USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 370 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ 142:sc=-0.00443 (180deg=-0.258) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -130:sc= -0.734 USER MOD Single : A 24 ASN : amide:sc= -6.76! C(o=-6.8!,f=-19!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 21:sc= 1.01 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 177:sc= -0.939 (180deg=-0.947) USER MOD Single : A 43 ASN : amide:sc= -1.75 K(o=-1.7,f=-3.3!) USER MOD Single : A 44 ASN : amide:sc= -1.05 K(o=-1.1,f=-5.3!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.422 USER MOD Single : A 54 THR OG1 : rot 77:sc= 0.0613 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -8.484 -12.736 0.046 1.00 0.00 N ATOM 2 CA ARG A 1 -7.894 -11.382 0.217 1.00 0.00 C ATOM 3 C ARG A 1 -8.720 -10.539 1.186 1.00 0.00 C ATOM 4 O ARG A 1 -9.948 -10.629 1.205 1.00 0.00 O ATOM 5 CB ARG A 1 -7.828 -10.703 -1.152 1.00 0.00 C ATOM 6 CG ARG A 1 -9.192 -10.458 -1.779 1.00 0.00 C ATOM 7 CD ARG A 1 -9.274 -11.023 -3.189 1.00 0.00 C ATOM 8 NE ARG A 1 -9.257 -9.972 -4.204 1.00 0.00 N ATOM 9 CZ ARG A 1 -8.144 -9.434 -4.702 1.00 0.00 C ATOM 10 NH1 ARG A 1 -6.953 -9.842 -4.283 1.00 0.00 N ATOM 11 NH2 ARG A 1 -8.224 -8.483 -5.622 1.00 0.00 N ATOM 0 H1 ARG A 1 -8.388 -13.034 -0.946 1.00 0.00 H new ATOM 0 H2 ARG A 1 -7.986 -13.412 0.660 1.00 0.00 H new ATOM 0 H3 ARG A 1 -9.491 -12.711 0.304 1.00 0.00 H new ATOM 0 HA ARG A 1 -6.893 -11.477 0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -7.308 -9.750 -1.051 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -7.234 -11.320 -1.826 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -9.964 -10.914 -1.159 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -9.394 -9.387 -1.804 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -8.438 -11.702 -3.356 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -10.186 -11.610 -3.291 1.00 0.00 H new ATOM 0 HE ARG A 1 -10.152 -9.629 -4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -6.884 -10.573 -3.575 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -6.106 -9.425 -4.669 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -9.136 -8.164 -5.948 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -7.373 -8.070 -6.004 1.00 0.00 H new ATOM 27 N PRO A 2 -8.057 -9.707 2.011 1.00 0.00 N ATOM 28 CA PRO A 2 -8.747 -8.853 2.980 1.00 0.00 C ATOM 29 C PRO A 2 -9.622 -7.802 2.295 1.00 0.00 C ATOM 30 O PRO A 2 -9.189 -7.130 1.359 1.00 0.00 O ATOM 31 CB PRO A 2 -7.615 -8.187 3.774 1.00 0.00 C ATOM 32 CG PRO A 2 -6.369 -8.933 3.422 1.00 0.00 C ATOM 33 CD PRO A 2 -6.596 -9.537 2.065 1.00 0.00 C ATOM 0 HA PRO A 2 -9.426 -9.426 3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.525 -7.132 3.514 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.809 -8.236 4.845 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.508 -8.264 3.409 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.160 -9.707 4.160 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -6.237 -8.885 1.269 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -6.076 -10.489 1.956 1.00 0.00 H new ATOM 41 N ASP A 3 -10.862 -7.685 2.757 1.00 0.00 N ATOM 42 CA ASP A 3 -11.822 -6.740 2.187 1.00 0.00 C ATOM 43 C ASP A 3 -11.237 -5.337 2.016 1.00 0.00 C ATOM 44 O ASP A 3 -11.272 -4.774 0.924 1.00 0.00 O ATOM 45 CB ASP A 3 -13.072 -6.669 3.068 1.00 0.00 C ATOM 46 CG ASP A 3 -14.240 -7.436 2.477 1.00 0.00 C ATOM 47 OD1 ASP A 3 -14.609 -7.155 1.318 1.00 0.00 O ATOM 48 OD2 ASP A 3 -14.785 -8.319 3.174 1.00 0.00 O ATOM 0 H ASP A 3 -11.231 -8.237 3.531 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.080 -7.109 1.195 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.841 -7.069 4.055 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.358 -5.626 3.205 1.00 0.00 H new ATOM 53 N PHE A 4 -10.732 -4.766 3.104 1.00 0.00 N ATOM 54 CA PHE A 4 -10.179 -3.411 3.070 1.00 0.00 C ATOM 55 C PHE A 4 -9.160 -3.224 1.947 1.00 0.00 C ATOM 56 O PHE A 4 -8.987 -2.116 1.440 1.00 0.00 O ATOM 57 CB PHE A 4 -9.539 -3.046 4.411 1.00 0.00 C ATOM 58 CG PHE A 4 -8.610 -4.086 4.970 1.00 0.00 C ATOM 59 CD1 PHE A 4 -9.102 -5.176 5.668 1.00 0.00 C ATOM 60 CD2 PHE A 4 -7.241 -3.963 4.806 1.00 0.00 C ATOM 61 CE1 PHE A 4 -8.245 -6.125 6.188 1.00 0.00 C ATOM 62 CE2 PHE A 4 -6.380 -4.910 5.323 1.00 0.00 C ATOM 63 CZ PHE A 4 -6.883 -5.993 6.015 1.00 0.00 C ATOM 0 H PHE A 4 -10.693 -5.216 4.019 1.00 0.00 H new ATOM 0 HA PHE A 4 -11.017 -2.742 2.875 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.988 -2.113 4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.331 -2.859 5.136 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -10.167 -5.285 5.807 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -6.842 -3.116 4.267 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.641 -6.971 6.730 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.314 -4.804 5.186 1.00 0.00 H new ATOM 0 HZ PHE A 4 -6.212 -6.736 6.420 1.00 0.00 H new ATOM 73 N CYS A 5 -8.498 -4.303 1.549 1.00 0.00 N ATOM 74 CA CYS A 5 -7.510 -4.230 0.477 1.00 0.00 C ATOM 75 C CYS A 5 -8.156 -3.731 -0.805 1.00 0.00 C ATOM 76 O CYS A 5 -7.491 -3.177 -1.679 1.00 0.00 O ATOM 77 CB CYS A 5 -6.865 -5.592 0.241 1.00 0.00 C ATOM 78 SG CYS A 5 -5.980 -6.252 1.687 1.00 0.00 S ATOM 0 H CYS A 5 -8.625 -5.233 1.948 1.00 0.00 H new ATOM 0 HA CYS A 5 -6.733 -3.527 0.779 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -7.637 -6.302 -0.055 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.168 -5.513 -0.594 1.00 0.00 H new ATOM 83 N LEU A 6 -9.464 -3.923 -0.899 1.00 0.00 N ATOM 84 CA LEU A 6 -10.216 -3.485 -2.068 1.00 0.00 C ATOM 85 C LEU A 6 -10.533 -1.993 -1.976 1.00 0.00 C ATOM 86 O LEU A 6 -10.939 -1.373 -2.960 1.00 0.00 O ATOM 87 CB LEU A 6 -11.517 -4.283 -2.198 1.00 0.00 C ATOM 88 CG LEU A 6 -11.398 -5.780 -1.906 1.00 0.00 C ATOM 89 CD1 LEU A 6 -12.776 -6.415 -1.802 1.00 0.00 C ATOM 90 CD2 LEU A 6 -10.574 -6.466 -2.986 1.00 0.00 C ATOM 0 H LEU A 6 -10.027 -4.379 -0.181 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.602 -3.661 -2.951 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -12.256 -3.855 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -11.902 -4.156 -3.210 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.890 -5.907 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -12.671 -7.480 -1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -13.335 -5.941 -0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -13.311 -6.280 -2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -10.498 -7.531 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.057 -6.330 -3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.576 -6.029 -3.014 1.00 0.00 H new ATOM 102 N GLU A 7 -10.345 -1.422 -0.787 1.00 0.00 N ATOM 103 CA GLU A 7 -10.605 -0.003 -0.570 1.00 0.00 C ATOM 104 C GLU A 7 -9.525 0.852 -1.229 1.00 0.00 C ATOM 105 O GLU A 7 -8.356 0.782 -0.851 1.00 0.00 O ATOM 106 CB GLU A 7 -10.665 0.309 0.929 1.00 0.00 C ATOM 107 CG GLU A 7 -11.542 1.504 1.266 1.00 0.00 C ATOM 108 CD GLU A 7 -12.287 1.333 2.577 1.00 0.00 C ATOM 109 OE1 GLU A 7 -12.920 0.273 2.765 1.00 0.00 O ATOM 110 OE2 GLU A 7 -12.235 2.257 3.416 1.00 0.00 O ATOM 0 H GLU A 7 -10.014 -1.921 0.039 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.568 0.235 -1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.039 -0.567 1.459 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.655 0.496 1.294 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.923 2.400 1.319 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.261 1.660 0.462 1.00 0.00 H new ATOM 117 N PRO A 8 -9.900 1.684 -2.218 1.00 0.00 N ATOM 118 CA PRO A 8 -8.947 2.554 -2.906 1.00 0.00 C ATOM 119 C PRO A 8 -8.507 3.722 -2.028 1.00 0.00 C ATOM 120 O PRO A 8 -9.183 4.064 -1.059 1.00 0.00 O ATOM 121 CB PRO A 8 -9.735 3.056 -4.116 1.00 0.00 C ATOM 122 CG PRO A 8 -11.159 3.012 -3.685 1.00 0.00 C ATOM 123 CD PRO A 8 -11.276 1.853 -2.731 1.00 0.00 C ATOM 0 HA PRO A 8 -8.028 2.032 -3.172 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.436 4.067 -4.391 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.566 2.425 -4.988 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.448 3.945 -3.201 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.820 2.879 -4.541 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.980 2.065 -1.927 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.629 0.953 -3.235 1.00 0.00 H new ATOM 131 N PRO A 9 -7.365 4.354 -2.360 1.00 0.00 N ATOM 132 CA PRO A 9 -6.836 5.488 -1.605 1.00 0.00 C ATOM 133 C PRO A 9 -7.916 6.474 -1.177 1.00 0.00 C ATOM 134 O PRO A 9 -9.062 6.401 -1.621 1.00 0.00 O ATOM 135 CB PRO A 9 -5.864 6.170 -2.580 1.00 0.00 C ATOM 136 CG PRO A 9 -5.836 5.331 -3.822 1.00 0.00 C ATOM 137 CD PRO A 9 -6.502 4.022 -3.500 1.00 0.00 C ATOM 0 HA PRO A 9 -6.370 5.153 -0.679 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.192 7.185 -2.806 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.868 6.247 -2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.356 5.835 -4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.810 5.168 -4.151 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.079 3.645 -4.345 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.774 3.253 -3.243 1.00 0.00 H new ATOM 145 N TYR A 10 -7.525 7.408 -0.323 1.00 0.00 N ATOM 146 CA TYR A 10 -8.434 8.429 0.179 1.00 0.00 C ATOM 147 C TYR A 10 -8.614 9.542 -0.846 1.00 0.00 C ATOM 148 O TYR A 10 -7.862 9.641 -1.814 1.00 0.00 O ATOM 149 CB TYR A 10 -7.877 9.004 1.476 1.00 0.00 C ATOM 150 CG TYR A 10 -8.837 9.876 2.253 1.00 0.00 C ATOM 151 CD1 TYR A 10 -8.970 11.229 1.962 1.00 0.00 C ATOM 152 CD2 TYR A 10 -9.598 9.350 3.289 1.00 0.00 C ATOM 153 CE1 TYR A 10 -9.837 12.030 2.681 1.00 0.00 C ATOM 154 CE2 TYR A 10 -10.468 10.143 4.009 1.00 0.00 C ATOM 155 CZ TYR A 10 -10.584 11.483 3.702 1.00 0.00 C ATOM 156 OH TYR A 10 -11.449 12.277 4.419 1.00 0.00 O ATOM 0 H TYR A 10 -6.575 7.480 0.040 1.00 0.00 H new ATOM 0 HA TYR A 10 -9.407 7.975 0.365 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.560 8.180 2.115 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.986 9.588 1.244 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.387 11.661 1.162 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -9.507 8.302 3.535 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.929 13.080 2.444 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.055 9.717 4.809 1.00 0.00 H new ATOM 0 HH TYR A 10 -11.899 11.737 5.101 1.00 0.00 H new ATOM 166 N ALA A 11 -9.618 10.376 -0.622 1.00 0.00 N ATOM 167 CA ALA A 11 -9.904 11.490 -1.521 1.00 0.00 C ATOM 168 C ALA A 11 -10.245 12.754 -0.741 1.00 0.00 C ATOM 169 O ALA A 11 -11.405 12.998 -0.409 1.00 0.00 O ATOM 170 CB ALA A 11 -11.043 11.128 -2.464 1.00 0.00 C ATOM 0 H ALA A 11 -10.251 10.305 0.175 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.007 11.688 -2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.246 11.968 -3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.763 10.256 -3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.937 10.900 -1.884 1.00 0.00 H new ATOM 176 N GLY A 12 -9.227 13.562 -0.459 1.00 0.00 N ATOM 177 CA GLY A 12 -9.439 14.797 0.276 1.00 0.00 C ATOM 178 C GLY A 12 -8.535 15.915 -0.196 1.00 0.00 C ATOM 179 O GLY A 12 -7.958 15.844 -1.282 1.00 0.00 O ATOM 0 H GLY A 12 -8.259 13.384 -0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.479 15.106 0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.267 14.618 1.337 1.00 0.00 H new ATOM 183 N ALA A 13 -8.426 16.958 0.617 1.00 0.00 N ATOM 184 CA ALA A 13 -7.610 18.103 0.297 1.00 0.00 C ATOM 185 C ALA A 13 -6.158 17.914 0.733 1.00 0.00 C ATOM 186 O ALA A 13 -5.503 18.864 1.160 1.00 0.00 O ATOM 187 CB ALA A 13 -8.194 19.361 0.926 1.00 0.00 C ATOM 0 H ALA A 13 -8.904 17.026 1.515 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.611 18.211 -0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.568 20.217 0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.202 19.525 0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -8.231 19.243 2.009 1.00 0.00 H new ATOM 193 N CYS A 14 -5.658 16.688 0.623 1.00 0.00 N ATOM 194 CA CYS A 14 -4.281 16.389 1.009 1.00 0.00 C ATOM 195 C CYS A 14 -3.302 16.894 -0.048 1.00 0.00 C ATOM 196 O CYS A 14 -3.668 17.077 -1.209 1.00 0.00 O ATOM 197 CB CYS A 14 -4.090 14.882 1.223 1.00 0.00 C ATOM 198 SG CYS A 14 -5.566 14.005 1.844 1.00 0.00 S ATOM 0 H CYS A 14 -6.182 15.887 0.271 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.078 16.903 1.949 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.787 14.430 0.278 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.271 14.730 1.926 1.00 0.00 H new ATOM 257 N ALA A 19 4.104 8.494 3.272 1.00 0.00 N ATOM 258 CA ALA A 19 4.536 7.800 4.478 1.00 0.00 C ATOM 259 C ALA A 19 3.970 6.385 4.531 1.00 0.00 C ATOM 260 O ALA A 19 4.697 5.423 4.774 1.00 0.00 O ATOM 261 CB ALA A 19 4.123 8.582 5.715 1.00 0.00 C ATOM 0 HA ALA A 19 5.623 7.727 4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.453 8.051 6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.582 9.570 5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.038 8.686 5.734 1.00 0.00 H new ATOM 267 N ARG A 20 2.666 6.269 4.299 1.00 0.00 N ATOM 268 CA ARG A 20 1.997 4.972 4.320 1.00 0.00 C ATOM 269 C ARG A 20 1.788 4.434 2.908 1.00 0.00 C ATOM 270 O ARG A 20 2.156 5.074 1.924 1.00 0.00 O ATOM 271 CB ARG A 20 0.649 5.088 5.038 1.00 0.00 C ATOM 272 CG ARG A 20 0.774 5.338 6.534 1.00 0.00 C ATOM 273 CD ARG A 20 -0.090 4.379 7.337 1.00 0.00 C ATOM 274 NE ARG A 20 -1.298 5.025 7.847 1.00 0.00 N ATOM 275 CZ ARG A 20 -1.364 5.669 9.011 1.00 0.00 C ATOM 276 NH1 ARG A 20 -0.289 5.775 9.783 1.00 0.00 N ATOM 277 NH2 ARG A 20 -2.508 6.215 9.401 1.00 0.00 N ATOM 0 H ARG A 20 2.052 7.057 4.094 1.00 0.00 H new ATOM 0 HA ARG A 20 2.636 4.272 4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.077 5.900 4.589 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.082 4.171 4.878 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.816 5.229 6.836 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.483 6.364 6.757 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.369 3.532 6.711 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.488 3.982 8.171 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.142 4.980 7.276 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.595 5.362 9.486 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.347 6.270 10.673 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.336 6.141 8.810 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.560 6.708 10.292 1.00 0.00 H new ATOM 291 N TYR A 21 1.192 3.252 2.818 1.00 0.00 N ATOM 292 CA TYR A 21 0.924 2.627 1.528 1.00 0.00 C ATOM 293 C TYR A 21 -0.487 2.046 1.484 1.00 0.00 C ATOM 294 O TYR A 21 -1.153 1.929 2.511 1.00 0.00 O ATOM 295 CB TYR A 21 1.937 1.516 1.250 1.00 0.00 C ATOM 296 CG TYR A 21 3.378 1.962 1.327 1.00 0.00 C ATOM 297 CD1 TYR A 21 3.974 2.257 2.546 1.00 0.00 C ATOM 298 CD2 TYR A 21 4.149 2.071 0.177 1.00 0.00 C ATOM 299 CE1 TYR A 21 5.297 2.651 2.616 1.00 0.00 C ATOM 300 CE2 TYR A 21 5.473 2.460 0.238 1.00 0.00 C ATOM 301 CZ TYR A 21 6.042 2.750 1.461 1.00 0.00 C ATOM 302 OH TYR A 21 7.360 3.142 1.528 1.00 0.00 O ATOM 0 H TYR A 21 0.885 2.706 3.623 1.00 0.00 H new ATOM 0 HA TYR A 21 1.013 3.398 0.762 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.779 0.708 1.964 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.747 1.106 0.258 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.395 2.177 3.454 1.00 0.00 H new ATOM 0 HD2 TYR A 21 3.705 1.848 -0.782 1.00 0.00 H new ATOM 0 HE1 TYR A 21 5.745 2.880 3.572 1.00 0.00 H new ATOM 0 HE2 TYR A 21 6.059 2.537 -0.666 1.00 0.00 H new ATOM 0 HH TYR A 21 7.742 3.160 0.626 1.00 0.00 H new ATOM 312 N PHE A 22 -0.928 1.663 0.287 1.00 0.00 N ATOM 313 CA PHE A 22 -2.251 1.065 0.107 1.00 0.00 C ATOM 314 C PHE A 22 -2.211 0.016 -0.986 1.00 0.00 C ATOM 315 O PHE A 22 -1.344 0.042 -1.851 1.00 0.00 O ATOM 316 CB PHE A 22 -3.304 2.115 -0.247 1.00 0.00 C ATOM 317 CG PHE A 22 -3.005 2.883 -1.506 1.00 0.00 C ATOM 318 CD1 PHE A 22 -2.260 4.048 -1.466 1.00 0.00 C ATOM 319 CD2 PHE A 22 -3.476 2.435 -2.729 1.00 0.00 C ATOM 320 CE1 PHE A 22 -1.989 4.752 -2.623 1.00 0.00 C ATOM 321 CE2 PHE A 22 -3.208 3.135 -3.889 1.00 0.00 C ATOM 322 CZ PHE A 22 -2.464 4.295 -3.835 1.00 0.00 C ATOM 0 H PHE A 22 -0.388 1.756 -0.574 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.527 0.604 1.055 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.271 1.623 -0.355 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.395 2.817 0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.886 4.411 -0.520 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.060 1.528 -2.776 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.406 5.660 -2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.580 2.775 -4.837 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.253 4.845 -4.740 1.00 0.00 H new ATOM 332 N TYR A 23 -3.153 -0.910 -0.941 1.00 0.00 N ATOM 333 CA TYR A 23 -3.213 -1.975 -1.940 1.00 0.00 C ATOM 334 C TYR A 23 -3.988 -1.524 -3.169 1.00 0.00 C ATOM 335 O TYR A 23 -5.011 -0.847 -3.058 1.00 0.00 O ATOM 336 CB TYR A 23 -3.851 -3.241 -1.365 1.00 0.00 C ATOM 337 CG TYR A 23 -3.872 -4.391 -2.351 1.00 0.00 C ATOM 338 CD1 TYR A 23 -2.689 -4.985 -2.776 1.00 0.00 C ATOM 339 CD2 TYR A 23 -5.068 -4.871 -2.868 1.00 0.00 C ATOM 340 CE1 TYR A 23 -2.701 -6.024 -3.687 1.00 0.00 C ATOM 341 CE2 TYR A 23 -5.086 -5.912 -3.777 1.00 0.00 C ATOM 342 CZ TYR A 23 -3.901 -6.483 -4.183 1.00 0.00 C ATOM 343 OH TYR A 23 -3.916 -7.518 -5.090 1.00 0.00 O ATOM 0 H TYR A 23 -3.884 -0.951 -0.231 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.188 -2.204 -2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -3.304 -3.544 -0.472 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.871 -3.018 -1.053 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -1.746 -4.629 -2.388 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.000 -4.423 -2.555 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.773 -6.474 -4.009 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.025 -6.276 -4.167 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.471 -7.271 -5.859 1.00 0.00 H new ATOM 353 N ASN A 24 -3.504 -1.918 -4.335 1.00 0.00 N ATOM 354 CA ASN A 24 -4.152 -1.572 -5.592 1.00 0.00 C ATOM 355 C ASN A 24 -4.829 -2.801 -6.185 1.00 0.00 C ATOM 356 O ASN A 24 -4.224 -3.535 -6.958 1.00 0.00 O ATOM 357 CB ASN A 24 -3.129 -1.008 -6.579 1.00 0.00 C ATOM 358 CG ASN A 24 -3.760 -0.584 -7.887 1.00 0.00 C ATOM 359 OD1 ASN A 24 -4.818 -1.083 -8.271 1.00 0.00 O ATOM 360 ND2 ASN A 24 -3.110 0.342 -8.581 1.00 0.00 N ATOM 0 H ASN A 24 -2.660 -2.481 -4.439 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.907 -0.810 -5.399 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.626 -0.153 -6.128 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.365 -1.760 -6.775 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.485 0.668 -9.472 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.236 0.727 -8.223 1.00 0.00 H new ATOM 367 N ALA A 25 -6.086 -3.022 -5.817 1.00 0.00 N ATOM 368 CA ALA A 25 -6.831 -4.172 -6.317 1.00 0.00 C ATOM 369 C ALA A 25 -6.795 -4.236 -7.843 1.00 0.00 C ATOM 370 O ALA A 25 -6.936 -5.307 -8.432 1.00 0.00 O ATOM 371 CB ALA A 25 -8.270 -4.125 -5.820 1.00 0.00 C ATOM 0 H ALA A 25 -6.609 -2.423 -5.177 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.355 -5.075 -5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.815 -4.989 -6.201 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.279 -4.141 -4.730 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.747 -3.211 -6.173 1.00 0.00 H new ATOM 377 N LYS A 26 -6.600 -3.082 -8.476 1.00 0.00 N ATOM 378 CA LYS A 26 -6.545 -3.003 -9.934 1.00 0.00 C ATOM 379 C LYS A 26 -5.113 -3.125 -10.464 1.00 0.00 C ATOM 380 O LYS A 26 -4.890 -3.032 -11.670 1.00 0.00 O ATOM 381 CB LYS A 26 -7.156 -1.681 -10.411 1.00 0.00 C ATOM 382 CG LYS A 26 -8.439 -1.303 -9.688 1.00 0.00 C ATOM 383 CD LYS A 26 -8.726 0.185 -9.804 1.00 0.00 C ATOM 384 CE LYS A 26 -9.541 0.685 -8.622 1.00 0.00 C ATOM 385 NZ LYS A 26 -9.745 2.159 -8.669 1.00 0.00 N ATOM 0 H LYS A 26 -6.477 -2.187 -8.002 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.119 -3.842 -10.326 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.425 -0.884 -10.276 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.359 -1.750 -11.480 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.273 -1.869 -10.104 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.360 -1.578 -8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.787 0.735 -9.859 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.266 0.382 -10.730 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.510 0.185 -8.612 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.035 0.418 -7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.305 2.458 -7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.822 2.638 -8.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.251 2.412 -9.542 1.00 0.00 H new ATOM 399 N ALA A 27 -4.142 -3.319 -9.570 1.00 0.00 N ATOM 400 CA ALA A 27 -2.745 -3.432 -9.992 1.00 0.00 C ATOM 401 C ALA A 27 -1.978 -4.516 -9.224 1.00 0.00 C ATOM 402 O ALA A 27 -0.802 -4.756 -9.496 1.00 0.00 O ATOM 403 CB ALA A 27 -2.046 -2.090 -9.838 1.00 0.00 C ATOM 0 H ALA A 27 -4.293 -3.400 -8.565 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.751 -3.730 -11.040 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.007 -2.183 -10.154 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.548 -1.345 -10.455 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.081 -1.779 -8.794 1.00 0.00 H new ATOM 409 N GLY A 28 -2.641 -5.176 -8.278 1.00 0.00 N ATOM 410 CA GLY A 28 -2.007 -6.228 -7.513 1.00 0.00 C ATOM 411 C GLY A 28 -0.850 -5.766 -6.639 1.00 0.00 C ATOM 412 O GLY A 28 -0.285 -6.560 -5.886 1.00 0.00 O ATOM 0 H GLY A 28 -3.614 -4.996 -8.029 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.757 -6.701 -6.880 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.643 -6.991 -8.201 1.00 0.00 H new ATOM 416 N LEU A 29 -0.488 -4.494 -6.734 1.00 0.00 N ATOM 417 CA LEU A 29 0.614 -3.952 -5.942 1.00 0.00 C ATOM 418 C LEU A 29 0.146 -2.786 -5.075 1.00 0.00 C ATOM 419 O LEU A 29 -0.986 -2.323 -5.202 1.00 0.00 O ATOM 420 CB LEU A 29 1.751 -3.496 -6.862 1.00 0.00 C ATOM 421 CG LEU A 29 3.044 -4.305 -6.742 1.00 0.00 C ATOM 422 CD1 LEU A 29 3.109 -5.369 -7.827 1.00 0.00 C ATOM 423 CD2 LEU A 29 4.257 -3.388 -6.818 1.00 0.00 C ATOM 0 H LEU A 29 -0.939 -3.817 -7.350 1.00 0.00 H new ATOM 0 HA LEU A 29 0.978 -4.742 -5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.404 -3.544 -7.894 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.973 -2.450 -6.649 1.00 0.00 H new ATOM 0 HG LEU A 29 3.051 -4.802 -5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.035 -5.935 -7.727 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.259 -6.044 -7.726 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.080 -4.892 -8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.167 -3.981 -6.731 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.256 -2.862 -7.773 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.217 -2.663 -6.005 1.00 0.00 H new ATOM 435 N CYS A 30 1.026 -2.313 -4.196 1.00 0.00 N ATOM 436 CA CYS A 30 0.691 -1.198 -3.321 1.00 0.00 C ATOM 437 C CYS A 30 1.332 0.092 -3.805 1.00 0.00 C ATOM 438 O CYS A 30 2.171 0.091 -4.706 1.00 0.00 O ATOM 439 CB CYS A 30 1.128 -1.462 -1.882 1.00 0.00 C ATOM 440 SG CYS A 30 0.936 -3.190 -1.335 1.00 0.00 S ATOM 0 H CYS A 30 1.969 -2.682 -4.073 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.394 -1.094 -3.348 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.174 -1.175 -1.776 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.552 -0.818 -1.217 1.00 0.00 H new ATOM 445 N GLN A 31 0.929 1.192 -3.187 1.00 0.00 N ATOM 446 CA GLN A 31 1.454 2.505 -3.533 1.00 0.00 C ATOM 447 C GLN A 31 1.428 3.444 -2.330 1.00 0.00 C ATOM 448 O GLN A 31 0.494 3.413 -1.526 1.00 0.00 O ATOM 449 CB GLN A 31 0.651 3.106 -4.690 1.00 0.00 C ATOM 450 CG GLN A 31 1.078 4.516 -5.066 1.00 0.00 C ATOM 451 CD GLN A 31 1.745 4.582 -6.427 1.00 0.00 C ATOM 452 OE1 GLN A 31 1.103 4.893 -7.431 1.00 0.00 O ATOM 453 NE2 GLN A 31 3.040 4.291 -6.466 1.00 0.00 N ATOM 0 H GLN A 31 0.236 1.201 -2.439 1.00 0.00 H new ATOM 0 HA GLN A 31 2.492 2.383 -3.844 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.751 2.461 -5.563 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.405 3.116 -4.420 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.205 5.169 -5.062 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.765 4.897 -4.310 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.532 4.038 -5.609 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.543 4.320 -7.353 1.00 0.00 H new ATOM 462 N THR A 32 2.446 4.291 -2.222 1.00 0.00 N ATOM 463 CA THR A 32 2.522 5.257 -1.134 1.00 0.00 C ATOM 464 C THR A 32 1.560 6.420 -1.375 1.00 0.00 C ATOM 465 O THR A 32 1.546 7.012 -2.454 1.00 0.00 O ATOM 466 CB THR A 32 3.959 5.769 -0.971 1.00 0.00 C ATOM 467 OG1 THR A 32 4.174 6.243 0.346 1.00 0.00 O ATOM 468 CG2 THR A 32 4.322 6.889 -1.924 1.00 0.00 C ATOM 0 H THR A 32 3.229 4.328 -2.875 1.00 0.00 H new ATOM 0 HA THR A 32 2.227 4.758 -0.211 1.00 0.00 H new ATOM 0 HB THR A 32 4.591 4.910 -1.197 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.504 5.855 0.947 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.353 7.197 -1.748 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.218 6.540 -2.952 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.657 7.737 -1.759 1.00 0.00 H new ATOM 476 N PHE A 33 0.768 6.747 -0.359 1.00 0.00 N ATOM 477 CA PHE A 33 -0.200 7.839 -0.458 1.00 0.00 C ATOM 478 C PHE A 33 0.480 9.138 -0.874 1.00 0.00 C ATOM 479 O PHE A 33 1.697 9.281 -0.749 1.00 0.00 O ATOM 480 CB PHE A 33 -0.917 8.038 0.877 1.00 0.00 C ATOM 481 CG PHE A 33 -1.590 6.799 1.382 1.00 0.00 C ATOM 482 CD1 PHE A 33 -0.885 5.869 2.118 1.00 0.00 C ATOM 483 CD2 PHE A 33 -2.927 6.564 1.116 1.00 0.00 C ATOM 484 CE1 PHE A 33 -1.497 4.724 2.583 1.00 0.00 C ATOM 485 CE2 PHE A 33 -3.545 5.421 1.578 1.00 0.00 C ATOM 486 CZ PHE A 33 -2.830 4.500 2.313 1.00 0.00 C ATOM 0 H PHE A 33 0.776 6.272 0.544 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.930 7.569 -1.221 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.197 8.380 1.620 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.661 8.827 0.767 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.160 6.040 2.333 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.492 7.283 0.541 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.933 4.004 3.158 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.589 5.248 1.364 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.313 3.605 2.676 1.00 0.00 H new ATOM 496 N ALA A 34 -0.309 10.089 -1.366 1.00 0.00 N ATOM 497 CA ALA A 34 0.234 11.366 -1.800 1.00 0.00 C ATOM 498 C ALA A 34 -0.862 12.417 -2.004 1.00 0.00 C ATOM 499 O ALA A 34 -1.974 12.298 -1.466 1.00 0.00 O ATOM 500 CB ALA A 34 1.031 11.168 -3.082 1.00 0.00 C ATOM 0 H ALA A 34 -1.319 9.998 -1.472 1.00 0.00 H new ATOM 0 HA ALA A 34 0.890 11.740 -1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.439 12.125 -3.408 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.847 10.469 -2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.378 10.768 -3.858 1.00 0.00 H new ATOM 506 N TYR A 35 -0.536 13.448 -2.790 1.00 0.00 N ATOM 507 CA TYR A 35 -1.467 14.535 -3.082 1.00 0.00 C ATOM 508 C TYR A 35 -2.891 14.015 -3.225 1.00 0.00 C ATOM 509 O TYR A 35 -3.117 12.948 -3.796 1.00 0.00 O ATOM 510 CB TYR A 35 -1.052 15.259 -4.366 1.00 0.00 C ATOM 511 CG TYR A 35 0.075 16.247 -4.166 1.00 0.00 C ATOM 512 CD1 TYR A 35 1.388 15.816 -4.033 1.00 0.00 C ATOM 513 CD2 TYR A 35 -0.178 17.611 -4.105 1.00 0.00 C ATOM 514 CE1 TYR A 35 2.419 16.717 -3.845 1.00 0.00 C ATOM 515 CE2 TYR A 35 0.847 18.517 -3.917 1.00 0.00 C ATOM 516 CZ TYR A 35 2.143 18.066 -3.787 1.00 0.00 C ATOM 517 OH TYR A 35 3.166 18.967 -3.599 1.00 0.00 O ATOM 0 H TYR A 35 0.375 13.550 -3.237 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.436 15.234 -2.246 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -0.749 14.520 -5.108 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.916 15.784 -4.773 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.607 14.759 -4.077 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.192 17.969 -4.206 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.435 16.366 -3.744 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.634 19.575 -3.872 1.00 0.00 H new ATOM 0 HH TYR A 35 2.802 19.877 -3.583 1.00 0.00 H new ATOM 527 N GLY A 36 -3.846 14.777 -2.708 1.00 0.00 N ATOM 528 CA GLY A 36 -5.226 14.394 -2.787 1.00 0.00 C ATOM 529 C GLY A 36 -5.460 12.928 -2.467 1.00 0.00 C ATOM 530 O GLY A 36 -6.293 12.276 -3.097 1.00 0.00 O ATOM 0 H GLY A 36 -3.677 15.663 -2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.806 15.007 -2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.598 14.604 -3.790 1.00 0.00 H new ATOM 534 N ALA A 37 -4.724 12.408 -1.485 1.00 0.00 N ATOM 535 CA ALA A 37 -4.863 11.013 -1.096 1.00 0.00 C ATOM 536 C ALA A 37 -4.259 10.763 0.283 1.00 0.00 C ATOM 537 O ALA A 37 -3.068 10.483 0.414 1.00 0.00 O ATOM 538 CB ALA A 37 -4.209 10.117 -2.137 1.00 0.00 C ATOM 0 H ALA A 37 -4.031 12.931 -0.950 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.925 10.775 -1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.317 9.074 -1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.690 10.270 -3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.150 10.364 -2.216 1.00 0.00 H new ATOM 544 N CYS A 38 -5.101 10.884 1.310 1.00 0.00 N ATOM 545 CA CYS A 38 -4.682 10.679 2.697 1.00 0.00 C ATOM 546 C CYS A 38 -4.816 9.214 3.102 1.00 0.00 C ATOM 547 O CYS A 38 -5.325 8.391 2.340 1.00 0.00 O ATOM 548 CB CYS A 38 -5.508 11.557 3.642 1.00 0.00 C ATOM 549 SG CYS A 38 -4.998 13.308 3.664 1.00 0.00 S ATOM 0 H CYS A 38 -6.086 11.125 1.205 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.632 10.963 2.772 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.557 11.498 3.352 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.434 11.155 4.652 1.00 0.00 H new ATOM 554 N ALA A 39 -4.357 8.899 4.308 1.00 0.00 N ATOM 555 CA ALA A 39 -4.429 7.537 4.824 1.00 0.00 C ATOM 556 C ALA A 39 -5.846 7.144 5.209 1.00 0.00 C ATOM 557 O ALA A 39 -6.516 7.841 5.972 1.00 0.00 O ATOM 558 CB ALA A 39 -3.486 7.359 6.003 1.00 0.00 C ATOM 0 H ALA A 39 -3.930 9.569 4.948 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.116 6.871 4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.555 6.336 6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.463 7.561 5.685 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.762 8.052 6.798 1.00 0.00 H new ATOM 564 N ALA A 40 -6.285 6.006 4.681 1.00 0.00 N ATOM 565 CA ALA A 40 -7.617 5.489 4.963 1.00 0.00 C ATOM 566 C ALA A 40 -7.651 4.776 6.311 1.00 0.00 C ATOM 567 O ALA A 40 -6.680 4.134 6.714 1.00 0.00 O ATOM 568 CB ALA A 40 -8.066 4.548 3.855 1.00 0.00 C ATOM 0 H ALA A 40 -5.733 5.422 4.052 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.306 6.332 5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.063 4.170 4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.088 5.086 2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.369 3.713 3.782 1.00 0.00 H new ATOM 574 N LYS A 41 -8.771 4.900 7.009 1.00 0.00 N ATOM 575 CA LYS A 41 -8.935 4.278 8.317 1.00 0.00 C ATOM 576 C LYS A 41 -8.871 2.754 8.229 1.00 0.00 C ATOM 577 O LYS A 41 -8.406 2.090 9.156 1.00 0.00 O ATOM 578 CB LYS A 41 -10.267 4.704 8.934 1.00 0.00 C ATOM 579 CG LYS A 41 -10.123 5.367 10.295 1.00 0.00 C ATOM 580 CD LYS A 41 -9.380 6.690 10.193 1.00 0.00 C ATOM 581 CE LYS A 41 -8.218 6.756 11.171 1.00 0.00 C ATOM 582 NZ LYS A 41 -7.144 5.783 10.826 1.00 0.00 N ATOM 0 H LYS A 41 -9.583 5.428 6.690 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.113 4.613 8.949 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.769 5.393 8.255 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.909 3.829 9.032 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.110 5.535 10.726 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.589 4.700 10.972 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.009 6.822 9.177 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.069 7.511 10.390 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.805 7.765 11.177 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.580 6.554 12.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.349 5.895 11.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.517 4.815 10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.815 5.959 9.855 1.00 0.00 H new ATOM 596 N ARG A 42 -9.364 2.204 7.126 1.00 0.00 N ATOM 597 CA ARG A 42 -9.388 0.757 6.939 1.00 0.00 C ATOM 598 C ARG A 42 -8.068 0.215 6.387 1.00 0.00 C ATOM 599 O ARG A 42 -7.233 -0.286 7.139 1.00 0.00 O ATOM 600 CB ARG A 42 -10.549 0.361 6.020 1.00 0.00 C ATOM 601 CG ARG A 42 -11.848 0.099 6.766 1.00 0.00 C ATOM 602 CD ARG A 42 -11.776 -1.179 7.588 1.00 0.00 C ATOM 603 NE ARG A 42 -12.156 -0.953 8.982 1.00 0.00 N ATOM 604 CZ ARG A 42 -12.667 -1.895 9.776 1.00 0.00 C ATOM 605 NH1 ARG A 42 -12.853 -3.129 9.324 1.00 0.00 N ATOM 606 NH2 ARG A 42 -12.989 -1.600 11.029 1.00 0.00 N ATOM 0 H ARG A 42 -9.752 2.737 6.348 1.00 0.00 H new ATOM 0 HA ARG A 42 -9.532 0.309 7.922 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.712 1.154 5.290 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.272 -0.534 5.462 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.068 0.942 7.422 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.669 0.027 6.053 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.433 -1.930 7.150 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.763 -1.580 7.548 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.022 -0.019 9.370 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.605 -3.363 8.363 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.244 -3.843 9.938 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.846 -0.654 11.383 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.380 -2.319 11.638 1.00 0.00 H new ATOM 620 N ASN A 43 -7.897 0.292 5.069 1.00 0.00 N ATOM 621 CA ASN A 43 -6.696 -0.210 4.420 1.00 0.00 C ATOM 622 C ASN A 43 -5.572 0.828 4.435 1.00 0.00 C ATOM 623 O ASN A 43 -5.586 1.797 3.676 1.00 0.00 O ATOM 624 CB ASN A 43 -7.059 -0.659 2.996 1.00 0.00 C ATOM 625 CG ASN A 43 -6.105 -0.166 1.933 1.00 0.00 C ATOM 626 OD1 ASN A 43 -5.117 -0.823 1.600 1.00 0.00 O ATOM 627 ND2 ASN A 43 -6.414 1.004 1.393 1.00 0.00 N ATOM 0 H ASN A 43 -8.580 0.700 4.431 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.312 -1.068 4.972 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.088 -1.748 2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.063 -0.307 2.760 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.821 1.402 0.664 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.244 1.507 1.706 1.00 0.00 H new ATOM 634 N ASN A 44 -4.604 0.615 5.323 1.00 0.00 N ATOM 635 CA ASN A 44 -3.466 1.518 5.456 1.00 0.00 C ATOM 636 C ASN A 44 -2.288 0.815 6.136 1.00 0.00 C ATOM 637 O ASN A 44 -2.321 0.570 7.342 1.00 0.00 O ATOM 638 CB ASN A 44 -3.871 2.756 6.259 1.00 0.00 C ATOM 639 CG ASN A 44 -4.299 2.413 7.674 1.00 0.00 C ATOM 640 OD1 ASN A 44 -4.727 1.293 7.951 1.00 0.00 O ATOM 641 ND2 ASN A 44 -4.185 3.380 8.577 1.00 0.00 N ATOM 0 H ASN A 44 -4.586 -0.179 5.963 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.153 1.824 4.458 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.034 3.453 6.294 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.688 3.266 5.749 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.458 3.209 9.545 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.825 4.294 8.303 1.00 0.00 H new ATOM 648 N PHE A 45 -1.248 0.491 5.367 1.00 0.00 N ATOM 649 CA PHE A 45 -0.078 -0.180 5.919 1.00 0.00 C ATOM 650 C PHE A 45 1.090 0.789 6.054 1.00 0.00 C ATOM 651 O PHE A 45 1.351 1.592 5.158 1.00 0.00 O ATOM 652 CB PHE A 45 0.319 -1.360 5.036 1.00 0.00 C ATOM 653 CG PHE A 45 -0.697 -2.464 5.044 1.00 0.00 C ATOM 654 CD1 PHE A 45 -1.799 -2.413 4.208 1.00 0.00 C ATOM 655 CD2 PHE A 45 -0.559 -3.545 5.901 1.00 0.00 C ATOM 656 CE1 PHE A 45 -2.747 -3.419 4.224 1.00 0.00 C ATOM 657 CE2 PHE A 45 -1.502 -4.557 5.921 1.00 0.00 C ATOM 658 CZ PHE A 45 -2.599 -4.493 5.081 1.00 0.00 C ATOM 0 H PHE A 45 -1.195 0.682 4.367 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.334 -0.550 6.912 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.460 -1.010 4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.278 -1.753 5.374 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.920 -1.577 3.535 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.295 -3.598 6.561 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.603 -3.366 3.567 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.382 -5.395 6.591 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.338 -5.280 5.095 1.00 0.00 H new ATOM 668 N LYS A 46 1.787 0.712 7.183 1.00 0.00 N ATOM 669 CA LYS A 46 2.926 1.583 7.442 1.00 0.00 C ATOM 670 C LYS A 46 4.047 1.358 6.429 1.00 0.00 C ATOM 671 O LYS A 46 4.957 2.178 6.311 1.00 0.00 O ATOM 672 CB LYS A 46 3.454 1.358 8.860 1.00 0.00 C ATOM 673 CG LYS A 46 3.620 -0.108 9.223 1.00 0.00 C ATOM 674 CD LYS A 46 4.679 -0.302 10.298 1.00 0.00 C ATOM 675 CE LYS A 46 5.704 -1.349 9.891 1.00 0.00 C ATOM 676 NZ LYS A 46 6.077 -2.233 11.029 1.00 0.00 N ATOM 0 H LYS A 46 1.582 0.053 7.934 1.00 0.00 H new ATOM 0 HA LYS A 46 2.583 2.613 7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.416 1.860 8.964 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.772 1.824 9.571 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.668 -0.507 9.573 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.895 -0.675 8.334 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.182 0.646 10.489 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.201 -0.603 11.230 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.302 -1.954 9.078 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.596 -0.854 9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.777 -2.933 10.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.484 -1.660 11.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.230 -2.725 11.378 1.00 0.00 H new ATOM 690 N SER A 47 3.980 0.250 5.695 1.00 0.00 N ATOM 691 CA SER A 47 4.996 -0.058 4.701 1.00 0.00 C ATOM 692 C SER A 47 4.422 -0.887 3.567 1.00 0.00 C ATOM 693 O SER A 47 3.539 -1.720 3.774 1.00 0.00 O ATOM 694 CB SER A 47 6.167 -0.808 5.338 1.00 0.00 C ATOM 695 OG SER A 47 5.826 -1.295 6.624 1.00 0.00 O ATOM 0 H SER A 47 3.236 -0.444 5.771 1.00 0.00 H new ATOM 0 HA SER A 47 5.353 0.889 4.296 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.461 -1.640 4.698 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.029 -0.145 5.414 1.00 0.00 H new ATOM 0 HG SER A 47 6.592 -1.771 7.007 1.00 0.00 H new ATOM 701 N ALA A 48 4.944 -0.670 2.368 1.00 0.00 N ATOM 702 CA ALA A 48 4.486 -1.414 1.204 1.00 0.00 C ATOM 703 C ALA A 48 4.703 -2.900 1.418 1.00 0.00 C ATOM 704 O ALA A 48 3.854 -3.717 1.065 1.00 0.00 O ATOM 705 CB ALA A 48 5.194 -0.940 -0.057 1.00 0.00 C ATOM 0 H ALA A 48 5.680 0.010 2.177 1.00 0.00 H new ATOM 0 HA ALA A 48 3.419 -1.233 1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.834 -1.511 -0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.987 0.119 -0.214 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.269 -1.087 0.052 1.00 0.00 H new ATOM 711 N GLU A 49 5.829 -3.244 2.033 1.00 0.00 N ATOM 712 CA GLU A 49 6.121 -4.633 2.329 1.00 0.00 C ATOM 713 C GLU A 49 5.024 -5.171 3.233 1.00 0.00 C ATOM 714 O GLU A 49 4.571 -6.305 3.084 1.00 0.00 O ATOM 715 CB GLU A 49 7.486 -4.770 3.007 1.00 0.00 C ATOM 716 CG GLU A 49 8.630 -5.002 2.033 1.00 0.00 C ATOM 717 CD GLU A 49 8.677 -3.966 0.928 1.00 0.00 C ATOM 718 OE1 GLU A 49 8.589 -2.760 1.240 1.00 0.00 O ATOM 719 OE2 GLU A 49 8.803 -4.359 -0.251 1.00 0.00 O ATOM 0 H GLU A 49 6.546 -2.583 2.332 1.00 0.00 H new ATOM 0 HA GLU A 49 6.156 -5.205 1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.688 -3.867 3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.449 -5.598 3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.574 -4.989 2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.530 -5.994 1.592 1.00 0.00 H new ATOM 726 N ASP A 50 4.583 -4.319 4.155 1.00 0.00 N ATOM 727 CA ASP A 50 3.515 -4.675 5.072 1.00 0.00 C ATOM 728 C ASP A 50 2.209 -4.870 4.306 1.00 0.00 C ATOM 729 O ASP A 50 1.479 -5.831 4.548 1.00 0.00 O ATOM 730 CB ASP A 50 3.348 -3.601 6.147 1.00 0.00 C ATOM 731 CG ASP A 50 3.236 -4.191 7.540 1.00 0.00 C ATOM 732 OD1 ASP A 50 4.229 -4.780 8.017 1.00 0.00 O ATOM 733 OD2 ASP A 50 2.154 -4.068 8.152 1.00 0.00 O ATOM 0 H ASP A 50 4.952 -3.377 4.283 1.00 0.00 H new ATOM 0 HA ASP A 50 3.777 -5.612 5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.198 -2.919 6.111 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.457 -3.011 5.932 1.00 0.00 H new ATOM 738 N CYS A 51 1.920 -3.960 3.369 1.00 0.00 N ATOM 739 CA CYS A 51 0.703 -4.059 2.573 1.00 0.00 C ATOM 740 C CYS A 51 0.720 -5.346 1.749 1.00 0.00 C ATOM 741 O CYS A 51 -0.190 -6.169 1.846 1.00 0.00 O ATOM 742 CB CYS A 51 0.579 -2.830 1.659 1.00 0.00 C ATOM 743 SG CYS A 51 -0.434 -3.080 0.159 1.00 0.00 S ATOM 0 H CYS A 51 2.509 -3.157 3.149 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.161 -4.088 3.237 1.00 0.00 H new ATOM 0 HB2 CYS A 51 0.151 -2.010 2.235 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.579 -2.519 1.356 1.00 0.00 H new ATOM 748 N LEU A 52 1.768 -5.519 0.949 1.00 0.00 N ATOM 749 CA LEU A 52 1.911 -6.707 0.111 1.00 0.00 C ATOM 750 C LEU A 52 1.828 -7.985 0.940 1.00 0.00 C ATOM 751 O LEU A 52 1.205 -8.961 0.532 1.00 0.00 O ATOM 752 CB LEU A 52 3.242 -6.672 -0.640 1.00 0.00 C ATOM 753 CG LEU A 52 3.314 -5.665 -1.789 1.00 0.00 C ATOM 754 CD1 LEU A 52 4.699 -5.673 -2.415 1.00 0.00 C ATOM 755 CD2 LEU A 52 2.253 -5.970 -2.839 1.00 0.00 C ATOM 0 H LEU A 52 2.533 -4.850 0.863 1.00 0.00 H new ATOM 0 HA LEU A 52 1.089 -6.705 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.036 -6.445 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.444 -7.667 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 52 3.121 -4.671 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.734 -4.951 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.440 -5.405 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.918 -6.668 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.321 -5.242 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.413 -6.972 -3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.264 -5.915 -2.384 1.00 0.00 H new ATOM 767 N ARG A 53 2.458 -7.977 2.107 1.00 0.00 N ATOM 768 CA ARG A 53 2.451 -9.141 2.977 1.00 0.00 C ATOM 769 C ARG A 53 1.026 -9.523 3.367 1.00 0.00 C ATOM 770 O ARG A 53 0.622 -10.677 3.228 1.00 0.00 O ATOM 771 CB ARG A 53 3.278 -8.863 4.232 1.00 0.00 C ATOM 772 CG ARG A 53 3.554 -10.102 5.061 1.00 0.00 C ATOM 773 CD ARG A 53 4.303 -9.764 6.340 1.00 0.00 C ATOM 774 NE ARG A 53 5.387 -8.813 6.105 1.00 0.00 N ATOM 775 CZ ARG A 53 5.944 -8.072 7.061 1.00 0.00 C ATOM 776 NH1 ARG A 53 5.528 -8.175 8.317 1.00 0.00 N ATOM 777 NH2 ARG A 53 6.921 -7.228 6.760 1.00 0.00 N ATOM 0 H ARG A 53 2.979 -7.179 2.471 1.00 0.00 H new ATOM 0 HA ARG A 53 2.893 -9.975 2.433 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.226 -8.412 3.940 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.754 -8.132 4.848 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.612 -10.592 5.309 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.137 -10.811 4.474 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.607 -9.348 7.068 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.710 -10.677 6.774 1.00 0.00 H new ATOM 0 HE ARG A 53 5.738 -8.711 5.153 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.778 -8.824 8.554 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.958 -7.605 9.045 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.246 -7.146 5.797 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.348 -6.660 7.492 1.00 0.00 H new ATOM 791 N THR A 54 0.272 -8.547 3.856 1.00 0.00 N ATOM 792 CA THR A 54 -1.108 -8.777 4.273 1.00 0.00 C ATOM 793 C THR A 54 -2.063 -8.797 3.081 1.00 0.00 C ATOM 794 O THR A 54 -2.783 -9.774 2.865 1.00 0.00 O ATOM 795 CB THR A 54 -1.542 -7.693 5.259 1.00 0.00 C ATOM 796 OG1 THR A 54 -0.536 -7.465 6.231 1.00 0.00 O ATOM 797 CG2 THR A 54 -2.823 -8.032 5.993 1.00 0.00 C ATOM 0 H THR A 54 0.592 -7.586 3.974 1.00 0.00 H new ATOM 0 HA THR A 54 -1.149 -9.754 4.755 1.00 0.00 H new ATOM 0 HB THR A 54 -1.713 -6.803 4.654 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.185 -6.931 5.837 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.076 -7.222 6.677 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.631 -8.164 5.273 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.686 -8.954 6.558 1.00 0.00 H new ATOM 805 N CYS A 55 -2.091 -7.698 2.337 1.00 0.00 N ATOM 806 CA CYS A 55 -2.977 -7.567 1.185 1.00 0.00 C ATOM 807 C CYS A 55 -2.504 -8.393 -0.009 1.00 0.00 C ATOM 808 O CYS A 55 -3.308 -9.048 -0.671 1.00 0.00 O ATOM 809 CB CYS A 55 -3.096 -6.096 0.775 1.00 0.00 C ATOM 810 SG CYS A 55 -4.285 -5.141 1.769 1.00 0.00 S ATOM 0 H CYS A 55 -1.507 -6.880 2.512 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.952 -7.950 1.487 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.115 -5.628 0.853 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.391 -6.045 -0.273 1.00 0.00 H new ATOM 815 N GLY A 56 -1.208 -8.350 -0.292 1.00 0.00 N ATOM 816 CA GLY A 56 -0.674 -9.094 -1.419 1.00 0.00 C ATOM 817 C GLY A 56 -0.820 -10.594 -1.253 1.00 0.00 C ATOM 818 O GLY A 56 -0.902 -11.096 -0.132 1.00 0.00 O ATOM 0 H GLY A 56 -0.518 -7.815 0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.185 -8.782 -2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.380 -8.848 -1.545 1.00 0.00 H new