USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 366 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 ASN : amide:sc= -0.221! C(o=0.61!,f=-15!) USER MOD Set 1.2: A 46 SER OG : rot 103:sc= 0.831 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 150:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.808 K(o=-0.81,f=-4.2!) USER MOD Single : A 15 TYR OH : rot 150:sc= -1.68 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0369 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc=-0.00192 K(o=-0.0019,f=-1.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -3.11! X(o=-3.1!,f=-2.7) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 149:sc= -0.219 (180deg=-1.3) USER MOD Single : A 53 GLN : amide:sc= -0.75 K(o=-0.75,f=-0.0042) USER MOD ----------------------------------------------------------------- ATOM 82 N SER A 7 13.160 2.087 3.843 1.00 0.00 N ATOM 83 CA SER A 7 14.236 1.621 2.921 1.00 0.00 C ATOM 84 C SER A 7 13.761 0.398 2.132 1.00 0.00 C ATOM 85 O SER A 7 13.277 -0.565 2.692 1.00 0.00 O ATOM 86 CB SER A 7 15.406 1.249 3.833 1.00 0.00 C ATOM 87 OG SER A 7 16.536 0.916 3.040 1.00 0.00 O ATOM 0 HA SER A 7 14.514 2.382 2.192 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.645 2.082 4.494 1.00 0.00 H new ATOM 0 HB3 SER A 7 15.133 0.406 4.468 1.00 0.00 H new ATOM 0 HG SER A 7 17.287 0.679 3.624 1.00 0.00 H new ATOM 93 N TYR A 8 13.896 0.430 0.835 1.00 0.00 N ATOM 94 CA TYR A 8 13.451 -0.729 0.009 1.00 0.00 C ATOM 95 C TYR A 8 14.167 -2.005 0.461 1.00 0.00 C ATOM 96 O TYR A 8 13.566 -3.052 0.591 1.00 0.00 O ATOM 97 CB TYR A 8 13.845 -0.370 -1.423 1.00 0.00 C ATOM 98 CG TYR A 8 13.003 0.788 -1.900 1.00 0.00 C ATOM 99 CD1 TYR A 8 11.610 0.744 -1.764 1.00 0.00 C ATOM 100 CD2 TYR A 8 13.615 1.908 -2.476 1.00 0.00 C ATOM 101 CE1 TYR A 8 10.830 1.820 -2.205 1.00 0.00 C ATOM 102 CE2 TYR A 8 12.835 2.983 -2.918 1.00 0.00 C ATOM 103 CZ TYR A 8 11.442 2.940 -2.782 1.00 0.00 C ATOM 104 OH TYR A 8 10.672 3.999 -3.215 1.00 0.00 O ATOM 0 H TYR A 8 14.295 1.209 0.311 1.00 0.00 H new ATOM 0 HA TYR A 8 12.381 -0.916 0.101 1.00 0.00 H new ATOM 0 HB2 TYR A 8 14.902 -0.107 -1.466 1.00 0.00 H new ATOM 0 HB3 TYR A 8 13.704 -1.230 -2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 8 11.138 -0.119 -1.319 1.00 0.00 H new ATOM 0 HD2 TYR A 8 14.689 1.942 -2.579 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.756 1.786 -2.100 1.00 0.00 H new ATOM 0 HE2 TYR A 8 13.308 3.846 -3.364 1.00 0.00 H new ATOM 0 HH TYR A 8 11.185 4.830 -3.135 1.00 0.00 H new ATOM 114 N ALA A 9 15.448 -1.926 0.700 1.00 0.00 N ATOM 115 CA ALA A 9 16.197 -3.137 1.143 1.00 0.00 C ATOM 116 C ALA A 9 15.467 -3.808 2.308 1.00 0.00 C ATOM 117 O ALA A 9 15.409 -5.017 2.405 1.00 0.00 O ATOM 118 CB ALA A 9 17.564 -2.619 1.586 1.00 0.00 C ATOM 0 H ALA A 9 16.007 -1.078 0.608 1.00 0.00 H new ATOM 0 HA ALA A 9 16.285 -3.883 0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.176 -3.454 1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 9 18.056 -2.127 0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.436 -1.906 2.400 1.00 0.00 H new ATOM 124 N GLU A 10 14.901 -3.028 3.186 1.00 0.00 N ATOM 125 CA GLU A 10 14.163 -3.616 4.339 1.00 0.00 C ATOM 126 C GLU A 10 12.768 -4.046 3.885 1.00 0.00 C ATOM 127 O GLU A 10 12.256 -5.069 4.292 1.00 0.00 O ATOM 128 CB GLU A 10 14.071 -2.491 5.370 1.00 0.00 C ATOM 129 CG GLU A 10 13.505 -3.042 6.680 1.00 0.00 C ATOM 130 CD GLU A 10 13.308 -1.895 7.673 1.00 0.00 C ATOM 131 OE1 GLU A 10 13.676 -0.780 7.342 1.00 0.00 O ATOM 132 OE2 GLU A 10 12.791 -2.151 8.749 1.00 0.00 O ATOM 0 H GLU A 10 14.917 -2.009 3.155 1.00 0.00 H new ATOM 0 HA GLU A 10 14.658 -4.496 4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.057 -2.059 5.541 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.433 -1.691 4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.556 -3.544 6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.184 -3.786 7.097 1.00 0.00 H new ATOM 139 N LEU A 11 12.159 -3.272 3.030 1.00 0.00 N ATOM 140 CA LEU A 11 10.804 -3.632 2.530 1.00 0.00 C ATOM 141 C LEU A 11 10.907 -4.841 1.603 1.00 0.00 C ATOM 142 O LEU A 11 10.323 -5.877 1.845 1.00 0.00 O ATOM 143 CB LEU A 11 10.331 -2.400 1.759 1.00 0.00 C ATOM 144 CG LEU A 11 8.819 -2.242 1.926 1.00 0.00 C ATOM 145 CD1 LEU A 11 8.531 -1.217 3.024 1.00 0.00 C ATOM 146 CD2 LEU A 11 8.210 -1.761 0.607 1.00 0.00 C ATOM 0 H LEU A 11 12.543 -2.404 2.656 1.00 0.00 H new ATOM 0 HA LEU A 11 10.114 -3.897 3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.843 -1.510 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.582 -2.500 0.703 1.00 0.00 H new ATOM 0 HG LEU A 11 8.381 -3.201 2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.453 -1.104 3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.966 -1.558 3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.968 -0.257 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.132 -1.648 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.648 -0.801 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.415 -2.491 -0.176 1.00 0.00 H new ATOM 158 N CYS A 12 11.660 -4.715 0.549 1.00 0.00 N ATOM 159 CA CYS A 12 11.820 -5.858 -0.394 1.00 0.00 C ATOM 160 C CYS A 12 12.494 -7.026 0.323 1.00 0.00 C ATOM 161 O CYS A 12 12.525 -8.135 -0.170 1.00 0.00 O ATOM 162 CB CYS A 12 12.713 -5.330 -1.515 1.00 0.00 C ATOM 163 SG CYS A 12 11.716 -4.359 -2.669 1.00 0.00 S ATOM 0 H CYS A 12 12.173 -3.870 0.298 1.00 0.00 H new ATOM 0 HA CYS A 12 10.866 -6.219 -0.777 1.00 0.00 H new ATOM 0 HB2 CYS A 12 13.511 -4.715 -1.100 1.00 0.00 H new ATOM 0 HB3 CYS A 12 13.189 -6.160 -2.037 1.00 0.00 H new ATOM 168 N ASN A 13 13.032 -6.781 1.487 1.00 0.00 N ATOM 169 CA ASN A 13 13.701 -7.873 2.247 1.00 0.00 C ATOM 170 C ASN A 13 12.871 -9.151 2.155 1.00 0.00 C ATOM 171 O ASN A 13 13.353 -10.193 1.756 1.00 0.00 O ATOM 172 CB ASN A 13 13.751 -7.370 3.688 1.00 0.00 C ATOM 173 CG ASN A 13 14.563 -8.344 4.543 1.00 0.00 C ATOM 174 OD1 ASN A 13 14.727 -9.494 4.184 1.00 0.00 O ATOM 175 ND2 ASN A 13 15.082 -7.933 5.668 1.00 0.00 N ATOM 0 H ASN A 13 13.037 -5.869 1.945 1.00 0.00 H new ATOM 0 HA ASN A 13 14.694 -8.106 1.861 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.201 -6.378 3.722 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.741 -7.276 4.086 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.624 -8.576 6.245 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.945 -6.969 5.970 1.00 0.00 H new ATOM 182 N GLU A 14 11.624 -9.073 2.517 1.00 0.00 N ATOM 183 CA GLU A 14 10.752 -10.279 2.445 1.00 0.00 C ATOM 184 C GLU A 14 10.914 -10.963 1.084 1.00 0.00 C ATOM 185 O GLU A 14 10.672 -12.145 0.943 1.00 0.00 O ATOM 186 CB GLU A 14 9.328 -9.753 2.618 1.00 0.00 C ATOM 187 CG GLU A 14 8.369 -10.932 2.801 1.00 0.00 C ATOM 188 CD GLU A 14 6.963 -10.407 3.094 1.00 0.00 C ATOM 189 OE1 GLU A 14 6.783 -9.200 3.057 1.00 0.00 O ATOM 190 OE2 GLU A 14 6.089 -11.219 3.348 1.00 0.00 O ATOM 0 H GLU A 14 11.169 -8.227 2.860 1.00 0.00 H new ATOM 0 HA GLU A 14 11.004 -11.018 3.205 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.276 -9.090 3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.037 -9.165 1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.358 -11.548 1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.709 -11.567 3.619 1.00 0.00 H new ATOM 197 N TYR A 15 11.323 -10.232 0.081 1.00 0.00 N ATOM 198 CA TYR A 15 11.499 -10.850 -1.263 1.00 0.00 C ATOM 199 C TYR A 15 12.936 -11.350 -1.424 1.00 0.00 C ATOM 200 O TYR A 15 13.250 -12.081 -2.344 1.00 0.00 O ATOM 201 CB TYR A 15 11.203 -9.729 -2.261 1.00 0.00 C ATOM 202 CG TYR A 15 9.737 -9.372 -2.195 1.00 0.00 C ATOM 203 CD1 TYR A 15 8.812 -10.056 -2.993 1.00 0.00 C ATOM 204 CD2 TYR A 15 9.303 -8.356 -1.335 1.00 0.00 C ATOM 205 CE1 TYR A 15 7.454 -9.726 -2.931 1.00 0.00 C ATOM 206 CE2 TYR A 15 7.943 -8.026 -1.273 1.00 0.00 C ATOM 207 CZ TYR A 15 7.019 -8.711 -2.071 1.00 0.00 C ATOM 208 OH TYR A 15 5.678 -8.385 -2.010 1.00 0.00 O ATOM 0 H TYR A 15 11.542 -9.237 0.135 1.00 0.00 H new ATOM 0 HA TYR A 15 10.843 -11.708 -1.414 1.00 0.00 H new ATOM 0 HB2 TYR A 15 11.812 -8.854 -2.033 1.00 0.00 H new ATOM 0 HB3 TYR A 15 11.466 -10.047 -3.270 1.00 0.00 H new ATOM 0 HD1 TYR A 15 9.147 -10.839 -3.657 1.00 0.00 H new ATOM 0 HD2 TYR A 15 10.016 -7.827 -0.720 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.741 -10.254 -3.547 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.607 -7.243 -0.609 1.00 0.00 H new ATOM 0 HH TYR A 15 5.461 -8.058 -1.112 1.00 0.00 H new ATOM 218 N ARG A 16 13.811 -10.972 -0.532 1.00 0.00 N ATOM 219 CA ARG A 16 15.223 -11.437 -0.633 1.00 0.00 C ATOM 220 C ARG A 16 15.268 -12.965 -0.605 1.00 0.00 C ATOM 221 O ARG A 16 16.173 -13.581 -1.131 1.00 0.00 O ATOM 222 CB ARG A 16 15.924 -10.847 0.590 1.00 0.00 C ATOM 223 CG ARG A 16 16.143 -9.351 0.370 1.00 0.00 C ATOM 224 CD ARG A 16 16.899 -8.758 1.558 1.00 0.00 C ATOM 225 NE ARG A 16 16.732 -7.285 1.410 1.00 0.00 N ATOM 226 CZ ARG A 16 17.690 -6.478 1.775 1.00 0.00 C ATOM 227 NH1 ARG A 16 18.117 -6.487 3.009 1.00 0.00 N ATOM 228 NH2 ARG A 16 18.222 -5.662 0.907 1.00 0.00 N ATOM 0 H ARG A 16 13.609 -10.363 0.261 1.00 0.00 H new ATOM 0 HA ARG A 16 15.703 -11.122 -1.559 1.00 0.00 H new ATOM 0 HB2 ARG A 16 15.322 -11.011 1.484 1.00 0.00 H new ATOM 0 HB3 ARG A 16 16.879 -11.347 0.753 1.00 0.00 H new ATOM 0 HG2 ARG A 16 16.706 -9.188 -0.549 1.00 0.00 H new ATOM 0 HG3 ARG A 16 15.184 -8.848 0.250 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.490 -9.111 2.505 1.00 0.00 H new ATOM 0 HD3 ARG A 16 17.951 -9.042 1.540 1.00 0.00 H new ATOM 0 HE ARG A 16 15.867 -6.907 1.023 1.00 0.00 H new ATOM 0 HH11 ARG A 16 17.702 -7.125 3.688 1.00 0.00 H new ATOM 0 HH12 ARG A 16 18.866 -5.856 3.294 1.00 0.00 H new ATOM 0 HH21 ARG A 16 17.889 -5.655 -0.057 1.00 0.00 H new ATOM 0 HH22 ARG A 16 18.971 -5.031 1.193 1.00 0.00 H new ATOM 242 N LYS A 17 14.285 -13.581 -0.005 1.00 0.00 N ATOM 243 CA LYS A 17 14.258 -15.071 0.043 1.00 0.00 C ATOM 244 C LYS A 17 13.700 -15.614 -1.274 1.00 0.00 C ATOM 245 O LYS A 17 13.497 -16.801 -1.436 1.00 0.00 O ATOM 246 CB LYS A 17 13.325 -15.419 1.205 1.00 0.00 C ATOM 247 CG LYS A 17 13.627 -14.510 2.399 1.00 0.00 C ATOM 248 CD LYS A 17 12.943 -15.069 3.649 1.00 0.00 C ATOM 249 CE LYS A 17 11.440 -14.795 3.574 1.00 0.00 C ATOM 250 NZ LYS A 17 10.809 -16.145 3.516 1.00 0.00 N ATOM 0 H LYS A 17 13.501 -13.117 0.453 1.00 0.00 H new ATOM 0 HA LYS A 17 15.249 -15.503 0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.286 -15.299 0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.455 -16.463 1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.703 -14.446 2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.273 -13.499 2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.125 -16.141 3.727 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.363 -14.608 4.543 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.096 -14.235 4.443 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.189 -14.203 2.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.775 -16.043 3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.151 -16.652 2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.060 -16.683 4.370 1.00 0.00 H new ATOM 264 N LEU A 18 13.447 -14.744 -2.216 1.00 0.00 N ATOM 265 CA LEU A 18 12.898 -15.189 -3.526 1.00 0.00 C ATOM 266 C LEU A 18 13.921 -14.916 -4.632 1.00 0.00 C ATOM 267 O LEU A 18 13.963 -15.596 -5.637 1.00 0.00 O ATOM 268 CB LEU A 18 11.645 -14.337 -3.736 1.00 0.00 C ATOM 269 CG LEU A 18 10.603 -14.668 -2.664 1.00 0.00 C ATOM 270 CD1 LEU A 18 11.034 -14.077 -1.320 1.00 0.00 C ATOM 271 CD2 LEU A 18 9.255 -14.068 -3.067 1.00 0.00 C ATOM 0 H LEU A 18 13.599 -13.739 -2.132 1.00 0.00 H new ATOM 0 HA LEU A 18 12.673 -16.255 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.903 -13.279 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.231 -14.522 -4.727 1.00 0.00 H new ATOM 0 HG LEU A 18 10.515 -15.750 -2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.288 -14.316 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.996 -14.499 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.125 -12.995 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.511 -14.302 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.351 -12.986 -3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.941 -14.488 -4.023 1.00 0.00 H new ATOM 283 N VAL A 19 14.744 -13.918 -4.449 1.00 0.00 N ATOM 284 CA VAL A 19 15.766 -13.590 -5.484 1.00 0.00 C ATOM 285 C VAL A 19 17.170 -13.896 -4.953 1.00 0.00 C ATOM 286 O VAL A 19 17.674 -13.226 -4.075 1.00 0.00 O ATOM 287 CB VAL A 19 15.598 -12.091 -5.743 1.00 0.00 C ATOM 288 CG1 VAL A 19 15.512 -11.340 -4.412 1.00 0.00 C ATOM 289 CG2 VAL A 19 16.794 -11.572 -6.541 1.00 0.00 C ATOM 0 H VAL A 19 14.752 -13.315 -3.626 1.00 0.00 H new ATOM 0 HA VAL A 19 15.639 -14.175 -6.395 1.00 0.00 H new ATOM 0 HB VAL A 19 14.681 -11.927 -6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 19 15.393 -10.274 -4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.657 -11.705 -3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.425 -11.506 -3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 19 16.673 -10.504 -6.725 1.00 0.00 H new ATOM 0 HG22 VAL A 19 17.710 -11.741 -5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.853 -12.100 -7.493 1.00 0.00 H new ATOM 299 N ARG A 20 17.801 -14.911 -5.477 1.00 0.00 N ATOM 300 CA ARG A 20 19.169 -15.265 -4.998 1.00 0.00 C ATOM 301 C ARG A 20 20.232 -14.524 -5.810 1.00 0.00 C ATOM 302 O ARG A 20 20.900 -13.637 -5.315 1.00 0.00 O ATOM 303 CB ARG A 20 19.284 -16.775 -5.214 1.00 0.00 C ATOM 304 CG ARG A 20 18.032 -17.466 -4.671 1.00 0.00 C ATOM 305 CD ARG A 20 17.846 -17.097 -3.198 1.00 0.00 C ATOM 306 NE ARG A 20 16.581 -17.773 -2.792 1.00 0.00 N ATOM 307 CZ ARG A 20 16.620 -18.961 -2.253 1.00 0.00 C ATOM 308 NH1 ARG A 20 17.477 -19.221 -1.304 1.00 0.00 N ATOM 309 NH2 ARG A 20 15.798 -19.889 -2.664 1.00 0.00 N ATOM 0 H ARG A 20 17.430 -15.510 -6.215 1.00 0.00 H new ATOM 0 HA ARG A 20 19.323 -14.987 -3.955 1.00 0.00 H new ATOM 0 HB2 ARG A 20 19.401 -16.993 -6.276 1.00 0.00 H new ATOM 0 HB3 ARG A 20 20.171 -17.158 -4.710 1.00 0.00 H new ATOM 0 HG2 ARG A 20 17.157 -17.163 -5.246 1.00 0.00 H new ATOM 0 HG3 ARG A 20 18.125 -18.547 -4.778 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.688 -17.438 -2.596 1.00 0.00 H new ATOM 0 HD3 ARG A 20 17.777 -16.017 -3.067 1.00 0.00 H new ATOM 0 HE ARG A 20 15.685 -17.307 -2.935 1.00 0.00 H new ATOM 0 HH11 ARG A 20 18.118 -18.495 -0.982 1.00 0.00 H new ATOM 0 HH12 ARG A 20 17.506 -20.150 -0.884 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.127 -19.685 -3.405 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.827 -20.818 -2.244 1.00 0.00 H new ATOM 323 N ASN A 21 20.402 -14.885 -7.049 1.00 0.00 N ATOM 324 CA ASN A 21 21.429 -14.207 -7.890 1.00 0.00 C ATOM 325 C ASN A 21 20.785 -13.591 -9.136 1.00 0.00 C ATOM 326 O ASN A 21 21.299 -13.706 -10.231 1.00 0.00 O ATOM 327 CB ASN A 21 22.407 -15.314 -8.285 1.00 0.00 C ATOM 328 CG ASN A 21 23.054 -15.893 -7.028 1.00 0.00 C ATOM 329 OD1 ASN A 21 23.983 -15.323 -6.490 1.00 0.00 O ATOM 330 ND2 ASN A 21 22.600 -17.012 -6.533 1.00 0.00 N ATOM 0 H ASN A 21 19.874 -15.621 -7.518 1.00 0.00 H new ATOM 0 HA ASN A 21 21.921 -13.393 -7.358 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.884 -16.098 -8.832 1.00 0.00 H new ATOM 0 HB3 ASN A 21 23.173 -14.917 -8.951 1.00 0.00 H new ATOM 0 HD21 ASN A 21 23.025 -17.408 -5.695 1.00 0.00 H new ATOM 0 HD22 ASN A 21 21.820 -17.490 -6.985 1.00 0.00 H new ATOM 337 N GLY A 22 19.669 -12.934 -8.979 1.00 0.00 N ATOM 338 CA GLY A 22 19.003 -12.310 -10.158 1.00 0.00 C ATOM 339 C GLY A 22 17.749 -13.106 -10.525 1.00 0.00 C ATOM 340 O GLY A 22 17.202 -12.958 -11.599 1.00 0.00 O ATOM 0 H GLY A 22 19.190 -12.802 -8.088 1.00 0.00 H new ATOM 0 HA2 GLY A 22 18.737 -11.277 -9.933 1.00 0.00 H new ATOM 0 HA3 GLY A 22 19.690 -12.285 -11.004 1.00 0.00 H new ATOM 344 N LYS A 23 17.288 -13.950 -9.643 1.00 0.00 N ATOM 345 CA LYS A 23 16.068 -14.750 -9.947 1.00 0.00 C ATOM 346 C LYS A 23 15.008 -14.529 -8.865 1.00 0.00 C ATOM 347 O LYS A 23 14.828 -15.343 -7.982 1.00 0.00 O ATOM 348 CB LYS A 23 16.536 -16.206 -9.954 1.00 0.00 C ATOM 349 CG LYS A 23 17.011 -16.599 -8.555 1.00 0.00 C ATOM 350 CD LYS A 23 18.166 -17.595 -8.669 1.00 0.00 C ATOM 351 CE LYS A 23 18.109 -18.579 -7.499 1.00 0.00 C ATOM 352 NZ LYS A 23 17.709 -19.878 -8.112 1.00 0.00 N ATOM 0 H LYS A 23 17.703 -14.120 -8.727 1.00 0.00 H new ATOM 0 HA LYS A 23 15.615 -14.466 -10.897 1.00 0.00 H new ATOM 0 HB2 LYS A 23 15.722 -16.859 -10.269 1.00 0.00 H new ATOM 0 HB3 LYS A 23 17.345 -16.335 -10.673 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.333 -15.714 -8.007 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.190 -17.042 -7.992 1.00 0.00 H new ATOM 0 HD2 LYS A 23 18.104 -18.134 -9.614 1.00 0.00 H new ATOM 0 HD3 LYS A 23 19.119 -17.065 -8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.075 -18.658 -7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.388 -18.258 -6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.648 -20.607 -7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.783 -19.774 -8.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.417 -20.161 -8.819 1.00 0.00 H new ATOM 366 N LEU A 24 14.305 -13.430 -8.928 1.00 0.00 N ATOM 367 CA LEU A 24 13.257 -13.155 -7.904 1.00 0.00 C ATOM 368 C LEU A 24 11.980 -13.935 -8.232 1.00 0.00 C ATOM 369 O LEU A 24 11.433 -13.822 -9.310 1.00 0.00 O ATOM 370 CB LEU A 24 13.002 -11.650 -7.994 1.00 0.00 C ATOM 371 CG LEU A 24 11.927 -11.251 -6.980 1.00 0.00 C ATOM 372 CD1 LEU A 24 12.249 -11.862 -5.617 1.00 0.00 C ATOM 373 CD2 LEU A 24 11.885 -9.727 -6.851 1.00 0.00 C ATOM 0 H LEU A 24 14.411 -12.711 -9.644 1.00 0.00 H new ATOM 0 HA LEU A 24 13.567 -13.458 -6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.924 -11.102 -7.797 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.682 -11.384 -9.002 1.00 0.00 H new ATOM 0 HG LEU A 24 10.959 -11.618 -7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.481 -11.575 -4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.278 -12.948 -5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.219 -11.499 -5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.119 -9.444 -6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 24 12.855 -9.364 -6.512 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.651 -9.286 -7.820 1.00 0.00 H new ATOM 385 N ALA A 25 11.501 -14.725 -7.309 1.00 0.00 N ATOM 386 CA ALA A 25 10.261 -15.508 -7.572 1.00 0.00 C ATOM 387 C ALA A 25 9.028 -14.621 -7.383 1.00 0.00 C ATOM 388 O ALA A 25 8.680 -14.252 -6.278 1.00 0.00 O ATOM 389 CB ALA A 25 10.276 -16.634 -6.538 1.00 0.00 C ATOM 0 H ALA A 25 11.914 -14.861 -6.386 1.00 0.00 H new ATOM 0 HA ALA A 25 10.223 -15.893 -8.591 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.391 -17.258 -6.666 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.171 -17.241 -6.674 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.276 -16.207 -5.535 1.00 0.00 H new ATOM 395 N CYS A 26 8.366 -14.274 -8.452 1.00 0.00 N ATOM 396 CA CYS A 26 7.157 -13.408 -8.335 1.00 0.00 C ATOM 397 C CYS A 26 5.891 -14.267 -8.288 1.00 0.00 C ATOM 398 O CYS A 26 5.837 -15.342 -8.853 1.00 0.00 O ATOM 399 CB CYS A 26 7.171 -12.539 -9.592 1.00 0.00 C ATOM 400 SG CYS A 26 6.853 -10.816 -9.140 1.00 0.00 S ATOM 0 H CYS A 26 8.609 -14.552 -9.403 1.00 0.00 H new ATOM 0 HA CYS A 26 7.165 -12.809 -7.425 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.135 -12.622 -10.094 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.415 -12.887 -10.296 1.00 0.00 H new ATOM 405 N THR A 27 4.871 -13.802 -7.618 1.00 0.00 N ATOM 406 CA THR A 27 3.608 -14.592 -7.536 1.00 0.00 C ATOM 407 C THR A 27 2.492 -13.887 -8.310 1.00 0.00 C ATOM 408 O THR A 27 2.726 -12.929 -9.021 1.00 0.00 O ATOM 409 CB THR A 27 3.273 -14.648 -6.045 1.00 0.00 C ATOM 410 OG1 THR A 27 3.507 -13.374 -5.461 1.00 0.00 O ATOM 411 CG2 THR A 27 4.154 -15.695 -5.359 1.00 0.00 C ATOM 0 H THR A 27 4.857 -12.910 -7.124 1.00 0.00 H new ATOM 0 HA THR A 27 3.714 -15.587 -7.968 1.00 0.00 H new ATOM 0 HB THR A 27 2.225 -14.920 -5.918 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.291 -13.407 -4.506 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.914 -15.733 -4.297 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.974 -16.672 -5.807 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.203 -15.426 -5.484 1.00 0.00 H new ATOM 419 N ARG A 28 1.281 -14.352 -8.179 1.00 0.00 N ATOM 420 CA ARG A 28 0.151 -13.706 -8.908 1.00 0.00 C ATOM 421 C ARG A 28 -0.617 -12.770 -7.972 1.00 0.00 C ATOM 422 O ARG A 28 -1.804 -12.922 -7.764 1.00 0.00 O ATOM 423 CB ARG A 28 -0.742 -14.862 -9.362 1.00 0.00 C ATOM 424 CG ARG A 28 -1.822 -14.330 -10.306 1.00 0.00 C ATOM 425 CD ARG A 28 -2.799 -15.456 -10.650 1.00 0.00 C ATOM 426 NE ARG A 28 -2.048 -16.342 -11.582 1.00 0.00 N ATOM 427 CZ ARG A 28 -2.550 -16.634 -12.751 1.00 0.00 C ATOM 428 NH1 ARG A 28 -2.942 -15.681 -13.550 1.00 0.00 N ATOM 429 NH2 ARG A 28 -2.660 -17.881 -13.120 1.00 0.00 N ATOM 0 H ARG A 28 1.024 -15.151 -7.599 1.00 0.00 H new ATOM 0 HA ARG A 28 0.494 -13.102 -9.748 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.144 -15.621 -9.867 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.203 -15.341 -8.498 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.355 -13.503 -9.837 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.365 -13.940 -11.216 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.110 -15.996 -9.756 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.703 -15.066 -11.118 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.142 -16.721 -11.307 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.856 -14.706 -13.262 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.334 -15.910 -14.463 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.354 -18.627 -12.495 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.052 -18.110 -14.033 1.00 0.00 H new ATOM 443 N GLU A 29 0.052 -11.804 -7.405 1.00 0.00 N ATOM 444 CA GLU A 29 -0.640 -10.859 -6.481 1.00 0.00 C ATOM 445 C GLU A 29 -1.254 -9.701 -7.272 1.00 0.00 C ATOM 446 O GLU A 29 -0.634 -9.140 -8.153 1.00 0.00 O ATOM 447 CB GLU A 29 0.455 -10.348 -5.544 1.00 0.00 C ATOM 448 CG GLU A 29 -0.158 -9.401 -4.511 1.00 0.00 C ATOM 449 CD GLU A 29 0.957 -8.756 -3.686 1.00 0.00 C ATOM 450 OE1 GLU A 29 2.111 -8.996 -3.997 1.00 0.00 O ATOM 451 OE2 GLU A 29 0.637 -8.033 -2.757 1.00 0.00 O ATOM 0 H GLU A 29 1.047 -11.628 -7.541 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.453 -11.336 -5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.939 -11.186 -5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.225 -9.830 -6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.747 -8.632 -5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.838 -9.948 -3.858 1.00 0.00 H new ATOM 458 N ASN A 30 -2.470 -9.340 -6.965 1.00 0.00 N ATOM 459 CA ASN A 30 -3.123 -8.218 -7.700 1.00 0.00 C ATOM 460 C ASN A 30 -2.951 -6.908 -6.928 1.00 0.00 C ATOM 461 O ASN A 30 -3.912 -6.267 -6.551 1.00 0.00 O ATOM 462 CB ASN A 30 -4.600 -8.605 -7.781 1.00 0.00 C ATOM 463 CG ASN A 30 -4.759 -9.829 -8.684 1.00 0.00 C ATOM 464 OD1 ASN A 30 -4.389 -9.796 -9.842 1.00 0.00 O ATOM 465 ND2 ASN A 30 -5.297 -10.915 -8.202 1.00 0.00 N ATOM 0 H ASN A 30 -3.040 -9.773 -6.238 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.688 -8.062 -8.687 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.985 -8.823 -6.785 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.184 -7.772 -8.173 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.407 -11.737 -8.796 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.607 -10.943 -7.231 1.00 0.00 H new ATOM 472 N ASP A 31 -1.733 -6.504 -6.691 1.00 0.00 N ATOM 473 CA ASP A 31 -1.499 -5.233 -5.945 1.00 0.00 C ATOM 474 C ASP A 31 -0.519 -4.341 -6.717 1.00 0.00 C ATOM 475 O ASP A 31 0.611 -4.169 -6.306 1.00 0.00 O ATOM 476 CB ASP A 31 -0.895 -5.665 -4.608 1.00 0.00 C ATOM 477 CG ASP A 31 -2.015 -6.093 -3.657 1.00 0.00 C ATOM 478 OD1 ASP A 31 -2.389 -7.253 -3.699 1.00 0.00 O ATOM 479 OD2 ASP A 31 -2.478 -5.254 -2.903 1.00 0.00 O ATOM 0 H ASP A 31 -0.889 -6.998 -6.981 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.414 -4.656 -5.810 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.198 -6.489 -4.761 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.326 -4.844 -4.171 1.00 0.00 H new ATOM 484 N PRO A 32 -0.983 -3.801 -7.818 1.00 0.00 N ATOM 485 CA PRO A 32 -0.135 -2.922 -8.656 1.00 0.00 C ATOM 486 C PRO A 32 0.267 -1.664 -7.882 1.00 0.00 C ATOM 487 O PRO A 32 -0.520 -1.088 -7.157 1.00 0.00 O ATOM 488 CB PRO A 32 -1.060 -2.574 -9.824 1.00 0.00 C ATOM 489 CG PRO A 32 -2.417 -3.272 -9.607 1.00 0.00 C ATOM 490 CD PRO A 32 -2.369 -4.043 -8.282 1.00 0.00 C ATOM 0 HA PRO A 32 0.799 -3.388 -8.971 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.197 -1.495 -9.889 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.616 -2.896 -10.766 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.221 -2.536 -9.587 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.628 -3.952 -10.432 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.106 -3.671 -7.570 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.570 -5.105 -8.423 1.00 0.00 H new ATOM 498 N ILE A 33 1.486 -1.232 -8.039 1.00 0.00 N ATOM 499 CA ILE A 33 1.946 -0.007 -7.320 1.00 0.00 C ATOM 500 C ILE A 33 2.978 0.743 -8.166 1.00 0.00 C ATOM 501 O ILE A 33 3.122 0.504 -9.349 1.00 0.00 O ATOM 502 CB ILE A 33 2.570 -0.504 -6.006 1.00 0.00 C ATOM 503 CG1 ILE A 33 4.003 -0.986 -6.254 1.00 0.00 C ATOM 504 CG2 ILE A 33 1.738 -1.657 -5.441 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.000 -2.065 -7.336 1.00 0.00 C ATOM 0 H ILE A 33 2.187 -1.673 -8.635 1.00 0.00 H new ATOM 0 HA ILE A 33 1.127 0.687 -7.130 1.00 0.00 H new ATOM 0 HB ILE A 33 2.586 0.319 -5.291 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.631 -0.150 -6.562 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.429 -1.382 -5.332 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.184 -2.006 -4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.722 -1.313 -5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.714 -2.475 -6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.020 -2.407 -7.512 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.386 -2.905 -7.010 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.591 -1.654 -8.259 1.00 0.00 H new ATOM 517 N GLN A 34 3.696 1.648 -7.566 1.00 0.00 N ATOM 518 CA GLN A 34 4.722 2.418 -8.327 1.00 0.00 C ATOM 519 C GLN A 34 6.111 2.185 -7.728 1.00 0.00 C ATOM 520 O GLN A 34 6.259 1.972 -6.541 1.00 0.00 O ATOM 521 CB GLN A 34 4.310 3.883 -8.174 1.00 0.00 C ATOM 522 CG GLN A 34 2.911 4.083 -8.761 1.00 0.00 C ATOM 523 CD GLN A 34 2.477 5.536 -8.559 1.00 0.00 C ATOM 524 OE1 GLN A 34 3.048 6.247 -7.756 1.00 0.00 O ATOM 525 NE2 GLN A 34 1.482 6.010 -9.259 1.00 0.00 N ATOM 0 H GLN A 34 3.618 1.890 -6.578 1.00 0.00 H new ATOM 0 HA GLN A 34 4.774 2.116 -9.373 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.318 4.166 -7.121 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.026 4.528 -8.684 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.912 3.837 -9.823 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.203 3.410 -8.278 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.003 5.413 -9.933 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.184 6.977 -9.132 1.00 0.00 H new ATOM 534 N GLY A 35 7.131 2.227 -8.542 1.00 0.00 N ATOM 535 CA GLY A 35 8.510 2.009 -8.019 1.00 0.00 C ATOM 536 C GLY A 35 9.169 3.362 -7.731 1.00 0.00 C ATOM 537 O GLY A 35 8.624 4.395 -8.062 1.00 0.00 O ATOM 0 H GLY A 35 7.069 2.403 -9.545 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.475 1.409 -7.110 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.102 1.452 -8.745 1.00 0.00 H new ATOM 541 N PRO A 36 10.327 3.313 -7.118 1.00 0.00 N ATOM 542 CA PRO A 36 11.066 4.553 -6.783 1.00 0.00 C ATOM 543 C PRO A 36 11.430 5.326 -8.054 1.00 0.00 C ATOM 544 O PRO A 36 11.718 6.506 -8.013 1.00 0.00 O ATOM 545 CB PRO A 36 12.322 4.019 -6.088 1.00 0.00 C ATOM 546 CG PRO A 36 12.254 2.479 -6.053 1.00 0.00 C ATOM 547 CD PRO A 36 10.955 2.027 -6.731 1.00 0.00 C ATOM 0 HA PRO A 36 10.495 5.248 -6.168 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.215 4.345 -6.620 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.391 4.417 -5.076 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.116 2.051 -6.565 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.286 2.123 -5.023 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.149 1.394 -7.597 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.322 1.455 -6.053 1.00 0.00 H new ATOM 555 N ASP A 37 11.420 4.671 -9.183 1.00 0.00 N ATOM 556 CA ASP A 37 11.767 5.370 -10.454 1.00 0.00 C ATOM 557 C ASP A 37 10.513 5.975 -11.086 1.00 0.00 C ATOM 558 O ASP A 37 10.496 6.316 -12.252 1.00 0.00 O ATOM 559 CB ASP A 37 12.355 4.285 -11.357 1.00 0.00 C ATOM 560 CG ASP A 37 13.672 3.783 -10.761 1.00 0.00 C ATOM 561 OD1 ASP A 37 14.195 4.449 -9.883 1.00 0.00 O ATOM 562 OD2 ASP A 37 14.135 2.740 -11.193 1.00 0.00 O ATOM 0 H ASP A 37 11.187 3.683 -9.281 1.00 0.00 H new ATOM 0 HA ASP A 37 12.467 6.190 -10.295 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.651 3.459 -11.457 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.525 4.682 -12.358 1.00 0.00 H new ATOM 567 N GLY A 38 9.465 6.112 -10.325 1.00 0.00 N ATOM 568 CA GLY A 38 8.214 6.698 -10.879 1.00 0.00 C ATOM 569 C GLY A 38 7.582 5.717 -11.870 1.00 0.00 C ATOM 570 O GLY A 38 6.639 6.042 -12.563 1.00 0.00 O ATOM 0 H GLY A 38 9.420 5.843 -9.342 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.515 6.917 -10.072 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.432 7.643 -11.376 1.00 0.00 H new ATOM 574 N LYS A 39 8.096 4.519 -11.946 1.00 0.00 N ATOM 575 CA LYS A 39 7.522 3.522 -12.894 1.00 0.00 C ATOM 576 C LYS A 39 6.494 2.641 -12.178 1.00 0.00 C ATOM 577 O LYS A 39 6.437 2.598 -10.965 1.00 0.00 O ATOM 578 CB LYS A 39 8.715 2.685 -13.358 1.00 0.00 C ATOM 579 CG LYS A 39 9.669 3.564 -14.170 1.00 0.00 C ATOM 580 CD LYS A 39 10.758 2.691 -14.797 1.00 0.00 C ATOM 581 CE LYS A 39 11.831 3.584 -15.422 1.00 0.00 C ATOM 582 NZ LYS A 39 11.371 3.808 -16.822 1.00 0.00 N ATOM 0 H LYS A 39 8.887 4.188 -11.394 1.00 0.00 H new ATOM 0 HA LYS A 39 7.006 3.996 -13.729 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.235 2.264 -12.497 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.371 1.847 -13.964 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.119 4.093 -14.948 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.119 4.320 -13.527 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.203 2.046 -14.039 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.325 2.040 -15.556 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.926 4.526 -14.881 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.809 3.103 -15.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.055 4.413 -17.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.296 2.894 -17.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.441 4.273 -16.812 1.00 0.00 H new ATOM 596 N VAL A 40 5.681 1.939 -12.918 1.00 0.00 N ATOM 597 CA VAL A 40 4.658 1.061 -12.278 1.00 0.00 C ATOM 598 C VAL A 40 4.994 -0.411 -12.526 1.00 0.00 C ATOM 599 O VAL A 40 5.585 -0.762 -13.529 1.00 0.00 O ATOM 600 CB VAL A 40 3.337 1.432 -12.956 1.00 0.00 C ATOM 601 CG1 VAL A 40 2.187 0.688 -12.275 1.00 0.00 C ATOM 602 CG2 VAL A 40 3.110 2.941 -12.838 1.00 0.00 C ATOM 0 H VAL A 40 5.680 1.934 -13.938 1.00 0.00 H new ATOM 0 HA VAL A 40 4.614 1.198 -11.198 1.00 0.00 H new ATOM 0 HB VAL A 40 3.377 1.152 -14.009 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.246 0.952 -12.758 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.349 -0.387 -12.359 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.146 0.968 -11.222 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.169 3.206 -13.321 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.070 3.222 -11.786 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.929 3.471 -13.324 1.00 0.00 H new ATOM 612 N HIS A 41 4.624 -1.275 -11.621 1.00 0.00 N ATOM 613 CA HIS A 41 4.926 -2.724 -11.806 1.00 0.00 C ATOM 614 C HIS A 41 3.683 -3.566 -11.500 1.00 0.00 C ATOM 615 O HIS A 41 2.711 -3.081 -10.955 1.00 0.00 O ATOM 616 CB HIS A 41 6.039 -3.029 -10.803 1.00 0.00 C ATOM 617 CG HIS A 41 7.113 -1.981 -10.915 1.00 0.00 C ATOM 618 ND1 HIS A 41 8.156 -2.084 -11.822 1.00 0.00 N ATOM 619 CD2 HIS A 41 7.318 -0.803 -10.241 1.00 0.00 C ATOM 620 CE1 HIS A 41 8.935 -0.997 -11.670 1.00 0.00 C ATOM 621 NE2 HIS A 41 8.469 -0.183 -10.720 1.00 0.00 N ATOM 0 H HIS A 41 4.126 -1.041 -10.762 1.00 0.00 H new ATOM 0 HA HIS A 41 5.224 -2.956 -12.828 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.636 -3.046 -9.790 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.458 -4.017 -10.996 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.306 -2.845 -12.484 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.683 -0.416 -9.458 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.828 -0.806 -12.246 1.00 0.00 H new ATOM 629 N GLY A 42 3.708 -4.824 -11.847 1.00 0.00 N ATOM 630 CA GLY A 42 2.529 -5.695 -11.576 1.00 0.00 C ATOM 631 C GLY A 42 2.219 -5.683 -10.077 1.00 0.00 C ATOM 632 O GLY A 42 1.107 -5.417 -9.667 1.00 0.00 O ATOM 0 H GLY A 42 4.493 -5.286 -12.306 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.665 -5.342 -12.140 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.732 -6.713 -11.908 1.00 0.00 H new ATOM 636 N ASN A 43 3.193 -5.969 -9.258 1.00 0.00 N ATOM 637 CA ASN A 43 2.951 -5.973 -7.786 1.00 0.00 C ATOM 638 C ASN A 43 4.227 -5.584 -7.037 1.00 0.00 C ATOM 639 O ASN A 43 5.188 -5.122 -7.621 1.00 0.00 O ATOM 640 CB ASN A 43 2.553 -7.410 -7.451 1.00 0.00 C ATOM 641 CG ASN A 43 3.596 -8.377 -8.016 1.00 0.00 C ATOM 642 OD1 ASN A 43 4.464 -7.981 -8.770 1.00 0.00 O ATOM 643 ND2 ASN A 43 3.547 -9.637 -7.682 1.00 0.00 N ATOM 0 H ASN A 43 4.145 -6.200 -9.543 1.00 0.00 H new ATOM 0 HA ASN A 43 2.181 -5.258 -7.495 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.475 -7.534 -6.371 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.571 -7.633 -7.869 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.237 -10.290 -8.053 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.819 -9.969 -7.050 1.00 0.00 H new ATOM 650 N THR A 44 4.242 -5.769 -5.747 1.00 0.00 N ATOM 651 CA THR A 44 5.453 -5.411 -4.954 1.00 0.00 C ATOM 652 C THR A 44 6.683 -6.127 -5.515 1.00 0.00 C ATOM 653 O THR A 44 7.673 -5.509 -5.853 1.00 0.00 O ATOM 654 CB THR A 44 5.153 -5.889 -3.533 1.00 0.00 C ATOM 655 OG1 THR A 44 4.106 -5.101 -2.982 1.00 0.00 O ATOM 656 CG2 THR A 44 6.408 -5.749 -2.671 1.00 0.00 C ATOM 0 H THR A 44 3.467 -6.153 -5.206 1.00 0.00 H new ATOM 0 HA THR A 44 5.667 -4.343 -4.986 1.00 0.00 H new ATOM 0 HB THR A 44 4.847 -6.935 -3.557 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.911 -5.407 -2.072 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.194 -6.090 -1.658 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.210 -6.353 -3.095 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.716 -4.704 -2.644 1.00 0.00 H new ATOM 664 N CYS A 45 6.627 -7.424 -5.616 1.00 0.00 N ATOM 665 CA CYS A 45 7.795 -8.175 -6.157 1.00 0.00 C ATOM 666 C CYS A 45 8.282 -7.507 -7.446 1.00 0.00 C ATOM 667 O CYS A 45 9.407 -7.060 -7.528 1.00 0.00 O ATOM 668 CB CYS A 45 7.276 -9.596 -6.403 1.00 0.00 C ATOM 669 SG CYS A 45 8.226 -10.413 -7.714 1.00 0.00 S ATOM 0 H CYS A 45 5.826 -7.997 -5.349 1.00 0.00 H new ATOM 0 HA CYS A 45 8.648 -8.189 -5.479 1.00 0.00 H new ATOM 0 HB2 CYS A 45 7.344 -10.177 -5.483 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.222 -9.560 -6.680 1.00 0.00 H new ATOM 674 N SER A 46 7.447 -7.418 -8.447 1.00 0.00 N ATOM 675 CA SER A 46 7.888 -6.756 -9.709 1.00 0.00 C ATOM 676 C SER A 46 8.603 -5.451 -9.356 1.00 0.00 C ATOM 677 O SER A 46 9.555 -5.055 -9.997 1.00 0.00 O ATOM 678 CB SER A 46 6.604 -6.480 -10.491 1.00 0.00 C ATOM 679 OG SER A 46 5.890 -7.693 -10.672 1.00 0.00 O ATOM 0 H SER A 46 6.490 -7.770 -8.447 1.00 0.00 H new ATOM 0 HA SER A 46 8.578 -7.365 -10.293 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.987 -5.759 -9.955 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.843 -6.038 -11.458 1.00 0.00 H new ATOM 0 HG SER A 46 5.137 -7.726 -10.046 1.00 0.00 H new ATOM 685 N MET A 47 8.160 -4.799 -8.318 1.00 0.00 N ATOM 686 CA MET A 47 8.820 -3.536 -7.888 1.00 0.00 C ATOM 687 C MET A 47 10.089 -3.889 -7.117 1.00 0.00 C ATOM 688 O MET A 47 11.077 -3.183 -7.149 1.00 0.00 O ATOM 689 CB MET A 47 7.811 -2.861 -6.963 1.00 0.00 C ATOM 690 CG MET A 47 8.046 -1.351 -6.963 1.00 0.00 C ATOM 691 SD MET A 47 6.942 -0.569 -5.760 1.00 0.00 S ATOM 692 CE MET A 47 7.734 -1.217 -4.267 1.00 0.00 C ATOM 0 H MET A 47 7.366 -5.088 -7.747 1.00 0.00 H new ATOM 0 HA MET A 47 9.097 -2.890 -8.721 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.796 -3.081 -7.293 1.00 0.00 H new ATOM 0 HB3 MET A 47 7.910 -3.255 -5.951 1.00 0.00 H new ATOM 0 HG2 MET A 47 9.085 -1.134 -6.714 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.865 -0.944 -7.958 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.620 -0.500 -3.454 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.266 -2.161 -3.987 1.00 0.00 H new ATOM 0 HE3 MET A 47 8.794 -1.381 -4.460 1.00 0.00 H new ATOM 702 N CYS A 48 10.051 -4.991 -6.426 1.00 0.00 N ATOM 703 CA CYS A 48 11.233 -5.434 -5.638 1.00 0.00 C ATOM 704 C CYS A 48 12.262 -6.096 -6.563 1.00 0.00 C ATOM 705 O CYS A 48 13.448 -6.080 -6.298 1.00 0.00 O ATOM 706 CB CYS A 48 10.664 -6.437 -4.630 1.00 0.00 C ATOM 707 SG CYS A 48 10.159 -5.567 -3.121 1.00 0.00 S ATOM 0 H CYS A 48 9.243 -5.611 -6.373 1.00 0.00 H new ATOM 0 HA CYS A 48 11.749 -4.611 -5.143 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.811 -6.959 -5.063 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.413 -7.193 -4.392 1.00 0.00 H new ATOM 712 N GLU A 49 11.820 -6.667 -7.652 1.00 0.00 N ATOM 713 CA GLU A 49 12.775 -7.314 -8.596 1.00 0.00 C ATOM 714 C GLU A 49 13.643 -6.242 -9.267 1.00 0.00 C ATOM 715 O GLU A 49 14.853 -6.345 -9.304 1.00 0.00 O ATOM 716 CB GLU A 49 11.889 -8.065 -9.611 1.00 0.00 C ATOM 717 CG GLU A 49 11.663 -7.228 -10.877 1.00 0.00 C ATOM 718 CD GLU A 49 10.989 -8.093 -11.943 1.00 0.00 C ATOM 719 OE1 GLU A 49 11.568 -9.099 -12.315 1.00 0.00 O ATOM 720 OE2 GLU A 49 9.904 -7.734 -12.370 1.00 0.00 O ATOM 0 H GLU A 49 10.839 -6.713 -7.928 1.00 0.00 H new ATOM 0 HA GLU A 49 13.465 -8.000 -8.105 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.359 -9.012 -9.877 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.929 -8.303 -9.153 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.041 -6.363 -10.648 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.614 -6.847 -11.249 1.00 0.00 H new ATOM 727 N VAL A 50 13.036 -5.207 -9.784 1.00 0.00 N ATOM 728 CA VAL A 50 13.838 -4.131 -10.432 1.00 0.00 C ATOM 729 C VAL A 50 14.867 -3.610 -9.434 1.00 0.00 C ATOM 730 O VAL A 50 16.004 -3.348 -9.772 1.00 0.00 O ATOM 731 CB VAL A 50 12.837 -3.032 -10.797 1.00 0.00 C ATOM 732 CG1 VAL A 50 12.044 -2.624 -9.554 1.00 0.00 C ATOM 733 CG2 VAL A 50 13.598 -1.817 -11.331 1.00 0.00 C ATOM 0 H VAL A 50 12.026 -5.061 -9.786 1.00 0.00 H new ATOM 0 HA VAL A 50 14.374 -4.481 -11.314 1.00 0.00 H new ATOM 0 HB VAL A 50 12.151 -3.404 -11.558 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.332 -1.841 -9.817 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.506 -3.489 -9.166 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.728 -2.251 -8.792 1.00 0.00 H new ATOM 0 HG21 VAL A 50 12.890 -1.031 -11.593 1.00 0.00 H new ATOM 0 HG22 VAL A 50 14.281 -1.450 -10.565 1.00 0.00 H new ATOM 0 HG23 VAL A 50 14.166 -2.104 -12.216 1.00 0.00 H new ATOM 743 N PHE A 51 14.476 -3.480 -8.196 1.00 0.00 N ATOM 744 CA PHE A 51 15.432 -3.000 -7.162 1.00 0.00 C ATOM 745 C PHE A 51 16.508 -4.062 -6.954 1.00 0.00 C ATOM 746 O PHE A 51 17.689 -3.774 -6.910 1.00 0.00 O ATOM 747 CB PHE A 51 14.594 -2.823 -5.897 1.00 0.00 C ATOM 748 CG PHE A 51 15.508 -2.649 -4.709 1.00 0.00 C ATOM 749 CD1 PHE A 51 16.508 -1.672 -4.736 1.00 0.00 C ATOM 750 CD2 PHE A 51 15.351 -3.462 -3.580 1.00 0.00 C ATOM 751 CE1 PHE A 51 17.355 -1.507 -3.633 1.00 0.00 C ATOM 752 CE2 PHE A 51 16.198 -3.297 -2.477 1.00 0.00 C ATOM 753 CZ PHE A 51 17.199 -2.319 -2.504 1.00 0.00 C ATOM 0 H PHE A 51 13.536 -3.686 -7.857 1.00 0.00 H new ATOM 0 HA PHE A 51 15.932 -2.072 -7.439 1.00 0.00 H new ATOM 0 HB2 PHE A 51 13.942 -1.955 -5.998 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.950 -3.690 -5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 51 16.627 -1.045 -5.607 1.00 0.00 H new ATOM 0 HD2 PHE A 51 14.578 -4.216 -3.560 1.00 0.00 H new ATOM 0 HE1 PHE A 51 18.128 -0.753 -3.654 1.00 0.00 H new ATOM 0 HE2 PHE A 51 16.079 -3.924 -1.606 1.00 0.00 H new ATOM 0 HZ PHE A 51 17.851 -2.191 -1.653 1.00 0.00 H new ATOM 763 N PHE A 52 16.100 -5.293 -6.846 1.00 0.00 N ATOM 764 CA PHE A 52 17.079 -6.398 -6.663 1.00 0.00 C ATOM 765 C PHE A 52 18.048 -6.417 -7.844 1.00 0.00 C ATOM 766 O PHE A 52 19.230 -6.652 -7.694 1.00 0.00 O ATOM 767 CB PHE A 52 16.226 -7.665 -6.640 1.00 0.00 C ATOM 768 CG PHE A 52 15.857 -7.991 -5.215 1.00 0.00 C ATOM 769 CD1 PHE A 52 16.847 -8.024 -4.227 1.00 0.00 C ATOM 770 CD2 PHE A 52 14.524 -8.255 -4.881 1.00 0.00 C ATOM 771 CE1 PHE A 52 16.505 -8.323 -2.904 1.00 0.00 C ATOM 772 CE2 PHE A 52 14.182 -8.555 -3.558 1.00 0.00 C ATOM 773 CZ PHE A 52 15.172 -8.589 -2.570 1.00 0.00 C ATOM 0 H PHE A 52 15.123 -5.584 -6.877 1.00 0.00 H new ATOM 0 HA PHE A 52 17.677 -6.296 -5.758 1.00 0.00 H new ATOM 0 HB2 PHE A 52 15.326 -7.522 -7.237 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.775 -8.495 -7.085 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.875 -7.819 -4.486 1.00 0.00 H new ATOM 0 HD2 PHE A 52 13.760 -8.227 -5.644 1.00 0.00 H new ATOM 0 HE1 PHE A 52 17.269 -8.349 -2.141 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.154 -8.760 -3.299 1.00 0.00 H new ATOM 0 HZ PHE A 52 14.907 -8.821 -1.549 1.00 0.00 H new ATOM 783 N GLN A 53 17.547 -6.157 -9.020 1.00 0.00 N ATOM 784 CA GLN A 53 18.424 -6.142 -10.222 1.00 0.00 C ATOM 785 C GLN A 53 19.435 -5.000 -10.106 1.00 0.00 C ATOM 786 O GLN A 53 20.619 -5.179 -10.310 1.00 0.00 O ATOM 787 CB GLN A 53 17.470 -5.896 -11.390 1.00 0.00 C ATOM 788 CG GLN A 53 18.145 -6.301 -12.702 1.00 0.00 C ATOM 789 CD GLN A 53 17.440 -5.612 -13.873 1.00 0.00 C ATOM 790 OE1 GLN A 53 18.001 -5.486 -14.943 1.00 0.00 O ATOM 791 NE2 GLN A 53 16.225 -5.159 -13.716 1.00 0.00 N ATOM 0 H GLN A 53 16.564 -5.954 -9.200 1.00 0.00 H new ATOM 0 HA GLN A 53 18.992 -7.064 -10.345 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.553 -6.468 -11.250 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.187 -4.844 -11.425 1.00 0.00 H new ATOM 0 HG2 GLN A 53 19.198 -6.022 -12.683 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.104 -7.383 -12.825 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.753 -5.265 -12.818 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.748 -4.700 -14.492 1.00 0.00 H new ATOM 800 N ALA A 54 18.970 -3.828 -9.774 1.00 0.00 N ATOM 801 CA ALA A 54 19.895 -2.667 -9.636 1.00 0.00 C ATOM 802 C ALA A 54 20.637 -2.741 -8.299 1.00 0.00 C ATOM 803 O ALA A 54 21.691 -2.161 -8.131 1.00 0.00 O ATOM 804 CB ALA A 54 18.992 -1.434 -9.680 1.00 0.00 C ATOM 0 H ALA A 54 17.988 -3.623 -9.592 1.00 0.00 H new ATOM 0 HA ALA A 54 20.652 -2.645 -10.420 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.600 -0.534 -9.584 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.455 -1.410 -10.628 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.276 -1.478 -8.859 1.00 0.00 H new ATOM 810 N GLU A 55 20.096 -3.453 -7.346 1.00 0.00 N ATOM 811 CA GLU A 55 20.775 -3.562 -6.023 1.00 0.00 C ATOM 812 C GLU A 55 22.260 -3.872 -6.219 1.00 0.00 C ATOM 813 O GLU A 55 23.095 -3.483 -5.428 1.00 0.00 O ATOM 814 CB GLU A 55 20.072 -4.718 -5.311 1.00 0.00 C ATOM 815 CG GLU A 55 20.488 -4.739 -3.839 1.00 0.00 C ATOM 816 CD GLU A 55 20.063 -6.066 -3.208 1.00 0.00 C ATOM 817 OE1 GLU A 55 19.791 -6.993 -3.954 1.00 0.00 O ATOM 818 OE2 GLU A 55 20.019 -6.134 -1.991 1.00 0.00 O ATOM 0 H GLU A 55 19.216 -3.962 -7.427 1.00 0.00 H new ATOM 0 HA GLU A 55 20.717 -2.637 -5.449 1.00 0.00 H new ATOM 0 HB2 GLU A 55 18.991 -4.606 -5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.331 -5.664 -5.787 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.567 -4.612 -3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 55 20.026 -3.907 -3.308 1.00 0.00 H new ATOM 825 N GLU A 56 22.592 -4.567 -7.270 1.00 0.00 N ATOM 826 CA GLU A 56 24.024 -4.901 -7.521 1.00 0.00 C ATOM 827 C GLU A 56 24.812 -3.628 -7.841 1.00 0.00 C ATOM 828 O GLU A 56 25.982 -3.517 -7.534 1.00 0.00 O ATOM 829 CB GLU A 56 24.007 -5.839 -8.729 1.00 0.00 C ATOM 830 CG GLU A 56 23.246 -7.117 -8.372 1.00 0.00 C ATOM 831 CD GLU A 56 23.265 -8.072 -9.568 1.00 0.00 C ATOM 832 OE1 GLU A 56 23.648 -7.637 -10.642 1.00 0.00 O ATOM 833 OE2 GLU A 56 22.897 -9.221 -9.389 1.00 0.00 O ATOM 0 H GLU A 56 21.935 -4.919 -7.967 1.00 0.00 H new ATOM 0 HA GLU A 56 24.500 -5.362 -6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 56 23.534 -5.347 -9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 56 25.026 -6.082 -9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 56 23.702 -7.594 -7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 56 22.218 -6.877 -8.101 1.00 0.00 H new