14 -6.515 4.984 6.847 1.00 0.00 N ATOM 1232 CA SER B 14 -7.694 5.569 7.544 1.00 0.00 C ATOM 1233 C SER B 14 -8.955 5.234 6.749 1.00 0.00 C ATOM 1234 O SER B 14 -9.025 4.225 6.077 1.00 0.00 O ATOM 1235 CB SER B 14 -7.533 7.087 7.634 1.00 0.00 C ATOM 1236 OG SER B 14 -7.830 7.666 6.371 1.00 0.00 O ATOM 0 H SER B 14 -6.643 4.815 5.849 1.00 0.00 H new ATOM 0 HA SER B 14 -7.771 5.157 8.550 1.00 0.00 H new ATOM 0 HB2 SER B 14 -8.198 7.490 8.397 1.00 0.00 H new ATOM 0 HB3 SER B 14 -6.515 7.339 7.932 1.00 0.00 H new ATOM 0 HG SER B 14 -7.002 7.982 5.953 1.00 0.00 H new ATOM 1242 N TYR B 15 -9.957 6.068 6.818 1.00 0.00 N ATOM 1243 CA TYR B 15 -11.215 5.788 6.064 1.00 0.00 C ATOM 1244 C TYR B 15 -11.937 7.105 5.775 1.00 0.00 C ATOM 1245 O TYR B 15 -11.720 8.100 6.439 1.00 0.00 O ATOM 1246 CB TYR B 15 -12.125 4.882 6.906 1.00 0.00 C ATOM 1247 CG TYR B 15 -11.295 3.835 7.610 1.00 0.00 C ATOM 1248 CD1 TYR B 15 -10.936 2.652 6.939 1.00 0.00 C ATOM 1249 CD2 TYR B 15 -10.881 4.044 8.940 1.00 0.00 C ATOM 1250 CE1 TYR B 15 -10.161 1.677 7.597 1.00 0.00 C ATOM 1251 CE2 TYR B 15 -10.108 3.069 9.598 1.00 0.00 C ATOM 1252 CZ TYR B 15 -9.748 1.886 8.927 1.00 0.00 C ATOM 1253 OH TYR B 15 -8.990 0.930 9.571 1.00 0.00 O ATOM 0 H TYR B 15 -9.960 6.930 7.363 1.00 0.00 H new ATOM 0 HA TYR B 15 -10.974 5.290 5.125 1.00 0.00 H new ATOM 0 HB2 TYR B 15 -12.671 5.478 7.637 1.00 0.00 H new ATOM 0 HB3 TYR B 15 -12.867 4.402 6.268 1.00 0.00 H new ATOM 0 HD1 TYR B 15 -11.254 2.491 5.920 1.00 0.00 H new ATOM 0 HD2 TYR B 15 -11.157 4.952 9.455 1.00 0.00 H new ATOM 0 HE1 TYR B 15 -9.884 0.769 7.082 1.00 0.00 H new ATOM 0 HE2 TYR B 15 -9.791 3.229 10.618 1.00 0.00 H new ATOM 0 HH TYR B 15 -8.789 1.231 10.482 1.00 0.00 H new ATOM 1263 N THR B 16 -12.801 7.117 4.798 1.00 0.00 N ATOM 1264 CA THR B 16 -13.539 8.372 4.486 1.00 0.00 C ATOM 1265 C THR B 16 -14.341 8.789 5.723 1.00 0.00 C ATOM 1266 O THR B 16 -14.023 8.405 6.831 1.00 0.00 O ATOM 1267 CB THR B 16 -14.469 8.144 3.285 1.00 0.00 C ATOM 1268 OG1 THR B 16 -15.218 9.322 3.032 1.00 0.00 O ATOM 1269 CG2 THR B 16 -15.420 6.981 3.568 1.00 0.00 C ATOM 0 H THR B 16 -13.027 6.318 4.206 1.00 0.00 H new ATOM 0 HA THR B 16 -12.839 9.166 4.226 1.00 0.00 H new ATOM 0 HB THR B 16 -13.865 7.902 2.410 1.00 0.00 H new ATOM 0 HG1 THR B 16 -15.809 9.175 2.264 1.00 0.00 H new ATOM 0 HG21 THR B 16 -16.074 6.829 2.710 1.00 0.00 H new ATOM 0 HG22 THR B 16 -14.842 6.075 3.749 1.00 0.00 H new ATOM 0 HG23 THR B 16 -16.022 7.209 4.447 1.00 0.00 H new ATOM 1277 N ALA B 17 -15.371 9.575 5.557 1.00 0.00 N ATOM 1278 CA ALA B 17 -16.178 10.013 6.737 1.00 0.00 C ATOM 1279 C ALA B 17 -17.645 10.123 6.336 1.00 0.00 C ATOM 1280 O ALA B 17 -18.447 10.704 7.038 1.00 0.00 O ATOM 1281 CB ALA B 17 -15.678 11.381 7.206 1.00 0.00 C ATOM 0 H ALA B 17 -15.690 9.933 4.657 1.00 0.00 H new ATOM 0 HA ALA B 17 -16.075 9.286 7.542 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -16.262 11.707 8.067 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -14.628 11.308 7.488 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -15.787 12.105 6.398 1.00 0.00 H new ATOM 1287 N ARG B 18 -18.004 9.571 5.208 1.00 0.00 N ATOM 1288 CA ARG B 18 -19.423 9.646 4.752 1.00 0.00 C ATOM 1289 C ARG B 18 -19.802 8.353 4.031 1.00 0.00 C ATOM 1290 O ARG B 18 -19.092 7.883 3.163 1.00 0.00 O ATOM 1291 CB ARG B 18 -19.577 10.828 3.796 1.00 0.00 C ATOM 1292 CG ARG B 18 -19.082 12.102 4.483 1.00 0.00 C ATOM 1293 CD ARG B 18 -19.561 13.325 3.705 1.00 0.00 C ATOM 1294 NE ARG B 18 -19.245 13.152 2.259 1.00 0.00 N ATOM 1295 CZ ARG B 18 -19.815 13.920 1.370 1.00 0.00 C ATOM 1296 NH1 ARG B 18 -20.662 14.838 1.748 1.00 0.00 N ATOM 1297 NH2 ARG B 18 -19.537 13.770 0.103 1.00 0.00 N ATOM 0 H ARG B 18 -17.374 9.070 4.581 1.00 0.00 H new ATOM 0 HA ARG B 18 -20.078 9.780 5.613 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -19.008 10.649 2.883 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -20.621 10.941 3.504 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -19.453 12.142 5.507 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -17.993 12.098 4.538 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -20.635 13.457 3.840 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -19.079 14.224 4.088 1.00 0.00 H new ATOM 0 HE ARG B 18 -18.584 12.434 1.964 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -20.879 14.956 2.738 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -21.107 15.438 1.054 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -18.875 13.053 -0.192 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -19.982 14.370 -0.591 1.00 0.00 H new ATOM 1311 N LYS B 19 -20.922 7.780 4.375 1.00 0.00 N ATOM 1312 CA LYS B 19 -21.356 6.525 3.702 1.00 0.00 C ATOM 1313 C LYS B 19 -21.582 6.830 2.219 1.00 0.00 C ATOM 1314 O LYS B 19 -22.313 7.734 1.864 1.00 0.00 O ATOM 1315 CB LYS B 19 -22.656 6.031 4.364 1.00 0.00 C ATOM 1316 CG LYS B 19 -23.276 4.849 3.590 1.00 0.00 C ATOM 1317 CD LYS B 19 -24.724 4.627 4.047 1.00 0.00 C ATOM 1318 CE LYS B 19 -24.801 4.575 5.577 1.00 0.00 C ATOM 1319 NZ LYS B 19 -24.798 5.961 6.124 1.00 0.00 N ATOM 0 H LYS B 19 -21.556 8.128 5.094 1.00 0.00 H new ATOM 0 HA LYS B 19 -20.600 5.746 3.796 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -22.449 5.726 5.390 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -23.373 6.850 4.414 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -23.250 5.051 2.519 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -22.690 3.946 3.758 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -25.357 5.431 3.672 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -25.106 3.697 3.626 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -25.705 4.052 5.888 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -23.955 4.014 5.975 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -23.855 6.182 6.504 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -25.033 6.634 5.366 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -25.504 6.036 6.884 1.00 0.00 H new ATOM 1333 N LEU B 20 -20.964 6.080 1.349 1.00 0.00 N ATOM 1334 CA LEU B 20 -21.147 6.326 -0.108 1.00 0.00 C ATOM 1335 C LEU B 20 -22.553 5.842 -0.529 1.00 0.00 C ATOM 1336 O LEU B 20 -22.851 4.679 -0.346 1.00 0.00 O ATOM 1337 CB LEU B 20 -20.108 5.520 -0.893 1.00 0.00 C ATOM 1338 CG LEU B 20 -18.711 5.721 -0.298 1.00 0.00 C ATOM 1339 CD1 LEU B 20 -17.679 5.098 -1.240 1.00 0.00 C ATOM 1340 CD2 LEU B 20 -18.414 7.216 -0.139 1.00 0.00 C ATOM 0 H LEU B 20 -20.341 5.308 1.584 1.00 0.00 H new ATOM 0 HA LEU B 20 -21.032 7.390 -0.313 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -20.369 4.462 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -20.113 5.830 -1.938 1.00 0.00 H new ATOM 0 HG LEU B 20 -18.663 5.245 0.682 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -16.680 5.235 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -17.883 4.033 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -17.738 5.582 -2.215 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -17.418 7.346 0.285 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -18.460 7.702 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -19.152 7.665 0.525 1.00 0.00 H new ATOM 1352 N PRO B 21 -23.388 6.702 -1.093 1.00 0.00 N ATOM 1353 CA PRO B 21 -24.730 6.267 -1.523 1.00 0.00 C ATOM 1354 C PRO B 21 -24.605 5.072 -2.472 1.00 0.00 C ATOM 1355 O PRO B 21 -23.684 4.992 -3.256 1.00 0.00 O ATOM 1356 CB PRO B 21 -25.335 7.489 -2.250 1.00 0.00 C ATOM 1357 CG PRO B 21 -24.378 8.689 -2.010 1.00 0.00 C ATOM 1358 CD PRO B 21 -23.097 8.134 -1.348 1.00 0.00 C ATOM 0 HA PRO B 21 -25.356 5.948 -0.690 1.00 0.00 H new ATOM 0 HB2 PRO B 21 -25.440 7.289 -3.316 1.00 0.00 H new ATOM 0 HB3 PRO B 21 -26.331 7.709 -1.867 1.00 0.00 H new ATOM 0 HG2 PRO B 21 -24.140 9.184 -2.951 1.00 0.00 H new ATOM 0 HG3 PRO B 21 -24.850 9.434 -1.369 1.00 0.00 H new ATOM 0 HD2 PRO B 21 -22.232 8.251 -2.001 1.00 0.00 H new ATOM 0 HD3 PRO B 21 -22.871 8.662 -0.422 1.00 0.00 H new ATOM 1366 N ARG B 22 -25.529 4.155 -2.420 1.00 0.00 N ATOM 1367 CA ARG B 22 -25.459 2.990 -3.343 1.00 0.00 C ATOM 1368 C ARG B 22 -25.261 3.511 -4.768 1.00 0.00 C ATOM 1369 O ARG B 22 -24.591 2.904 -5.580 1.00 0.00 O ATOM 1370 CB ARG B 22 -26.762 2.190 -3.263 1.00 0.00 C ATOM 1371 CG ARG B 22 -26.688 0.998 -4.220 1.00 0.00 C ATOM 1372 CD ARG B 22 -27.800 0.002 -3.883 1.00 0.00 C ATOM 1373 NE ARG B 22 -27.666 -1.202 -4.749 1.00 0.00 N ATOM 1374 CZ ARG B 22 -28.304 -2.299 -4.443 1.00 0.00 C ATOM 1375 NH1 ARG B 22 -29.057 -2.340 -3.379 1.00 0.00 N ATOM 1376 NH2 ARG B 22 -28.190 -3.354 -5.203 1.00 0.00 N ATOM 0 H ARG B 22 -26.325 4.161 -1.782 1.00 0.00 H new ATOM 0 HA ARG B 22 -24.629 2.341 -3.064 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -26.925 1.842 -2.243 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -27.608 2.826 -3.522 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -26.790 1.339 -5.250 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -25.715 0.514 -4.140 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -27.741 -0.284 -2.833 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -28.775 0.465 -4.033 1.00 0.00 H new ATOM 0 HE ARG B 22 -27.076 -1.170 -5.581 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -29.147 -1.515 -2.786 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -29.556 -3.197 -3.140 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -27.602 -3.321 -6.036 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -28.689 -4.211 -4.964 1.00 0.00 H new ATOM 1390 N ASN B 23 -25.837 4.645 -5.068 1.00 0.00 N ATOM 1391 CA ASN B 23 -25.687 5.228 -6.432 1.00 0.00 C ATOM 1392 C ASN B 23 -24.269 5.780 -6.599 1.00 0.00 C ATOM 1393 O ASN B 23 -23.999 6.555 -7.495 1.00 0.00 O ATOM 1394 CB ASN B 23 -26.699 6.360 -6.616 1.00 0.00 C ATOM 1395 CG ASN B 23 -28.109 5.838 -6.330 1.00 0.00 C ATOM 1396 OD1 ASN B 23 -28.817 5.441 -7.234 1.00 0.00 O ATOM 1397 ND2 ASN B 23 -28.548 5.822 -5.101 1.00 0.00 N ATOM 0 H ASN B 23 -26.407 5.194 -4.424 1.00 0.00 H new ATOM 0 HA ASN B 23 -25.866 4.455 -7.179 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -26.463 7.186 -5.945 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -26.644 6.750 -7.632 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -29.486 5.476 -4.899 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -27.953 6.155 -4.343 1.00 0.00 H new ATOM 1404 N PHE B 24 -23.364 5.393 -5.737 1.00 0.00 N ATOM 1405 CA PHE B 24 -21.958 5.902 -5.833 1.00 0.00 C ATOM 1406 C PHE B 24 -20.990 4.754 -5.524 1.00 0.00 C ATOM 1407 O PHE B 24 -19.894 4.963 -5.045 1.00 0.00 O ATOM 1408 CB PHE B 24 -21.771 7.041 -4.814 1.00 0.00 C ATOM 1409 CG PHE B 24 -20.601 7.927 -5.202 1.00 0.00 C ATOM 1410 CD1 PHE B 24 -20.608 8.614 -6.437 1.00 0.00 C ATOM 1411 CD2 PHE B 24 -19.506 8.078 -4.324 1.00 0.00 C ATOM 1412 CE1 PHE B 24 -19.526 9.444 -6.788 1.00 0.00 C ATOM 1413 CE2 PHE B 24 -18.425 8.908 -4.680 1.00 0.00 C ATOM 1414 CZ PHE B 24 -18.436 9.590 -5.911 1.00 0.00 C ATOM 0 H PHE B 24 -23.536 4.745 -4.968 1.00 0.00 H new ATOM 0 HA PHE B 24 -21.757 6.279 -6.836 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -22.681 7.638 -4.758 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -21.602 6.623 -3.822 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -21.444 8.502 -7.112 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -19.497 7.557 -3.378 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -19.533 9.969 -7.732 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.587 9.021 -4.008 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.607 10.226 -6.183 1.00 0.00 H new ATOM 1424 N VAL B 25 -21.393 3.540 -5.805 1.00 0.00 N ATOM 1425 CA VAL B 25 -20.511 2.364 -5.539 1.00 0.00 C ATOM 1426 C VAL B 25 -20.819 1.268 -6.563 1.00 0.00 C ATOM 1427 O VAL B 25 -21.649 0.409 -6.336 1.00 0.00 O ATOM 1428 CB VAL B 25 -20.779 1.825 -4.131 1.00 0.00 C ATOM 1429 CG1 VAL B 25 -19.800 0.691 -3.824 1.00 0.00 C ATOM 1430 CG2 VAL B 25 -20.587 2.944 -3.104 1.00 0.00 C ATOM 0 H VAL B 25 -22.301 3.313 -6.210 1.00 0.00 H new ATOM 0 HA VAL B 25 -19.467 2.667 -5.618 1.00 0.00 H new ATOM 0 HB VAL B 25 -21.802 1.454 -4.079 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -19.991 0.307 -2.822 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -19.932 -0.111 -4.551 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -18.778 1.067 -3.880 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -20.779 2.556 -2.103 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -19.564 3.317 -3.159 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -21.281 3.757 -3.317 1.00 0.00 H new ATOM 1440 N VAL B 26 -20.162 1.293 -7.692 1.00 0.00 N ATOM 1441 CA VAL B 26 -20.420 0.260 -8.734 1.00 0.00 C ATOM 1442 C VAL B 26 -19.611 -0.997 -8.429 1.00 0.00 C ATOM 1443 O VAL B 26 -19.827 -2.040 -9.013 1.00 0.00 O ATOM 1444 CB VAL B 26 -20.002 0.810 -10.096 1.00 0.00 C ATOM 1445 CG1 VAL B 26 -20.728 2.127 -10.357 1.00 0.00 C ATOM 1446 CG2 VAL B 26 -18.489 1.051 -10.107 1.00 0.00 C ATOM 0 H VAL B 26 -19.456 1.987 -7.937 1.00 0.00 H new ATOM 0 HA VAL B 26 -21.481 0.011 -8.742 1.00 0.00 H new ATOM 0 HB VAL B 26 -20.261 0.091 -10.873 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -20.430 2.520 -11.329 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -21.805 1.957 -10.349 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -20.468 2.846 -9.580 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -18.190 1.444 -11.079 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -18.229 1.770 -9.330 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -17.970 0.111 -9.920 1.00 0.00 H new ATOM 1456 N ASP B 27 -18.679 -0.912 -7.524 1.00 0.00 N ATOM 1457 CA ASP B 27 -17.861 -2.111 -7.199 1.00 0.00 C ATOM 1458 C ASP B 27 -17.022 -1.832 -5.960 1.00 0.00 C ATOM 1459 O ASP B 27 -17.178 -0.819 -5.307 1.00 0.00 O ATOM 1460 CB ASP B 27 -16.937 -2.425 -8.379 1.00 0.00 C ATOM 1461 CG ASP B 27 -16.335 -3.821 -8.201 1.00 0.00 C ATOM 1462 OD1 ASP B 27 -17.005 -4.664 -7.626 1.00 0.00 O ATOM 1463 OD2 ASP B 27 -15.216 -4.023 -8.641 1.00 0.00 O ATOM 0 H ASP B 27 -18.449 -0.069 -6.998 1.00 0.00 H new ATOM 0 HA ASP B 27 -18.516 -2.961 -7.009 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -17.495 -2.375 -9.314 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -16.143 -1.681 -8.441 1.00 0.00 H new ATOM 1468 N TYR B 28 -16.123 -2.717 -5.629 1.00 0.00 N ATOM 1469 CA TYR B 28 -15.271 -2.491 -4.432 1.00 0.00 C ATOM 1470 C TYR B 28 -13.965 -3.267 -4.567 1.00 0.00 C ATOM 1471 O TYR B 28 -13.686 -3.879 -5.579 1.00 0.00 O ATOM 1472 CB TYR B 28 -16.014 -2.925 -3.163 1.00 0.00 C ATOM 1473 CG TYR B 28 -16.095 -4.438 -3.079 1.00 0.00 C ATOM 1474 CD1 TYR B 28 -16.816 -5.164 -4.048 1.00 0.00 C ATOM 1475 CD2 TYR B 28 -15.461 -5.119 -2.020 1.00 0.00 C ATOM 1476 CE1 TYR B 28 -16.899 -6.567 -3.960 1.00 0.00 C ATOM 1477 CE2 TYR B 28 -15.545 -6.519 -1.928 1.00 0.00 C ATOM 1478 CZ TYR B 28 -16.264 -7.245 -2.899 1.00 0.00 C ATOM 1479 OH TYR B 28 -16.348 -8.620 -2.811 1.00 0.00 O ATOM 0 H TYR B 28 -15.943 -3.584 -6.135 1.00 0.00 H new ATOM 0 HA TYR B 28 -15.044 -1.427 -4.358 1.00 0.00 H new ATOM 0 HB2 TYR B 28 -15.501 -2.534 -2.284 1.00 0.00 H new ATOM 0 HB3 TYR B 28 -17.018 -2.502 -3.161 1.00 0.00 H new ATOM 0 HD1 TYR B 28 -17.305 -4.644 -4.858 1.00 0.00 H new ATOM 0 HD2 TYR B 28 -14.909 -4.563 -1.277 1.00 0.00 H new ATOM 0 HE1 TYR B 28 -17.449 -7.123 -4.705 1.00 0.00 H new ATOM 0 HE2 TYR B 28 -15.059 -7.038 -1.115 1.00 0.00 H new ATOM 0 HH TYR B 28 -17.286 -8.884 -2.705 1.00 0.00 H new ATOM 1489 N TYR B 29 -13.160 -3.222 -3.552 1.00 0.00 N ATOM 1490 CA TYR B 29 -11.854 -3.923 -3.588 1.00 0.00 C ATOM 1491 C TYR B 29 -11.362 -4.092 -2.145 1.00 0.00 C ATOM 1492 O TYR B 29 -11.451 -3.182 -1.351 1.00 0.00 O ATOM 1493 CB TYR B 29 -10.877 -3.067 -4.411 1.00 0.00 C ATOM 1494 CG TYR B 29 -9.448 -3.466 -4.129 1.00 0.00 C ATOM 1495 CD1 TYR B 29 -8.979 -4.726 -4.538 1.00 0.00 C ATOM 1496 CD2 TYR B 29 -8.585 -2.574 -3.460 1.00 0.00 C ATOM 1497 CE1 TYR B 29 -7.648 -5.101 -4.276 1.00 0.00 C ATOM 1498 CE2 TYR B 29 -7.254 -2.947 -3.198 1.00 0.00 C ATOM 1499 CZ TYR B 29 -6.785 -4.211 -3.606 1.00 0.00 C ATOM 1500 OH TYR B 29 -5.479 -4.579 -3.349 1.00 0.00 O ATOM 0 H TYR B 29 -13.354 -2.722 -2.685 1.00 0.00 H new ATOM 0 HA TYR B 29 -11.935 -4.908 -4.048 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -11.089 -3.184 -5.474 1.00 0.00 H new ATOM 0 HB3 TYR B 29 -11.019 -2.013 -4.172 1.00 0.00 H new ATOM 0 HD1 TYR B 29 -9.640 -5.407 -5.054 1.00 0.00 H new ATOM 0 HD2 TYR B 29 -8.946 -1.605 -3.149 1.00 0.00 H new ATOM 0 HE1 TYR B 29 -7.288 -6.070 -4.588 1.00 0.00 H new ATOM 0 HE2 TYR B 29 -6.593 -2.265 -2.685 1.00 0.00 H new ATOM 0 HH TYR B 29 -5.020 -3.850 -2.881 1.00 0.00 H new ATOM 1510 N GLU B 30 -10.854 -5.243 -1.793 1.00 0.00 N ATOM 1511 CA GLU B 30 -10.370 -5.451 -0.389 1.00 0.00 C ATOM 1512 C GLU B 30 -8.858 -5.209 -0.323 1.00 0.00 C ATOM 1513 O GLU B 30 -8.155 -5.325 -1.307 1.00 0.00 O ATOM 1514 CB GLU B 30 -10.678 -6.885 0.047 1.00 0.00 C ATOM 1515 CG GLU B 30 -12.167 -7.014 0.380 1.00 0.00 C ATOM 1516 CD GLU B 30 -12.487 -8.466 0.736 1.00 0.00 C ATOM 1517 OE1 GLU B 30 -11.945 -9.347 0.089 1.00 0.00 O ATOM 1518 OE2 GLU B 30 -13.267 -8.673 1.650 1.00 0.00 O ATOM 0 H GLU B 30 -10.752 -6.048 -2.411 1.00 0.00 H new ATOM 0 HA GLU B 30 -10.876 -4.751 0.276 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.411 -7.582 -0.747 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -10.077 -7.148 0.917 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.422 -6.360 1.214 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -12.770 -6.696 -0.471 1.00 0.00 H new ATOM 1525 N THR B 31 -8.358 -4.865 0.832 1.00 0.00 N ATOM 1526 CA THR B 31 -6.893 -4.603 0.978 1.00 0.00 C ATOM 1527 C THR B 31 -6.112 -5.918 0.939 1.00 0.00 C ATOM 1528 O THR B 31 -6.628 -6.953 0.566 1.00 0.00 O ATOM 1529 CB THR B 31 -6.640 -3.911 2.320 1.00 0.00 C ATOM 1530 OG1 THR B 31 -7.366 -4.588 3.329 1.00 0.00 O ATOM 1531 CG2 THR B 31 -7.097 -2.453 2.237 1.00 0.00 C ATOM 0 H THR B 31 -8.902 -4.753 1.687 1.00 0.00 H new ATOM 0 HA THR B 31 -6.562 -3.968 0.157 1.00 0.00 H new ATOM 0 HB THR B 31 -5.576 -3.936 2.557 1.00 0.00 H new ATOM 0 HG1 THR B 31 -7.467 -5.531 3.082 1.00 0.00 H new ATOM 0 HG21 THR B 31 -6.917 -1.960 3.192 1.00 0.00 H new ATOM 0 HG22 THR B 31 -6.539 -1.941 1.454 1.00 0.00 H new ATOM 0 HG23 THR B 31 -8.162 -2.418 2.006 1.00 0.00 H new ATOM 1539 N SER B 32 -4.867 -5.877 1.328 1.00 0.00 N ATOM 1540 CA SER B 32 -4.029 -7.109 1.325 1.00 0.00 C ATOM 1541 C SER B 32 -4.232 -7.872 2.633 1.00 0.00 C ATOM 1542 O SER B 32 -5.322 -7.939 3.168 1.00 0.00 O ATOM 1543 CB SER B 32 -2.558 -6.717 1.196 1.00 0.00 C ATOM 1544 OG SER B 32 -1.789 -7.871 0.883 1.00 0.00 O ATOM 0 H SER B 32 -4.391 -5.035 1.651 1.00 0.00 H new ATOM 0 HA SER B 32 -4.319 -7.742 0.486 1.00 0.00 H new ATOM 0 HB2 SER B 32 -2.438 -5.964 0.417 1.00 0.00 H new ATOM 0 HB3 SER B 32 -2.205 -6.273 2.127 1.00 0.00 H new ATOM 0 HG SER B 32 -0.835 -7.658 0.955 1.00 0.00 H new ATOM 1550 N SER B 33 -3.183 -8.447 3.149 1.00 0.00 N ATOM 1551 CA SER B 33 -3.284 -9.218 4.425 1.00 0.00 C ATOM 1552 C SER B 33 -2.016 -8.989 5.244 1.00 0.00 C ATOM 1553 O SER B 33 -2.049 -8.910 6.455 1.00 0.00 O ATOM 1554 CB SER B 33 -3.402 -10.703 4.102 1.00 0.00 C ATOM 1555 OG SER B 33 -2.109 -11.228 3.834 1.00 0.00 O ATOM 0 H SER B 33 -2.249 -8.417 2.739 1.00 0.00 H new ATOM 0 HA SER B 33 -4.157 -8.890 4.988 1.00 0.00 H new ATOM 0 HB2 SER B 33 -3.857 -11.234 4.938 1.00 0.00 H new ATOM 0 HB3 SER B 33 -4.053 -10.849 3.240 1.00 0.00 H new ATOM 0 HG SER B 33 -2.180 -12.183 3.627 1.00 0.00 H new ATOM 1561 N LEU B 34 -0.900 -8.894 4.575 1.00 0.00 N ATOM 1562 CA LEU B 34 0.402 -8.676 5.274 1.00 0.00 C ATOM 1563 C LEU B 34 0.230 -7.675 6.419 1.00 0.00 C ATOM 1564 O LEU B 34 0.545 -7.956 7.558 1.00 0.00 O ATOM 1565 CB LEU B 34 1.426 -8.119 4.284 1.00 0.00 C ATOM 1566 CG LEU B 34 1.351 -8.882 2.961 1.00 0.00 C ATOM 1567 CD1 LEU B 34 2.499 -8.433 2.056 1.00 0.00 C ATOM 1568 CD2 LEU B 34 1.463 -10.387 3.226 1.00 0.00 C ATOM 0 H LEU B 34 -0.832 -8.959 3.559 1.00 0.00 H new ATOM 0 HA LEU B 34 0.746 -9.629 5.675 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.237 -7.059 4.112 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.429 -8.200 4.703 1.00 0.00 H new ATOM 0 HG LEU B 34 0.398 -8.675 2.474 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.450 -8.974 1.111 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.415 -7.363 1.866 1.00 0.00 H new ATOM 0 HD13 LEU B 34 3.451 -8.642 2.545 1.00 0.00 H new ATOM 0 HD21 LEU B 34 1.409 -10.928 2.281 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.414 -10.601 3.713 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.645 -10.704 3.873 1.00 0.00 H new ATOM 1580 N CYS B 35 -0.261 -6.509 6.119 1.00 0.00 N ATOM 1581 CA CYS B 35 -0.447 -5.487 7.185 1.00 0.00 C ATOM 1582 C CYS B 35 -1.564 -5.939 8.130 1.00 0.00 C ATOM 1583 O CYS B 35 -2.639 -6.303 7.711 1.00 0.00 O ATOM 1584 CB CYS B 35 -0.800 -4.137 6.549 1.00 0.00 C ATOM 1585 SG CYS B 35 -1.928 -4.389 5.155 1.00 0.00 S ATOM 0 H CYS B 35 -0.542 -6.218 5.183 1.00 0.00 H new ATOM 0 HA CYS B 35 0.476 -5.375 7.753 1.00 0.00 H new ATOM 0 HB2 CYS B 35 -1.264 -3.486 7.290 1.00 0.00 H new ATOM 0 HB3 CYS B 35 0.107 -3.637 6.209 1.00 0.00 H new ATOM 1590 N SER B 36 -1.299 -5.940 9.406 1.00 0.00 N ATOM 1591 CA SER B 36 -2.327 -6.379 10.392 1.00 0.00 C ATOM 1592 C SER B 36 -3.515 -5.405 10.425 1.00 0.00 C ATOM 1593 O SER B 36 -4.130 -5.221 11.456 1.00 0.00 O ATOM 1594 CB SER B 36 -1.693 -6.446 11.782 1.00 0.00 C ATOM 1595 OG SER B 36 -0.672 -7.434 11.784 1.00 0.00 O ATOM 0 H SER B 36 -0.408 -5.654 9.812 1.00 0.00 H new ATOM 0 HA SER B 36 -2.695 -7.361 10.094 1.00 0.00 H new ATOM 0 HB2 SER B 36 -1.277 -5.475 12.052 1.00 0.00 H new ATOM 0 HB3 SER B 36 -2.450 -6.687 12.529 1.00 0.00 H new ATOM 0 HG SER B 36 -0.262 -7.479 12.673 1.00 0.00 H new ATOM 1601 N GLN B 37 -3.855 -4.770 9.328 1.00 0.00 N ATOM 1602 CA GLN B 37 -5.011 -3.819 9.368 1.00 0.00 C ATOM 1603 C GLN B 37 -5.657 -3.676 7.981 1.00 0.00 C ATOM 1604 O GLN B 37 -5.639 -2.603 7.416 1.00 0.00 O ATOM 1605 CB GLN B 37 -4.517 -2.447 9.836 1.00 0.00 C ATOM 1606 CG GLN B 37 -3.249 -2.064 9.068 1.00 0.00 C ATOM 1607 CD GLN B 37 -2.931 -0.587 9.313 1.00 0.00 C ATOM 1608 OE1 GLN B 37 -3.190 0.249 8.470 1.00 0.00 O ATOM 1609 NE2 GLN B 37 -2.375 -0.230 10.438 1.00 0.00 N ATOM 0 H GLN B 37 -3.393 -4.866 8.424 1.00 0.00 H new ATOM 0 HA GLN B 37 -5.758 -4.211 10.059 1.00 0.00 H new ATOM 0 HB2 GLN B 37 -5.291 -1.697 9.675 1.00 0.00 H new ATOM 0 HB3 GLN B 37 -4.312 -2.469 10.906 1.00 0.00 H new ATOM 0 HG2 GLN B 37 -2.414 -2.685 9.391 1.00 0.00 H new ATOM 0 HG3 GLN B 37 -3.388 -2.245 8.002 1.00 0.00 H new ATOM 0 HE21 GLN B 37 -2.158 -0.932 11.145 1.00 0.00 H new ATOM 0 HE22 GLN B 37 -2.157 0.751 10.610 1.00 0.00 H new ATOM 1618 N PRO B 38 -6.231 -4.746 7.476 1.00 0.00 N ATOM 1619 CA PRO B 38 -6.904 -4.712 6.162 1.00 0.00 C ATOM 1620 C PRO B 38 -8.148 -3.818 6.257 1.00 0.00 C ATOM 1621 O PRO B 38 -8.470 -3.289 7.302 1.00 0.00 O ATOM 1622 CB PRO B 38 -7.291 -6.182 5.876 1.00 0.00 C ATOM 1623 CG PRO B 38 -6.970 -7.006 7.159 1.00 0.00 C ATOM 1624 CD PRO B 38 -6.256 -6.062 8.153 1.00 0.00 C ATOM 0 HA PRO B 38 -6.277 -4.307 5.368 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.349 -6.259 5.625 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -6.733 -6.567 5.023 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -7.885 -7.403 7.598 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -6.336 -7.859 6.918 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -6.791 -6.009 9.101 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.248 -6.411 8.375 1.00 0.00 H new ATOM 1632 N ALA B 39 -8.843 -3.656 5.173 1.00 0.00 N ATOM 1633 CA ALA B 39 -10.064 -2.815 5.173 1.00 0.00 C ATOM 1634 C ALA B 39 -10.784 -3.029 3.848 1.00 0.00 C ATOM 1635 O ALA B 39 -10.224 -3.575 2.917 1.00 0.00 O ATOM 1636 CB ALA B 39 -9.676 -1.341 5.311 1.00 0.00 C ATOM 0 H ALA B 39 -8.613 -4.077 4.273 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.710 -3.088 6.007 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -10.576 -0.726 5.311 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -9.136 -1.193 6.246 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -9.039 -1.053 4.475 1.00 0.00 H new ATOM 1642 N VAL B 40 -12.005 -2.588 3.733 1.00 0.00 N ATOM 1643 CA VAL B 40 -12.735 -2.751 2.443 1.00 0.00 C ATOM 1644 C VAL B 40 -12.602 -1.442 1.672 1.00 0.00 C ATOM 1645 O VAL B 40 -12.636 -0.371 2.245 1.00 0.00 O ATOM 1646 CB VAL B 40 -14.216 -3.054 2.709 1.00 0.00 C ATOM 1647 CG1 VAL B 40 -15.030 -2.836 1.429 1.00 0.00 C ATOM 1648 CG2 VAL B 40 -14.355 -4.512 3.142 1.00 0.00 C ATOM 0 H VAL B 40 -12.529 -2.123 4.474 1.00 0.00 H new ATOM 0 HA VAL B 40 -12.318 -3.579 1.870 1.00 0.00 H new ATOM 0 HB VAL B 40 -14.586 -2.391 3.491 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -16.080 -3.053 1.624 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -14.927 -1.800 1.105 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.662 -3.500 0.646 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -15.404 -4.736 3.333 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -13.983 -5.163 2.351 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -13.777 -4.678 4.051 1.00 0.00 H new ATOM 1658 N VAL B 41 -12.439 -1.527 0.380 1.00 0.00 N ATOM 1659 CA VAL B 41 -12.284 -0.292 -0.454 1.00 0.00 C ATOM 1660 C VAL B 41 -13.433 -0.208 -1.462 1.00 0.00 C ATOM 1661 O VAL B 41 -13.611 -1.077 -2.286 1.00 0.00 O ATOM 1662 CB VAL B 41 -10.939 -0.348 -1.188 1.00 0.00 C ATOM 1663 CG1 VAL B 41 -10.546 1.053 -1.648 1.00 0.00 C ATOM 1664 CG2 VAL B 41 -9.859 -0.880 -0.239 1.00 0.00 C ATOM 0 H VAL B 41 -12.406 -2.403 -0.141 1.00 0.00 H new ATOM 0 HA VAL B 41 -12.309 0.592 0.183 1.00 0.00 H new ATOM 0 HB VAL B 41 -11.031 -1.007 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -9.590 1.010 -2.169 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -11.309 1.442 -2.322 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -10.458 1.709 -0.782 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -8.903 -0.920 -0.761 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -9.774 -0.218 0.623 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -10.131 -1.881 0.097 1.00 0.00 H new ATOM 1674 N PHE B 42 -14.229 0.829 -1.395 1.00 0.00 N ATOM 1675 CA PHE B 42 -15.378 0.951 -2.344 1.00 0.00 C ATOM 1676 C PHE B 42 -14.956 1.713 -3.604 1.00 0.00 C ATOM 1677 O PHE B 42 -14.293 2.729 -3.542 1.00 0.00 O ATOM 1678 CB PHE B 42 -16.524 1.714 -1.670 1.00 0.00 C ATOM 1679 CG PHE B 42 -17.225 0.822 -0.668 1.00 0.00 C ATOM 1680 CD1 PHE B 42 -17.907 -0.331 -1.106 1.00 0.00 C ATOM 1681 CD2 PHE B 42 -17.206 1.147 0.703 1.00 0.00 C ATOM 1682 CE1 PHE B 42 -18.566 -1.157 -0.174 1.00 0.00 C ATOM 1683 CE2 PHE B 42 -17.865 0.323 1.633 1.00 0.00 C ATOM 1684 CZ PHE B 42 -18.545 -0.830 1.194 1.00 0.00 C ATOM 0 H PHE B 42 -14.134 1.594 -0.727 1.00 0.00 H new ATOM 0 HA PHE B 42 -15.703 -0.052 -2.620 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -16.136 2.601 -1.170 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -17.234 2.057 -2.422 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -17.924 -0.581 -2.156 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -16.684 2.031 1.040 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -19.087 -2.041 -0.510 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -17.850 0.574 2.683 1.00 0.00 H new ATOM 0 HZ PHE B 42 -19.050 -1.463 1.908 1.00 0.00 H new ATOM 1694 N GLN B 43 -15.371 1.234 -4.748 1.00 0.00 N ATOM 1695 CA GLN B 43 -15.045 1.922 -6.033 1.00 0.00 C ATOM 1696 C GLN B 43 -16.274 2.747 -6.434 1.00 0.00 C ATOM 1697 O GLN B 43 -17.363 2.213 -6.548 1.00 0.00 O ATOM 1698 CB GLN B 43 -14.740 0.863 -7.098 1.00 0.00 C ATOM 1699 CG GLN B 43 -13.471 0.101 -6.709 1.00 0.00 C ATOM 1700 CD GLN B 43 -13.318 -1.127 -7.607 1.00 0.00 C ATOM 1701 OE1 GLN B 43 -12.589 -1.097 -8.579 1.00 0.00 O ATOM 1702 NE2 GLN B 43 -13.981 -2.214 -7.323 1.00 0.00 N ATOM 0 H GLN B 43 -15.928 0.386 -4.848 1.00 0.00 H new ATOM 0 HA GLN B 43 -14.176 2.572 -5.931 1.00 0.00 H new ATOM 0 HB2 GLN B 43 -15.578 0.172 -7.190 1.00 0.00 H new ATOM 0 HB3 GLN B 43 -14.609 1.337 -8.071 1.00 0.00 H new ATOM 0 HG2 GLN B 43 -12.600 0.749 -6.809 1.00 0.00 H new ATOM 0 HG3 GLN B 43 -13.523 -0.204 -5.664 1.00 0.00 H new ATOM 0 HE21 GLN B 43 -14.593 -2.240 -6.507 1.00 0.00 H new ATOM 0 HE22 GLN B 43 -13.887 -3.038 -7.917 1.00 0.00 H new ATOM 1711 N THR B 44 -16.135 4.050 -6.601 1.00 0.00 N ATOM 1712 CA THR B 44 -17.342 4.892 -6.929 1.00 0.00 C ATOM 1713 C THR B 44 -17.436 5.219 -8.420 1.00 0.00 C ATOM 1714 O THR B 44 -16.883 4.542 -9.265 1.00 0.00 O ATOM 1715 CB THR B 44 -17.265 6.205 -6.154 1.00 0.00 C ATOM 1716 OG1 THR B 44 -16.412 7.103 -6.844 1.00 0.00 O ATOM 1717 CG2 THR B 44 -16.709 5.940 -4.753 1.00 0.00 C ATOM 0 H THR B 44 -15.254 4.559 -6.526 1.00 0.00 H new ATOM 0 HA THR B 44 -18.224 4.316 -6.650 1.00 0.00 H new ATOM 0 HB THR B 44 -18.261 6.640 -6.068 1.00 0.00 H new ATOM 0 HG1 THR B 44 -16.751 8.017 -6.745 1.00 0.00 H new ATOM 0 HG21 THR B 44 -16.654 6.878 -4.200 1.00 0.00 H new ATOM 0 HG22 THR B 44 -17.364 5.246 -4.227 1.00 0.00 H new ATOM 0 HG23 THR B 44 -15.712 5.507 -4.833 1.00 0.00 H new ATOM 1725 N LYS B 45 -18.168 6.266 -8.733 1.00 0.00 N ATOM 1726 CA LYS B 45 -18.363 6.688 -10.155 1.00 0.00 C ATOM 1727 C LYS B 45 -17.601 7.988 -10.432 1.00 0.00 C ATOM 1728 O LYS B 45 -17.241 8.270 -11.559 1.00 0.00 O ATOM 1729 CB LYS B 45 -19.846 6.958 -10.395 1.00 0.00 C ATOM 1730 CG LYS B 45 -20.666 5.739 -9.996 1.00 0.00 C ATOM 1731 CD LYS B 45 -22.148 6.001 -10.299 1.00 0.00 C ATOM 1732 CE LYS B 45 -22.888 4.674 -10.425 1.00 0.00 C ATOM 1733 NZ LYS B 45 -22.621 4.079 -11.765 1.00 0.00 N ATOM 0 H LYS B 45 -18.645 6.853 -8.049 1.00 0.00 H new ATOM 0 HA LYS B 45 -17.996 5.896 -10.808 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -20.165 7.826 -9.818 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -20.016 7.194 -11.446 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -20.321 4.861 -10.542 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -20.532 5.528 -8.935 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -22.591 6.602 -9.505 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -22.245 6.572 -11.222 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -22.564 3.990 -9.641 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -23.959 4.829 -10.291 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -22.873 3.070 -11.753 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -23.191 4.570 -12.483 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -21.612 4.181 -11.995 1.00 0.00 H new ATOM 1747 N ARG B 46 -17.378 8.795 -9.418 1.00 0.00 N ATOM 1748 CA ARG B 46 -16.666 10.102 -9.619 1.00 0.00 C ATOM 1749 C ARG B 46 -15.446 10.154 -8.698 1.00 0.00 C ATOM 1750 O ARG B 46 -15.214 11.114 -7.997 1.00 0.00 O ATOM 1751 CB ARG B 46 -17.640 11.253 -9.287 1.00 0.00 C ATOM 1752 CG ARG B 46 -17.206 12.578 -9.965 1.00 0.00 C ATOM 1753 CD ARG B 46 -16.126 13.309 -9.147 1.00 0.00 C ATOM 1754 NE ARG B 46 -16.236 14.785 -9.386 1.00 0.00 N ATOM 1755 CZ ARG B 46 -16.276 15.278 -10.597 1.00 0.00 C ATOM 1756 NH1 ARG B 46 -16.016 14.525 -11.629 1.00 0.00 N ATOM 1757 NH2 ARG B 46 -16.520 16.549 -10.769 1.00 0.00 N ATOM 0 H ARG B 46 -17.660 8.604 -8.456 1.00 0.00 H new ATOM 0 HA ARG B 46 -16.332 10.201 -10.652 1.00 0.00 H new ATOM 0 HB2 ARG B 46 -18.645 10.987 -9.616 1.00 0.00 H new ATOM 0 HB3 ARG B 46 -17.685 11.393 -8.207 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -16.825 12.368 -10.964 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -18.074 13.227 -10.084 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -16.248 13.091 -8.086 1.00 0.00 H new ATOM 0 HD3 ARG B 46 -15.135 12.956 -9.433 1.00 0.00 H new ATOM 0 HE ARG B 46 -16.281 15.418 -8.588 1.00 0.00 H new ATOM 0 HH11 ARG B 46 -15.779 13.542 -11.496 1.00 0.00 H new ATOM 0 HH12 ARG B 46 -16.050 14.919 -12.569 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -16.678 17.152 -9.962 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -16.552 16.939 -11.711 1.00 0.00 H new ATOM 1771 N SER B 47 -14.656 9.124 -8.703 1.00 0.00 N ATOM 1772 CA SER B 47 -13.446 9.112 -7.853 1.00 0.00 C ATOM 1773 C SER B 47 -12.572 7.945 -8.291 1.00 0.00 C ATOM 1774 O SER B 47 -12.132 7.873 -9.421 1.00 0.00 O ATOM 1775 CB SER B 47 -13.833 8.969 -6.374 1.00 0.00 C ATOM 1776 OG SER B 47 -14.296 7.652 -6.123 1.00 0.00 O ATOM 0 H SER B 47 -14.799 8.285 -9.264 1.00 0.00 H new ATOM 0 HA SER B 47 -12.900 10.049 -7.964 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.973 9.189 -5.741 1.00 0.00 H new ATOM 0 HB3 SER B 47 -14.609 9.691 -6.120 1.00 0.00 H new ATOM 0 HG SER B 47 -15.140 7.506 -6.599 1.00 0.00 H new ATOM 1782 N LYS B 48 -12.332 7.029 -7.416 1.00 0.00 N ATOM 1783 CA LYS B 48 -11.504 5.854 -7.767 1.00 0.00 C ATOM 1784 C LYS B 48 -11.811 4.760 -6.764 1.00 0.00 C ATOM 1785 O LYS B 48 -12.676 3.932 -6.965 1.00 0.00 O ATOM 1786 CB LYS B 48 -10.018 6.207 -7.666 1.00 0.00 C ATOM 1787 CG LYS B 48 -9.606 7.137 -8.813 1.00 0.00 C ATOM 1788 CD LYS B 48 -8.070 7.136 -8.952 1.00 0.00 C ATOM 1789 CE LYS B 48 -7.625 6.008 -9.893 1.00 0.00 C ATOM 1790 NZ LYS B 48 -6.181 5.714 -9.666 1.00 0.00 N ATOM 0 H LYS B 48 -12.678 7.041 -6.456 1.00 0.00 H new ATOM 0 HA LYS B 48 -11.724 5.534 -8.786 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -9.817 6.689 -6.709 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -9.419 5.297 -7.696 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -10.066 6.808 -9.745 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.963 8.149 -8.621 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -7.732 8.097 -9.339 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -7.609 7.006 -7.973 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -8.222 5.114 -9.714 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -7.789 6.299 -10.931 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -5.878 4.950 -10.303 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -5.619 6.568 -9.857 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -6.038 5.419 -8.679 1.00 0.00 H new ATOM 1804 N GLN B 49 -11.101 4.777 -5.670 1.00 0.00 N ATOM 1805 CA GLN B 49 -11.306 3.769 -4.596 1.00 0.00 C ATOM 1806 C GLN B 49 -11.358 4.509 -3.250 1.00 0.00 C ATOM 1807 O GLN B 49 -10.693 5.512 -3.059 1.00 0.00 O ATOM 1808 CB GLN B 49 -10.132 2.770 -4.622 1.00 0.00 C ATOM 1809 CG GLN B 49 -9.580 2.648 -6.047 1.00 0.00 C ATOM 1810 CD GLN B 49 -8.699 1.402 -6.153 1.00 0.00 C ATOM 1811 OE1 GLN B 49 -7.601 1.462 -6.670 1.00 0.00 O ATOM 1812 NE2 GLN B 49 -9.138 0.266 -5.683 1.00 0.00 N ATOM 0 H GLN B 49 -10.372 5.463 -5.473 1.00 0.00 H new ATOM 0 HA GLN B 49 -12.236 3.220 -4.743 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -9.345 3.103 -3.945 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -10.465 1.795 -4.267 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -10.401 2.587 -6.761 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -9.002 3.537 -6.301 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -10.060 0.216 -5.249 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -8.559 -0.571 -5.750 1.00 0.00 H new ATOM 1821 N VAL B 50 -12.150 4.035 -2.321 1.00 0.00 N ATOM 1822 CA VAL B 50 -12.255 4.716 -0.989 1.00 0.00 C ATOM 1823 C VAL B 50 -12.212 3.671 0.119 1.00 0.00 C ATOM 1824 O VAL B 50 -12.973 2.729 0.116 1.00 0.00 O ATOM 1825 CB VAL B 50 -13.578 5.487 -0.912 1.00 0.00 C ATOM 1826 CG1 VAL B 50 -13.543 6.439 0.286 1.00 0.00 C ATOM 1827 CG2 VAL B 50 -13.781 6.285 -2.209 1.00 0.00 C ATOM 0 H VAL B 50 -12.731 3.203 -2.426 1.00 0.00 H new ATOM 0 HA VAL B 50 -11.423 5.409 -0.868 1.00 0.00 H new ATOM 0 HB VAL B 50 -14.404 4.787 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL B 50 -14.483 6.988 0.342 1.00 0.00 H new ATOM 0 HG12 VAL B 50 -13.402 5.866 1.202 1.00 0.00 H new ATOM 0 HG13 VAL B 50 -12.719 7.142 0.168 1.00 0.00 H new ATOM 0 HG21 VAL B 50 -14.721 6.834 -2.155 1.00 0.00 H new ATOM 0 HG22 VAL B 50 -12.958 6.988 -2.336 1.00 0.00 H new ATOM 0 HG23 VAL B 50 -13.808 5.601 -3.057 1.00 0.00 H new ATOM 1837 N CYS B 51 -11.334 3.837 1.068 1.00 0.00 N ATOM 1838 CA CYS B 51 -11.232 2.849 2.177 1.00 0.00 C ATOM 1839 C CYS B 51 -12.439 2.992 3.103 1.00 0.00 C ATOM 1840 O CYS B 51 -13.016 4.053 3.233 1.00 0.00 O ATOM 1841 CB CYS B 51 -9.947 3.112 2.964 1.00 0.00 C ATOM 1842 SG CYS B 51 -8.518 2.903 1.871 1.00 0.00 S ATOM 0 H CYS B 51 -10.680 4.618 1.123 1.00 0.00 H new ATOM 0 HA CYS B 51 -11.212 1.839 1.769 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -9.960 4.121 3.375 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -9.877 2.425 3.807 1.00 0.00 H new ATOM 1847 N ALA B 52 -12.834 1.919 3.740 1.00 0.00 N ATOM 1848 CA ALA B 52 -14.015 1.969 4.652 1.00 0.00 C ATOM 1849 C ALA B 52 -13.771 1.054 5.855 1.00 0.00 C ATOM 1850 O ALA B 52 -13.324 -0.069 5.712 1.00 0.00 O ATOM 1851 CB ALA B 52 -15.255 1.484 3.897 1.00 0.00 C ATOM 0 H ALA B 52 -12.386 1.006 3.667 1.00 0.00 H new ATOM 0 HA ALA B 52 -14.166 2.992 4.996 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -16.121 1.519 4.559 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -15.431 2.128 3.035 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -15.098 0.460 3.559 1.00 0.00 H new ATOM 1857 N ASP B 53 -14.061 1.526 7.036 1.00 0.00 N ATOM 1858 CA ASP B 53 -13.847 0.690 8.252 1.00 0.00 C ATOM 1859 C ASP B 53 -14.864 -0.479 8.257 1.00 0.00 C ATOM 1860 O ASP B 53 -16.050 -0.223 8.320 1.00 0.00 O ATOM 1861 CB ASP B 53 -14.083 1.554 9.493 1.00 0.00 C ATOM 1862 CG ASP B 53 -13.570 0.818 10.732 1.00 0.00 C ATOM 1863 OD1 ASP B 53 -13.631 -0.401 10.740 1.00 0.00 O ATOM 1864 OD2 ASP B 53 -13.124 1.485 11.651 1.00 0.00 O ATOM 0 H ASP B 53 -14.438 2.457 7.212 1.00 0.00 H new ATOM 0 HA ASP B 53 -12.831 0.295 8.254 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -13.570 2.510 9.387 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -15.145 1.772 9.601 1.00 0.00 H new ATOM 1869 N PRO B 54 -14.414 -1.729 8.197 1.00 0.00 N ATOM 1870 CA PRO B 54 -15.355 -2.868 8.205 1.00 0.00 C ATOM 1871 C PRO B 54 -16.175 -2.863 9.505 1.00 0.00 C ATOM 1872 O PRO B 54 -17.081 -3.653 9.683 1.00 0.00 O ATOM 1873 CB PRO B 54 -14.465 -4.129 8.119 1.00 0.00 C ATOM 1874 CG PRO B 54 -12.986 -3.657 8.038 1.00 0.00 C ATOM 1875 CD PRO B 54 -12.984 -2.114 8.117 1.00 0.00 C ATOM 0 HA PRO B 54 -16.068 -2.824 7.381 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -14.617 -4.765 8.991 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -14.726 -4.723 7.243 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -12.403 -4.083 8.854 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -12.527 -3.994 7.108 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -12.432 -1.765 8.990 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -12.506 -1.675 7.241 1.00 0.00 H new ATOM 1883 N SER B 55 -15.849 -1.992 10.415 1.00 0.00 N ATOM 1884 CA SER B 55 -16.591 -1.949 11.709 1.00 0.00 C ATOM 1885 C SER B 55 -17.949 -1.272 11.514 1.00 0.00 C ATOM 1886 O SER B 55 -18.855 -1.451 12.303 1.00 0.00 O ATOM 1887 CB SER B 55 -15.775 -1.159 12.733 1.00 0.00 C ATOM 1888 OG SER B 55 -14.428 -1.614 12.711 1.00 0.00 O ATOM 0 H SER B 55 -15.100 -1.306 10.321 1.00 0.00 H new ATOM 0 HA SER B 55 -16.748 -2.967 12.065 1.00 0.00 H new ATOM 0 HB2 SER B 55 -15.815 -0.094 12.504 1.00 0.00 H new ATOM 0 HB3 SER B 55 -16.198 -1.287 13.729 1.00 0.00 H new ATOM 0 HG SER B 55 -13.937 -1.147 12.003 1.00 0.00 H new ATOM 1894 N GLU B 56 -18.108 -0.504 10.471 1.00 0.00 N ATOM 1895 CA GLU B 56 -19.420 0.169 10.241 1.00 0.00 C ATOM 1896 C GLU B 56 -20.384 -0.827 9.588 1.00 0.00 C ATOM 1897 O GLU B 56 -20.145 -1.336 8.511 1.00 0.00 O ATOM 1898 CB GLU B 56 -19.222 1.383 9.331 1.00 0.00 C ATOM 1899 CG GLU B 56 -18.689 2.564 10.150 1.00 0.00 C ATOM 1900 CD GLU B 56 -19.804 3.114 11.040 1.00 0.00 C ATOM 1901 OE1 GLU B 56 -20.926 3.202 10.566 1.00 0.00 O ATOM 1902 OE2 GLU B 56 -19.519 3.440 12.181 1.00 0.00 O ATOM 0 H GLU B 56 -17.391 -0.313 9.771 1.00 0.00 H new ATOM 0 HA GLU B 56 -19.836 0.506 11.191 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -18.524 1.139 8.531 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -20.167 1.653 8.859 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -17.845 2.244 10.762 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -18.322 3.345 9.484 1.00 0.00 H new ATOM 1909 N SER B 57 -21.463 -1.116 10.256 1.00 0.00 N ATOM 1910 CA SER B 57 -22.458 -2.091 9.725 1.00 0.00 C ATOM 1911 C SER B 57 -22.831 -1.782 8.272 1.00 0.00 C ATOM 1912 O SER B 57 -23.005 -2.680 7.472 1.00 0.00 O ATOM 1913 CB SER B 57 -23.720 -2.038 10.587 1.00 0.00 C ATOM 1914 OG SER B 57 -24.780 -2.694 9.906 1.00 0.00 O ATOM 0 H SER B 57 -21.703 -0.713 11.162 1.00 0.00 H new ATOM 0 HA SER B 57 -22.010 -3.084 9.757 1.00 0.00 H new ATOM 0 HB2 SER B 57 -23.538 -2.518 11.549 1.00 0.00 H new ATOM 0 HB3 SER B 57 -23.990 -1.002 10.793 1.00 0.00 H new ATOM 0 HG SER B 57 -25.591 -2.664 10.456 1.00 0.00 H new ATOM 1920 N TRP B 58 -22.980 -0.535 7.916 1.00 0.00 N ATOM 1921 CA TRP B 58 -23.371 -0.227 6.511 1.00 0.00 C ATOM 1922 C TRP B 58 -22.301 -0.746 5.555 1.00 0.00 C ATOM 1923 O TRP B 58 -22.587 -1.129 4.440 1.00 0.00 O ATOM 1924 CB TRP B 58 -23.606 1.280 6.327 1.00 0.00 C ATOM 1925 CG TRP B 58 -22.320 2.039 6.220 1.00 0.00 C ATOM 1926 CD1 TRP B 58 -21.798 2.812 7.201 1.00 0.00 C ATOM 1927 CD2 TRP B 58 -21.408 2.150 5.085 1.00 0.00 C ATOM 1928 NE1 TRP B 58 -20.629 3.391 6.745 1.00 0.00 N ATOM 1929 CE2 TRP B 58 -20.339 3.010 5.452 1.00 0.00 C ATOM 1930 CE3 TRP B 58 -21.400 1.593 3.785 1.00 0.00 C ATOM 1931 CZ2 TRP B 58 -19.297 3.308 4.564 1.00 0.00 C ATOM 1932 CZ3 TRP B 58 -20.352 1.891 2.886 1.00 0.00 C ATOM 1933 CH2 TRP B 58 -19.303 2.745 3.277 1.00 0.00 C ATOM 0 H TRP B 58 -22.850 0.272 8.526 1.00 0.00 H new ATOM 0 HA TRP B 58 -24.311 -0.730 6.283 1.00 0.00 H new ATOM 0 HB2 TRP B 58 -24.201 1.447 5.429 1.00 0.00 H new ATOM 0 HB3 TRP B 58 -24.184 1.662 7.169 1.00 0.00 H new ATOM 0 HD1 TRP B 58 -22.226 2.953 8.182 1.00 0.00 H new ATOM 0 HE1 TRP B 58 -20.051 4.024 7.298 1.00 0.00 H new ATOM 0 HE3 TRP B 58 -22.200 0.936 3.478 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 -18.495 3.965 4.867 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 -20.355 1.462 1.895 1.00 0.00 H new ATOM 0 HH2 TRP B 58 -18.502 2.967 2.587 1.00 0.00 H new ATOM 1944 N VAL B 59 -21.075 -0.792 5.983 1.00 0.00 N ATOM 1945 CA VAL B 59 -20.010 -1.313 5.088 1.00 0.00 C ATOM 1946 C VAL B 59 -20.257 -2.797 4.850 1.00 0.00 C ATOM 1947 O VAL B 59 -20.215 -3.273 3.734 1.00 0.00 O ATOM 1948 CB VAL B 59 -18.650 -1.109 5.750 1.00 0.00 C ATOM 1949 CG1 VAL B 59 -17.547 -1.703 4.870 1.00 0.00 C ATOM 1950 CG2 VAL B 59 -18.420 0.390 5.932 1.00 0.00 C ATOM 0 H VAL B 59 -20.765 -0.494 6.908 1.00 0.00 H new ATOM 0 HA VAL B 59 -20.023 -0.783 4.136 1.00 0.00 H new ATOM 0 HB VAL B 59 -18.628 -1.609 6.718 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -16.579 -1.554 5.349 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -17.724 -2.770 4.735 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -17.551 -1.209 3.898 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -17.452 0.555 6.404 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -18.438 0.882 4.959 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -19.206 0.805 6.562 1.00 0.00 H new ATOM 1960 N GLN B 60 -20.535 -3.530 5.887 1.00 0.00 N ATOM 1961 CA GLN B 60 -20.806 -4.982 5.710 1.00 0.00 C ATOM 1962 C GLN B 60 -22.076 -5.156 4.874 1.00 0.00 C ATOM 1963 O GLN B 60 -22.181 -6.053 4.060 1.00 0.00 O ATOM 1964 CB GLN B 60 -20.996 -5.639 7.079 1.00 0.00 C ATOM 1965 CG GLN B 60 -19.757 -5.391 7.941 1.00 0.00 C ATOM 1966 CD GLN B 60 -20.000 -5.927 9.353 1.00 0.00 C ATOM 1967 OE1 GLN B 60 -20.094 -5.167 10.296 1.00 0.00 O ATOM 1968 NE2 GLN B 60 -20.106 -7.214 9.539 1.00 0.00 N ATOM 0 H GLN B 60 -20.587 -3.190 6.847 1.00 0.00 H new ATOM 0 HA GLN B 60 -19.965 -5.454 5.201 1.00 0.00 H new ATOM 0 HB2 GLN B 60 -21.880 -5.233 7.570 1.00 0.00 H new ATOM 0 HB3 GLN B 60 -21.161 -6.710 6.960 1.00 0.00 H new ATOM 0 HG2 GLN B 60 -18.890 -5.881 7.499 1.00 0.00 H new ATOM 0 HG3 GLN B 60 -19.535 -4.324 7.979 1.00 0.00 H new ATOM 0 HE21 GLN B 60 -20.027 -7.852 8.747 1.00 0.00 H new ATOM 0 HE22 GLN B 60 -20.268 -7.582 10.476 1.00 0.00 H new ATOM 1977 N GLU B 61 -23.044 -4.304 5.074 1.00 0.00 N ATOM 1978 CA GLU B 61 -24.315 -4.409 4.300 1.00 0.00 C ATOM 1979 C GLU B 61 -24.051 -4.133 2.817 1.00 0.00 C ATOM 1980 O GLU B 61 -24.468 -4.879 1.953 1.00 0.00 O ATOM 1981 CB GLU B 61 -25.322 -3.388 4.835 1.00 0.00 C ATOM 1982 CG GLU B 61 -26.696 -3.651 4.215 1.00 0.00 C ATOM 1983 CD GLU B 61 -27.735 -2.742 4.874 1.00 0.00 C ATOM 1984 OE1 GLU B 61 -28.192 -3.083 5.954 1.00 0.00 O ATOM 1985 OE2 GLU B 61 -28.057 -1.721 4.289 1.00 0.00 O ATOM 0 H GLU B 61 -23.010 -3.535 5.744 1.00 0.00 H new ATOM 0 HA GLU B 61 -24.717 -5.416 4.410 1.00 0.00 H new ATOM 0 HB2 GLU B 61 -25.383 -3.456 5.921 1.00 0.00 H new ATOM 0 HB3 GLU B 61 -24.992 -2.377 4.597 1.00 0.00 H new ATOM 0 HG2 GLU B 61 -26.664 -3.466 3.141 1.00 0.00 H new ATOM 0 HG3 GLU B 61 -26.974 -4.696 4.350 1.00 0.00 H new ATOM 1992 N TYR B 62 -23.368 -3.064 2.516 1.00 0.00 N ATOM 1993 CA TYR B 62 -23.082 -2.735 1.088 1.00 0.00 C ATOM 1994 C TYR B 62 -22.242 -3.853 0.463 1.00 0.00 C ATOM 1995 O TYR B 62 -22.411 -4.194 -0.691 1.00 0.00 O ATOM 1996 CB TYR B 62 -22.318 -1.402 1.004 1.00 0.00 C ATOM 1997 CG TYR B 62 -23.279 -0.227 1.080 1.00 0.00 C ATOM 1998 CD1 TYR B 62 -24.230 -0.139 2.120 1.00 0.00 C ATOM 1999 CD2 TYR B 62 -23.217 0.791 0.104 1.00 0.00 C ATOM 2000 CE1 TYR B 62 -25.109 0.959 2.182 1.00 0.00 C ATOM 2001 CE2 TYR B 62 -24.097 1.887 0.168 1.00 0.00 C ATOM 2002 CZ TYR B 62 -25.043 1.971 1.207 1.00 0.00 C ATOM 2003 OH TYR B 62 -25.905 3.047 1.269 1.00 0.00 O ATOM 0 H TYR B 62 -22.994 -2.402 3.196 1.00 0.00 H new ATOM 0 HA TYR B 62 -24.022 -2.643 0.544 1.00 0.00 H new ATOM 0 HB2 TYR B 62 -21.595 -1.340 1.817 1.00 0.00 H new ATOM 0 HB3 TYR B 62 -21.755 -1.358 0.072 1.00 0.00 H new ATOM 0 HD1 TYR B 62 -24.283 -0.915 2.869 1.00 0.00 H new ATOM 0 HD2 TYR B 62 -22.492 0.728 -0.694 1.00 0.00 H new ATOM 0 HE1 TYR B 62 -25.835 1.024 2.979 1.00 0.00 H new ATOM 0 HE2 TYR B 62 -24.047 2.664 -0.580 1.00 0.00 H new ATOM 0 HH TYR B 62 -25.725 3.654 0.521 1.00 0.00 H new ATOM 2013 N VAL B 63 -21.347 -4.436 1.212 1.00 0.00 N ATOM 2014 CA VAL B 63 -20.520 -5.535 0.650 1.00 0.00 C ATOM 2015 C VAL B 63 -21.438 -6.705 0.337 1.00 0.00 C ATOM 2016 O VAL B 63 -21.298 -7.377 -0.664 1.00 0.00 O ATOM 2017 CB VAL B 63 -19.467 -5.958 1.678 1.00 0.00 C ATOM 2018 CG1 VAL B 63 -18.778 -7.247 1.217 1.00 0.00 C ATOM 2019 CG2 VAL B 63 -18.423 -4.848 1.825 1.00 0.00 C ATOM 0 H VAL B 63 -21.155 -4.198 2.185 1.00 0.00 H new ATOM 0 HA VAL B 63 -20.012 -5.206 -0.256 1.00 0.00 H new ATOM 0 HB VAL B 63 -19.953 -6.134 2.638 1.00 0.00 H new ATOM 0 HG11 VAL B 63 -18.030 -7.543 1.953 1.00 0.00 H new ATOM 0 HG12 VAL B 63 -19.519 -8.039 1.115 1.00 0.00 H new ATOM 0 HG13 VAL B 63 -18.294 -7.077 0.255 1.00 0.00 H new ATOM 0 HG21 VAL B 63 -17.673 -5.148 2.557 1.00 0.00 H new ATOM 0 HG22 VAL B 63 -17.941 -4.672 0.863 1.00 0.00 H new ATOM 0 HG23 VAL B 63 -18.910 -3.932 2.160 1.00 0.00 H new ATOM 2029 N TYR B 64 -22.388 -6.945 1.193 1.00 0.00 N ATOM 2030 CA TYR B 64 -23.330 -8.065 0.960 1.00 0.00 C ATOM 2031 C TYR B 64 -24.121 -7.790 -0.316 1.00 0.00 C ATOM 2032 O TYR B 64 -24.328 -8.661 -1.135 1.00 0.00 O ATOM 2033 CB TYR B 64 -24.289 -8.170 2.150 1.00 0.00 C ATOM 2034 CG TYR B 64 -24.940 -9.535 2.166 1.00 0.00 C ATOM 2035 CD1 TYR B 64 -24.202 -10.662 2.577 1.00 0.00 C ATOM 2036 CD2 TYR B 64 -26.284 -9.681 1.768 1.00 0.00 C ATOM 2037 CE1 TYR B 64 -24.808 -11.934 2.591 1.00 0.00 C ATOM 2038 CE2 TYR B 64 -26.889 -10.951 1.783 1.00 0.00 C ATOM 2039 CZ TYR B 64 -26.151 -12.078 2.195 1.00 0.00 C ATOM 2040 OH TYR B 64 -26.745 -13.323 2.209 1.00 0.00 O ATOM 0 H TYR B 64 -22.551 -6.411 2.046 1.00 0.00 H new ATOM 0 HA TYR B 64 -22.781 -9.001 0.854 1.00 0.00 H new ATOM 0 HB2 TYR B 64 -23.747 -8.005 3.081 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -25.052 -7.394 2.083 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -23.172 -10.551 2.881 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -26.850 -8.817 1.451 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -24.242 -12.798 2.906 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -27.919 -11.062 1.479 1.00 0.00 H new ATOM 0 HH TYR B 64 -27.674 -13.245 1.908 1.00 0.00 H new ATOM 2050 N ASP B 65 -24.562 -6.578 -0.480 1.00 0.00 N ATOM 2051 CA ASP B 65 -25.346 -6.221 -1.695 1.00 0.00 C ATOM 2052 C ASP B 65 -24.484 -6.431 -2.942 1.00 0.00 C ATOM 2053 O ASP B 65 -24.967 -6.821 -3.987 1.00 0.00 O ATOM 2054 CB ASP B 65 -25.769 -4.751 -1.603 1.00 0.00 C ATOM 2055 CG ASP B 65 -26.976 -4.616 -0.670 1.00 0.00 C ATOM 2056 OD1 ASP B 65 -28.087 -4.783 -1.144 1.00 0.00 O ATOM 2057 OD2 ASP B 65 -26.766 -4.349 0.502 1.00 0.00 O ATOM 0 H ASP B 65 -24.413 -5.813 0.178 1.00 0.00 H new ATOM 0 HA ASP B 65 -26.231 -6.854 -1.761 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -24.941 -4.147 -1.231 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -26.020 -4.372 -2.594 1.00 0.00 H new ATOM 2062 N LEU B 66 -23.212 -6.174 -2.839 1.00 0.00 N ATOM 2063 CA LEU B 66 -22.311 -6.354 -4.010 1.00 0.00 C ATOM 2064 C LEU B 66 -22.116 -7.849 -4.278 1.00 0.00 C ATOM 2065 O LEU B 66 -21.906 -8.268 -5.399 1.00 0.00 O ATOM 2066 CB LEU B 66 -20.960 -5.695 -3.700 1.00 0.00 C ATOM 2067 CG LEU B 66 -21.043 -4.172 -3.932 1.00 0.00 C ATOM 2068 CD1 LEU B 66 -19.938 -3.467 -3.141 1.00 0.00 C ATOM 2069 CD2 LEU B 66 -20.858 -3.846 -5.424 1.00 0.00 C ATOM 0 H LEU B 66 -22.754 -5.845 -1.989 1.00 0.00 H new ATOM 0 HA LEU B 66 -22.748 -5.891 -4.895 1.00 0.00 H new ATOM 0 HB2 LEU B 66 -20.677 -5.898 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU B 66 -20.184 -6.125 -4.333 1.00 0.00 H new ATOM 0 HG LEU B 66 -22.023 -3.828 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU B 66 -20.001 -2.392 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU B 66 -20.061 -3.677 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU B 66 -18.965 -3.830 -3.473 1.00 0.00 H new ATOM 0 HD21 LEU B 66 -20.919 -2.768 -5.571 1.00 0.00 H new ATOM 0 HD22 LEU B 66 -19.883 -4.203 -5.756 1.00 0.00 H new ATOM 0 HD23 LEU B 66 -21.640 -4.336 -6.003 1.00 0.00 H new ATOM 2081 N GLU B 67 -22.190 -8.653 -3.258 1.00 0.00 N ATOM 2082 CA GLU B 67 -22.016 -10.121 -3.450 1.00 0.00 C ATOM 2083 C GLU B 67 -23.255 -10.689 -4.140 1.00 0.00 C ATOM 2084 O GLU B 67 -23.186 -11.658 -4.869 1.00 0.00 O ATOM 2085 CB GLU B 67 -21.847 -10.794 -2.086 1.00 0.00 C ATOM 2086 CG GLU B 67 -20.524 -10.353 -1.452 1.00 0.00 C ATOM 2087 CD GLU B 67 -19.365 -11.143 -2.064 1.00 0.00 C ATOM 2088 OE1 GLU B 67 -19.431 -12.361 -2.050 1.00 0.00 O ATOM 2089 OE2 GLU B 67 -18.430 -10.516 -2.536 1.00 0.00 O ATOM 0 H GLU B 67 -22.364 -8.359 -2.297 1.00 0.00 H new ATOM 0 HA GLU B 67 -21.134 -10.308 -4.063 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -22.680 -10.530 -1.434 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -21.863 -11.878 -2.200 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -20.372 -9.285 -1.611 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -20.556 -10.513 -0.374 1.00 0.00 H new