USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ -176:sc= 0 (180deg=-0.0147) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -163:sc= -0.814 USER MOD Single : A 13 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0266) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -2.06 K(o=-2.1,f=-3.5) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.013) USER MOD Single : A 30 THR OG1 : rot 38:sc= 0.132 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.0022 USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.035) USER MOD Single : A 41 ASN : amide:sc= -5.19! C(o=-5.2!,f=-9!) USER MOD Single : A 42 ASN : amide:sc= -6.17! C(o=-6.2!,f=-1.8!) USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0619) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -140:sc= -5.54! (180deg=-8.88!) USER MOD Single : A 52 THR OG1 : rot 74:sc= 0.183 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -7.394 17.366 3.228 1.00 0.00 N ATOM 2 CA ASP A 1 -7.444 16.027 2.582 1.00 0.00 C ATOM 3 C ASP A 1 -6.083 15.341 2.633 1.00 0.00 C ATOM 4 O ASP A 1 -5.061 15.952 2.307 1.00 0.00 O ATOM 5 CB ASP A 1 -7.897 16.192 1.126 1.00 0.00 C ATOM 6 CG ASP A 1 -9.331 16.678 1.003 1.00 0.00 C ATOM 7 OD1 ASP A 1 -10.243 15.968 1.477 1.00 0.00 O ATOM 8 OD2 ASP A 1 -9.541 17.770 0.433 1.00 0.00 O ATOM 0 H1 ASP A 1 -8.347 17.782 3.240 1.00 0.00 H new ATOM 0 H2 ASP A 1 -7.047 17.268 4.203 1.00 0.00 H new ATOM 0 H3 ASP A 1 -6.753 17.986 2.693 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.153 15.400 3.123 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -7.236 16.897 0.623 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -7.797 15.237 0.610 1.00 0.00 H new ATOM 15 N PHE A 2 -6.085 14.070 3.044 1.00 0.00 N ATOM 16 CA PHE A 2 -4.854 13.277 3.145 1.00 0.00 C ATOM 17 C PHE A 2 -4.937 11.992 2.311 1.00 0.00 C ATOM 18 O PHE A 2 -3.931 11.548 1.751 1.00 0.00 O ATOM 19 CB PHE A 2 -4.523 12.962 4.622 1.00 0.00 C ATOM 20 CG PHE A 2 -5.646 12.333 5.422 1.00 0.00 C ATOM 21 CD1 PHE A 2 -5.936 10.981 5.306 1.00 0.00 C ATOM 22 CD2 PHE A 2 -6.394 13.099 6.300 1.00 0.00 C ATOM 23 CE1 PHE A 2 -6.953 10.410 6.045 1.00 0.00 C ATOM 24 CE2 PHE A 2 -7.413 12.533 7.043 1.00 0.00 C ATOM 25 CZ PHE A 2 -7.693 11.186 6.915 1.00 0.00 C ATOM 0 H PHE A 2 -6.929 13.565 3.314 1.00 0.00 H new ATOM 0 HA PHE A 2 -4.042 13.877 2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -3.662 12.293 4.649 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -4.223 13.887 5.114 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -5.359 10.368 4.629 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -6.179 14.152 6.406 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.170 9.357 5.943 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -7.990 13.143 7.723 1.00 0.00 H new ATOM 0 HZ PHE A 2 -8.489 10.741 7.494 1.00 0.00 H new ATOM 35 N CYS A 3 -6.142 11.410 2.234 1.00 0.00 N ATOM 36 CA CYS A 3 -6.374 10.177 1.470 1.00 0.00 C ATOM 37 C CYS A 3 -6.844 10.494 0.041 1.00 0.00 C ATOM 38 O CYS A 3 -6.928 9.601 -0.809 1.00 0.00 O ATOM 39 CB CYS A 3 -7.413 9.312 2.184 1.00 0.00 C ATOM 40 SG CYS A 3 -7.373 7.547 1.722 1.00 0.00 S ATOM 0 H CYS A 3 -6.975 11.776 2.695 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.433 9.631 1.404 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.260 9.397 3.260 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -8.406 9.708 1.971 1.00 0.00 H new ATOM 45 N LEU A 4 -7.145 11.778 -0.202 1.00 0.00 N ATOM 46 CA LEU A 4 -7.606 12.266 -1.513 1.00 0.00 C ATOM 47 C LEU A 4 -6.440 12.543 -2.475 1.00 0.00 C ATOM 48 O LEU A 4 -6.661 12.827 -3.658 1.00 0.00 O ATOM 49 CB LEU A 4 -8.438 13.553 -1.315 1.00 0.00 C ATOM 50 CG LEU A 4 -9.974 13.401 -1.165 1.00 0.00 C ATOM 51 CD1 LEU A 4 -10.629 13.133 -2.512 1.00 0.00 C ATOM 52 CD2 LEU A 4 -10.353 12.305 -0.172 1.00 0.00 C ATOM 0 H LEU A 4 -7.076 12.510 0.505 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.218 11.484 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.063 14.062 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.247 14.210 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.345 14.347 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.706 13.030 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.424 13.963 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.227 12.213 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.439 12.237 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.951 11.351 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.940 12.544 0.808 1.00 0.00 H new ATOM 64 N GLU A 5 -5.207 12.459 -1.960 1.00 0.00 N ATOM 65 CA GLU A 5 -4.000 12.702 -2.760 1.00 0.00 C ATOM 66 C GLU A 5 -3.432 11.387 -3.327 1.00 0.00 C ATOM 67 O GLU A 5 -3.702 10.317 -2.778 1.00 0.00 O ATOM 68 CB GLU A 5 -2.930 13.408 -1.908 1.00 0.00 C ATOM 69 CG GLU A 5 -3.289 14.839 -1.487 1.00 0.00 C ATOM 70 CD GLU A 5 -3.288 15.854 -2.631 1.00 0.00 C ATOM 71 OE1 GLU A 5 -3.005 15.469 -3.790 1.00 0.00 O ATOM 72 OE2 GLU A 5 -3.571 17.040 -2.363 1.00 0.00 O ATOM 0 H GLU A 5 -5.019 12.223 -0.986 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.277 13.344 -3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.749 12.815 -1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.996 13.432 -2.469 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.276 14.832 -1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.583 15.168 -0.725 1.00 0.00 H new ATOM 79 N PRO A 6 -2.630 11.438 -4.442 1.00 0.00 N ATOM 80 CA PRO A 6 -2.032 10.227 -5.064 1.00 0.00 C ATOM 81 C PRO A 6 -1.051 9.494 -4.119 1.00 0.00 C ATOM 82 O PRO A 6 -0.731 10.026 -3.052 1.00 0.00 O ATOM 83 CB PRO A 6 -1.282 10.786 -6.287 1.00 0.00 C ATOM 84 CG PRO A 6 -1.882 12.124 -6.537 1.00 0.00 C ATOM 85 CD PRO A 6 -2.244 12.658 -5.186 1.00 0.00 C ATOM 0 HA PRO A 6 -2.791 9.485 -5.312 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.213 10.865 -6.091 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.400 10.134 -7.153 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.176 12.782 -7.043 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.761 12.047 -7.177 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.404 13.170 -4.715 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -3.064 13.374 -5.241 1.00 0.00 H new ATOM 93 N PRO A 7 -0.551 8.260 -4.484 1.00 0.00 N ATOM 94 CA PRO A 7 0.396 7.479 -3.648 1.00 0.00 C ATOM 95 C PRO A 7 1.639 8.276 -3.234 1.00 0.00 C ATOM 96 O PRO A 7 2.236 8.976 -4.058 1.00 0.00 O ATOM 97 CB PRO A 7 0.771 6.304 -4.572 1.00 0.00 C ATOM 98 CG PRO A 7 0.427 6.770 -5.932 1.00 0.00 C ATOM 99 CD PRO A 7 -0.846 7.507 -5.722 1.00 0.00 C ATOM 0 HA PRO A 7 -0.047 7.178 -2.699 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.831 6.061 -4.493 1.00 0.00 H new ATOM 0 HB3 PRO A 7 0.217 5.402 -4.311 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.203 7.414 -6.346 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.302 5.937 -6.624 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.080 8.167 -6.557 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.694 6.834 -5.600 1.00 0.00 H new ATOM 107 N TYR A 8 1.995 8.187 -1.946 1.00 0.00 N ATOM 108 CA TYR A 8 3.136 8.924 -1.408 1.00 0.00 C ATOM 109 C TYR A 8 4.184 7.990 -0.761 1.00 0.00 C ATOM 110 O TYR A 8 4.585 8.188 0.394 1.00 0.00 O ATOM 111 CB TYR A 8 2.624 9.992 -0.406 1.00 0.00 C ATOM 112 CG TYR A 8 3.702 10.890 0.191 1.00 0.00 C ATOM 113 CD1 TYR A 8 4.444 11.760 -0.604 1.00 0.00 C ATOM 114 CD2 TYR A 8 3.988 10.841 1.552 1.00 0.00 C ATOM 115 CE1 TYR A 8 5.433 12.554 -0.060 1.00 0.00 C ATOM 116 CE2 TYR A 8 4.976 11.634 2.101 1.00 0.00 C ATOM 117 CZ TYR A 8 5.697 12.487 1.291 1.00 0.00 C ATOM 118 OH TYR A 8 6.682 13.277 1.836 1.00 0.00 O ATOM 0 H TYR A 8 1.507 7.611 -1.261 1.00 0.00 H new ATOM 0 HA TYR A 8 3.648 9.421 -2.232 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.890 10.619 -0.912 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.104 9.485 0.407 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.242 11.814 -1.664 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.428 10.172 2.189 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.998 13.225 -0.690 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.184 11.587 3.160 1.00 0.00 H new ATOM 0 HH TYR A 8 6.740 13.109 2.800 1.00 0.00 H new ATOM 128 N THR A 9 4.655 6.987 -1.509 1.00 0.00 N ATOM 129 CA THR A 9 5.681 6.056 -1.019 1.00 0.00 C ATOM 130 C THR A 9 7.065 6.534 -1.502 1.00 0.00 C ATOM 131 O THR A 9 8.071 5.821 -1.393 1.00 0.00 O ATOM 132 CB THR A 9 5.377 4.670 -1.588 1.00 0.00 C ATOM 133 OG1 THR A 9 4.020 4.325 -1.374 1.00 0.00 O ATOM 134 CG2 THR A 9 6.219 3.542 -1.015 1.00 0.00 C ATOM 0 H THR A 9 4.341 6.797 -2.461 1.00 0.00 H new ATOM 0 HA THR A 9 5.680 6.016 0.070 1.00 0.00 H new ATOM 0 HB THR A 9 5.618 4.763 -2.647 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.907 3.358 -1.484 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.930 2.600 -1.480 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.273 3.737 -1.215 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.059 3.479 0.061 1.00 0.00 H new ATOM 142 N GLY A 10 7.075 7.773 -2.001 1.00 0.00 N ATOM 143 CA GLY A 10 8.283 8.453 -2.500 1.00 0.00 C ATOM 144 C GLY A 10 9.273 7.533 -3.231 1.00 0.00 C ATOM 145 O GLY A 10 8.842 6.611 -3.928 1.00 0.00 O ATOM 0 H GLY A 10 6.233 8.344 -2.073 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.982 9.253 -3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.794 8.922 -1.660 1.00 0.00 H new ATOM 149 N PRO A 11 10.615 7.753 -3.085 1.00 0.00 N ATOM 150 CA PRO A 11 11.643 6.920 -3.735 1.00 0.00 C ATOM 151 C PRO A 11 11.926 5.609 -2.979 1.00 0.00 C ATOM 152 O PRO A 11 12.789 4.823 -3.386 1.00 0.00 O ATOM 153 CB PRO A 11 12.896 7.818 -3.730 1.00 0.00 C ATOM 154 CG PRO A 11 12.495 9.104 -3.072 1.00 0.00 C ATOM 155 CD PRO A 11 11.250 8.815 -2.285 1.00 0.00 C ATOM 0 HA PRO A 11 11.325 6.605 -4.729 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.712 7.342 -3.186 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.250 7.996 -4.745 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.289 9.469 -2.420 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.311 9.879 -3.816 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.477 8.481 -1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.612 9.694 -2.196 1.00 0.00 H new ATOM 163 N CYS A 12 11.190 5.390 -1.880 1.00 0.00 N ATOM 164 CA CYS A 12 11.344 4.194 -1.052 1.00 0.00 C ATOM 165 C CYS A 12 10.295 3.131 -1.385 1.00 0.00 C ATOM 166 O CYS A 12 9.179 3.454 -1.799 1.00 0.00 O ATOM 167 CB CYS A 12 11.301 4.580 0.431 1.00 0.00 C ATOM 168 SG CYS A 12 12.749 4.030 1.377 1.00 0.00 S ATOM 0 H CYS A 12 10.475 6.036 -1.545 1.00 0.00 H new ATOM 0 HA CYS A 12 12.315 3.750 -1.270 1.00 0.00 H new ATOM 0 HB2 CYS A 12 11.217 5.664 0.512 1.00 0.00 H new ATOM 0 HB3 CYS A 12 10.403 4.156 0.881 1.00 0.00 H new ATOM 173 N LYS A 13 10.687 1.858 -1.210 1.00 0.00 N ATOM 174 CA LYS A 13 9.838 0.699 -1.484 1.00 0.00 C ATOM 175 C LYS A 13 10.172 -0.419 -0.497 1.00 0.00 C ATOM 176 O LYS A 13 11.129 -1.182 -0.684 1.00 0.00 O ATOM 177 CB LYS A 13 10.027 0.205 -2.931 1.00 0.00 C ATOM 178 CG LYS A 13 9.509 1.163 -3.994 1.00 0.00 C ATOM 179 CD LYS A 13 9.986 0.758 -5.378 1.00 0.00 C ATOM 180 CE LYS A 13 9.467 1.696 -6.461 1.00 0.00 C ATOM 181 NZ LYS A 13 10.057 3.063 -6.357 1.00 0.00 N ATOM 0 H LYS A 13 11.615 1.608 -0.870 1.00 0.00 H new ATOM 0 HA LYS A 13 8.795 0.993 -1.364 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.088 0.027 -3.106 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.520 -0.753 -3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.419 1.180 -3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.848 2.175 -3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.076 0.750 -5.397 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.656 -0.259 -5.591 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.696 1.278 -7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.382 1.765 -6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.740 3.640 -7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.748 3.508 -5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.095 2.995 -6.367 1.00 0.00 H new ATOM 195 N ALA A 14 9.380 -0.480 0.568 1.00 0.00 N ATOM 196 CA ALA A 14 9.554 -1.471 1.643 1.00 0.00 C ATOM 197 C ALA A 14 8.988 -2.865 1.283 1.00 0.00 C ATOM 198 O ALA A 14 8.513 -3.596 2.158 1.00 0.00 O ATOM 199 CB ALA A 14 8.929 -0.947 2.931 1.00 0.00 C ATOM 0 H ALA A 14 8.595 0.154 0.718 1.00 0.00 H new ATOM 0 HA ALA A 14 10.626 -1.610 1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.060 -1.683 3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.415 -0.014 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.865 -0.769 2.773 1.00 0.00 H new ATOM 205 N ARG A 15 9.081 -3.234 -0.016 1.00 0.00 N ATOM 206 CA ARG A 15 8.629 -4.549 -0.573 1.00 0.00 C ATOM 207 C ARG A 15 7.239 -5.019 -0.079 1.00 0.00 C ATOM 208 O ARG A 15 6.949 -6.222 -0.045 1.00 0.00 O ATOM 209 CB ARG A 15 9.714 -5.646 -0.335 1.00 0.00 C ATOM 210 CG ARG A 15 10.002 -5.978 1.136 1.00 0.00 C ATOM 211 CD ARG A 15 9.171 -7.160 1.631 1.00 0.00 C ATOM 212 NE ARG A 15 9.108 -7.233 3.102 1.00 0.00 N ATOM 213 CZ ARG A 15 10.104 -7.658 3.903 1.00 0.00 C ATOM 214 NH1 ARG A 15 11.265 -8.071 3.397 1.00 0.00 N ATOM 215 NH2 ARG A 15 9.929 -7.667 5.217 1.00 0.00 N ATOM 0 H ARG A 15 9.479 -2.620 -0.727 1.00 0.00 H new ATOM 0 HA ARG A 15 8.503 -4.386 -1.643 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.401 -6.559 -0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.643 -5.323 -0.806 1.00 0.00 H new ATOM 0 HG2 ARG A 15 11.061 -6.205 1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.792 -5.104 1.752 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.160 -7.081 1.231 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.596 -8.086 1.243 1.00 0.00 H new ATOM 0 HE ARG A 15 8.240 -6.938 3.549 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.411 -8.069 2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.008 -8.389 4.019 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.044 -7.353 5.616 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.679 -7.988 5.829 1.00 0.00 H new ATOM 229 N ILE A 16 6.393 -4.069 0.287 1.00 0.00 N ATOM 230 CA ILE A 16 5.046 -4.380 0.778 1.00 0.00 C ATOM 231 C ILE A 16 4.002 -3.535 0.039 1.00 0.00 C ATOM 232 O ILE A 16 4.017 -2.311 0.125 1.00 0.00 O ATOM 233 CB ILE A 16 4.938 -4.167 2.326 1.00 0.00 C ATOM 234 CG1 ILE A 16 6.027 -4.980 3.067 1.00 0.00 C ATOM 235 CG2 ILE A 16 3.545 -4.567 2.839 1.00 0.00 C ATOM 236 CD1 ILE A 16 6.359 -4.464 4.459 1.00 0.00 C ATOM 0 H ILE A 16 6.609 -3.073 0.256 1.00 0.00 H new ATOM 0 HA ILE A 16 4.849 -5.433 0.577 1.00 0.00 H new ATOM 0 HB ILE A 16 5.092 -3.107 2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.699 -6.016 3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.936 -4.978 2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.495 -4.410 3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.787 -3.956 2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.364 -5.619 2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.130 -5.092 4.905 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.721 -3.438 4.390 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.464 -4.492 5.081 1.00 0.00 H new ATOM 248 N ILE A 17 3.092 -4.218 -0.672 1.00 0.00 N ATOM 249 CA ILE A 17 2.012 -3.562 -1.436 1.00 0.00 C ATOM 250 C ILE A 17 0.859 -3.190 -0.509 1.00 0.00 C ATOM 251 O ILE A 17 0.502 -3.933 0.411 1.00 0.00 O ATOM 252 CB ILE A 17 1.510 -4.467 -2.606 1.00 0.00 C ATOM 253 CG1 ILE A 17 2.690 -4.839 -3.526 1.00 0.00 C ATOM 254 CG2 ILE A 17 0.404 -3.771 -3.417 1.00 0.00 C ATOM 255 CD1 ILE A 17 2.465 -6.086 -4.359 1.00 0.00 C ATOM 0 H ILE A 17 3.081 -5.236 -0.736 1.00 0.00 H new ATOM 0 HA ILE A 17 2.416 -2.650 -1.876 1.00 0.00 H new ATOM 0 HB ILE A 17 1.088 -5.375 -2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.892 -4.002 -4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.581 -4.981 -2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.077 -4.427 -4.223 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.440 -3.549 -2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.791 -2.843 -3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.343 -6.275 -4.976 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.295 -6.938 -3.700 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.595 -5.943 -5.000 1.00 0.00 H new ATOM 267 N ARG A 18 0.330 -2.003 -0.764 1.00 0.00 N ATOM 268 CA ARG A 18 -0.745 -1.414 0.007 1.00 0.00 C ATOM 269 C ARG A 18 -1.854 -0.873 -0.918 1.00 0.00 C ATOM 270 O ARG A 18 -1.841 -1.134 -2.123 1.00 0.00 O ATOM 271 CB ARG A 18 -0.126 -0.299 0.846 1.00 0.00 C ATOM 272 CG ARG A 18 -0.503 -0.372 2.311 1.00 0.00 C ATOM 273 CD ARG A 18 -0.022 0.845 3.086 1.00 0.00 C ATOM 274 NE ARG A 18 -0.669 0.936 4.400 1.00 0.00 N ATOM 275 CZ ARG A 18 -0.405 1.865 5.330 1.00 0.00 C ATOM 276 NH1 ARG A 18 0.510 2.807 5.127 1.00 0.00 N ATOM 277 NH2 ARG A 18 -1.068 1.844 6.478 1.00 0.00 N ATOM 0 H ARG A 18 0.647 -1.411 -1.532 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.217 -2.157 0.649 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.959 -0.345 0.755 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.439 0.665 0.445 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.586 -0.455 2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.076 -1.273 2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.059 0.792 3.215 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.231 1.748 2.513 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.376 0.236 4.624 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.028 2.834 4.249 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.694 3.503 5.849 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.772 1.125 6.647 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.874 2.546 7.192 1.00 0.00 H new ATOM 291 N TYR A 19 -2.813 -0.129 -0.346 1.00 0.00 N ATOM 292 CA TYR A 19 -3.929 0.446 -1.112 1.00 0.00 C ATOM 293 C TYR A 19 -4.032 1.956 -0.883 1.00 0.00 C ATOM 294 O TYR A 19 -3.630 2.453 0.173 1.00 0.00 O ATOM 295 CB TYR A 19 -5.262 -0.214 -0.713 1.00 0.00 C ATOM 296 CG TYR A 19 -5.429 -1.667 -1.132 1.00 0.00 C ATOM 297 CD1 TYR A 19 -4.567 -2.664 -0.682 1.00 0.00 C ATOM 298 CD2 TYR A 19 -6.474 -2.039 -1.968 1.00 0.00 C ATOM 299 CE1 TYR A 19 -4.740 -3.983 -1.058 1.00 0.00 C ATOM 300 CE2 TYR A 19 -6.656 -3.357 -2.345 1.00 0.00 C ATOM 301 CZ TYR A 19 -5.786 -4.323 -1.888 1.00 0.00 C ATOM 302 OH TYR A 19 -5.964 -5.637 -2.261 1.00 0.00 O ATOM 0 H TYR A 19 -2.837 0.089 0.650 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.731 0.257 -2.167 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.367 -0.153 0.370 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.077 0.366 -1.145 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.749 -2.402 -0.028 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.157 -1.285 -2.330 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.059 -4.743 -0.703 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.476 -3.628 -2.994 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.747 -5.708 -2.847 1.00 0.00 H new ATOM 312 N PHE A 20 -4.602 2.675 -1.868 1.00 0.00 N ATOM 313 CA PHE A 20 -4.797 4.132 -1.765 1.00 0.00 C ATOM 314 C PHE A 20 -6.110 4.533 -2.459 1.00 0.00 C ATOM 315 O PHE A 20 -6.618 3.787 -3.294 1.00 0.00 O ATOM 316 CB PHE A 20 -3.583 4.905 -2.337 1.00 0.00 C ATOM 317 CG PHE A 20 -3.571 5.081 -3.833 1.00 0.00 C ATOM 318 CD1 PHE A 20 -3.125 4.072 -4.671 1.00 0.00 C ATOM 319 CD2 PHE A 20 -4.014 6.268 -4.392 1.00 0.00 C ATOM 320 CE1 PHE A 20 -3.129 4.245 -6.041 1.00 0.00 C ATOM 321 CE2 PHE A 20 -4.015 6.446 -5.756 1.00 0.00 C ATOM 322 CZ PHE A 20 -3.574 5.435 -6.582 1.00 0.00 C ATOM 0 H PHE A 20 -4.935 2.270 -2.743 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.871 4.403 -0.712 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.551 5.891 -1.873 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -2.672 4.384 -2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.771 3.143 -4.249 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.363 7.063 -3.750 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.785 3.451 -6.688 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.361 7.377 -6.179 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.576 5.573 -7.653 1.00 0.00 H new ATOM 332 N TYR A 21 -6.655 5.698 -2.094 1.00 0.00 N ATOM 333 CA TYR A 21 -7.925 6.178 -2.663 1.00 0.00 C ATOM 334 C TYR A 21 -7.744 7.047 -3.914 1.00 0.00 C ATOM 335 O TYR A 21 -7.150 8.129 -3.849 1.00 0.00 O ATOM 336 CB TYR A 21 -8.707 6.979 -1.589 1.00 0.00 C ATOM 337 CG TYR A 21 -9.981 7.687 -2.071 1.00 0.00 C ATOM 338 CD1 TYR A 21 -10.900 7.066 -2.920 1.00 0.00 C ATOM 339 CD2 TYR A 21 -10.259 8.985 -1.655 1.00 0.00 C ATOM 340 CE1 TYR A 21 -12.048 7.722 -3.332 1.00 0.00 C ATOM 341 CE2 TYR A 21 -11.407 9.639 -2.062 1.00 0.00 C ATOM 342 CZ TYR A 21 -12.295 9.004 -2.899 1.00 0.00 C ATOM 343 OH TYR A 21 -13.436 9.656 -3.307 1.00 0.00 O ATOM 0 H TYR A 21 -6.239 6.328 -1.408 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.482 5.293 -2.971 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.977 6.298 -0.782 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.038 7.727 -1.164 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -10.712 6.058 -3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.564 9.492 -1.001 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.747 7.229 -3.991 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.606 10.645 -1.724 1.00 0.00 H new ATOM 0 HH TYR A 21 -13.460 10.552 -2.911 1.00 0.00 H new ATOM 353 N ASN A 22 -8.334 6.595 -5.036 1.00 0.00 N ATOM 354 CA ASN A 22 -8.326 7.348 -6.272 1.00 0.00 C ATOM 355 C ASN A 22 -9.710 7.972 -6.430 1.00 0.00 C ATOM 356 O ASN A 22 -10.670 7.291 -6.834 1.00 0.00 O ATOM 357 CB ASN A 22 -8.043 6.456 -7.482 1.00 0.00 C ATOM 358 CG ASN A 22 -6.745 5.689 -7.411 1.00 0.00 C ATOM 359 OD1 ASN A 22 -6.502 4.942 -6.463 1.00 0.00 O ATOM 360 ND2 ASN A 22 -5.911 5.858 -8.429 1.00 0.00 N ATOM 0 H ASN A 22 -8.823 5.702 -5.096 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.538 8.100 -6.228 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.863 5.746 -7.593 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.034 7.076 -8.379 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.023 5.357 -8.449 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.158 6.489 -9.192 1.00 0.00 H new ATOM 367 N ALA A 23 -9.830 9.258 -6.092 1.00 0.00 N ATOM 368 CA ALA A 23 -11.112 9.964 -6.178 1.00 0.00 C ATOM 369 C ALA A 23 -11.501 10.281 -7.638 1.00 0.00 C ATOM 370 O ALA A 23 -12.394 11.101 -7.891 1.00 0.00 O ATOM 371 CB ALA A 23 -11.055 11.236 -5.341 1.00 0.00 C ATOM 0 H ALA A 23 -9.056 9.832 -5.756 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.887 9.308 -5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.009 11.758 -5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.854 10.979 -4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.261 11.882 -5.715 1.00 0.00 H new ATOM 377 N LYS A 24 -10.838 9.602 -8.590 1.00 0.00 N ATOM 378 CA LYS A 24 -11.117 9.781 -10.016 1.00 0.00 C ATOM 379 C LYS A 24 -12.087 8.697 -10.497 1.00 0.00 C ATOM 380 O LYS A 24 -12.823 8.893 -11.469 1.00 0.00 O ATOM 381 CB LYS A 24 -9.804 9.733 -10.817 1.00 0.00 C ATOM 382 CG LYS A 24 -9.908 10.294 -12.233 1.00 0.00 C ATOM 383 CD LYS A 24 -8.577 10.211 -12.964 1.00 0.00 C ATOM 384 CE LYS A 24 -8.681 10.770 -14.374 1.00 0.00 C ATOM 385 NZ LYS A 24 -7.382 10.693 -15.099 1.00 0.00 N ATOM 0 H LYS A 24 -10.103 8.923 -8.391 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.581 10.754 -10.174 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.041 10.290 -10.274 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.464 8.699 -10.873 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.665 9.742 -12.790 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.237 11.332 -12.191 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.820 10.763 -12.407 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.248 9.173 -13.006 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.440 10.218 -14.929 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.011 11.808 -14.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.495 11.084 -16.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.664 11.241 -14.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.079 9.700 -15.164 1.00 0.00 H new ATOM 399 N ALA A 25 -12.066 7.560 -9.798 1.00 0.00 N ATOM 400 CA ALA A 25 -12.919 6.421 -10.114 1.00 0.00 C ATOM 401 C ALA A 25 -13.890 6.118 -8.969 1.00 0.00 C ATOM 402 O ALA A 25 -15.049 5.769 -9.214 1.00 0.00 O ATOM 403 CB ALA A 25 -12.058 5.210 -10.423 1.00 0.00 C ATOM 0 H ALA A 25 -11.455 7.407 -8.996 1.00 0.00 H new ATOM 0 HA ALA A 25 -13.517 6.668 -10.991 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.698 4.359 -10.659 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.415 5.429 -11.276 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.442 4.971 -9.556 1.00 0.00 H new ATOM 409 N GLY A 26 -13.409 6.263 -7.724 1.00 0.00 N ATOM 410 CA GLY A 26 -14.246 6.010 -6.553 1.00 0.00 C ATOM 411 C GLY A 26 -13.926 4.695 -5.857 1.00 0.00 C ATOM 412 O GLY A 26 -14.815 4.070 -5.272 1.00 0.00 O ATOM 0 H GLY A 26 -12.454 6.551 -7.509 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.123 6.828 -5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.293 6.007 -6.857 1.00 0.00 H new ATOM 416 N LEU A 27 -12.650 4.286 -5.917 1.00 0.00 N ATOM 417 CA LEU A 27 -12.189 3.040 -5.282 1.00 0.00 C ATOM 418 C LEU A 27 -10.706 3.120 -4.898 1.00 0.00 C ATOM 419 O LEU A 27 -9.992 4.045 -5.308 1.00 0.00 O ATOM 420 CB LEU A 27 -12.454 1.800 -6.181 1.00 0.00 C ATOM 421 CG LEU A 27 -11.975 1.881 -7.640 1.00 0.00 C ATOM 422 CD1 LEU A 27 -11.644 0.491 -8.163 1.00 0.00 C ATOM 423 CD2 LEU A 27 -13.042 2.522 -8.517 1.00 0.00 C ATOM 0 H LEU A 27 -11.915 4.802 -6.401 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.771 2.919 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.979 0.936 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.527 1.609 -6.187 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.077 2.497 -7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.306 0.562 -9.197 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.855 0.051 -7.553 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.533 -0.137 -8.114 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.686 2.571 -9.546 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.953 1.925 -8.476 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.252 3.529 -8.157 1.00 0.00 H new ATOM 435 N CYS A 28 -10.262 2.135 -4.103 1.00 0.00 N ATOM 436 CA CYS A 28 -8.878 2.055 -3.645 1.00 0.00 C ATOM 437 C CYS A 28 -8.054 1.156 -4.565 1.00 0.00 C ATOM 438 O CYS A 28 -8.442 0.018 -4.846 1.00 0.00 O ATOM 439 CB CYS A 28 -8.832 1.553 -2.198 1.00 0.00 C ATOM 440 SG CYS A 28 -9.577 2.710 -1.005 1.00 0.00 S ATOM 0 H CYS A 28 -10.854 1.377 -3.764 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.440 3.052 -3.678 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.351 0.596 -2.137 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.794 1.372 -1.917 1.00 0.00 H new ATOM 445 N GLN A 29 -6.924 1.693 -5.041 1.00 0.00 N ATOM 446 CA GLN A 29 -6.030 0.974 -5.952 1.00 0.00 C ATOM 447 C GLN A 29 -4.901 0.274 -5.180 1.00 0.00 C ATOM 448 O GLN A 29 -4.593 0.643 -4.039 1.00 0.00 O ATOM 449 CB GLN A 29 -5.457 1.954 -6.997 1.00 0.00 C ATOM 450 CG GLN A 29 -4.843 1.296 -8.237 1.00 0.00 C ATOM 451 CD GLN A 29 -5.875 0.665 -9.160 1.00 0.00 C ATOM 452 OE1 GLN A 29 -6.749 1.349 -9.695 1.00 0.00 O ATOM 453 NE2 GLN A 29 -5.777 -0.646 -9.347 1.00 0.00 N ATOM 0 H GLN A 29 -6.606 2.633 -4.806 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.601 0.202 -6.467 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.254 2.625 -7.318 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.696 2.569 -6.517 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.278 2.044 -8.793 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.134 0.531 -7.920 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.037 -1.173 -8.884 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.442 -1.126 -9.954 1.00 0.00 H new ATOM 462 N THR A 30 -4.305 -0.738 -5.829 1.00 0.00 N ATOM 463 CA THR A 30 -3.213 -1.525 -5.244 1.00 0.00 C ATOM 464 C THR A 30 -1.843 -0.991 -5.666 1.00 0.00 C ATOM 465 O THR A 30 -1.549 -0.867 -6.860 1.00 0.00 O ATOM 466 CB THR A 30 -3.335 -3.004 -5.639 1.00 0.00 C ATOM 467 OG1 THR A 30 -3.447 -3.144 -7.045 1.00 0.00 O ATOM 468 CG2 THR A 30 -4.521 -3.709 -5.010 1.00 0.00 C ATOM 0 H THR A 30 -4.566 -1.032 -6.770 1.00 0.00 H new ATOM 0 HA THR A 30 -3.297 -1.435 -4.161 1.00 0.00 H new ATOM 0 HB THR A 30 -2.423 -3.470 -5.266 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.863 -2.493 -7.486 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.541 -4.749 -5.336 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.433 -3.670 -3.924 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.443 -3.215 -5.317 1.00 0.00 H new ATOM 476 N PHE A 31 -1.016 -0.679 -4.660 1.00 0.00 N ATOM 477 CA PHE A 31 0.344 -0.153 -4.860 1.00 0.00 C ATOM 478 C PHE A 31 1.201 -0.475 -3.622 1.00 0.00 C ATOM 479 O PHE A 31 0.655 -0.794 -2.580 1.00 0.00 O ATOM 480 CB PHE A 31 0.287 1.375 -5.098 1.00 0.00 C ATOM 481 CG PHE A 31 0.198 2.196 -3.836 1.00 0.00 C ATOM 482 CD1 PHE A 31 -0.924 2.150 -3.014 1.00 0.00 C ATOM 483 CD2 PHE A 31 1.258 2.997 -3.470 1.00 0.00 C ATOM 484 CE1 PHE A 31 -0.973 2.894 -1.851 1.00 0.00 C ATOM 485 CE2 PHE A 31 1.213 3.743 -2.314 1.00 0.00 C ATOM 486 CZ PHE A 31 0.098 3.693 -1.502 1.00 0.00 C ATOM 0 H PHE A 31 -1.271 -0.784 -3.678 1.00 0.00 H new ATOM 0 HA PHE A 31 0.794 -0.622 -5.735 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.175 1.678 -5.653 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.574 1.601 -5.726 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.763 1.528 -3.287 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.135 3.040 -4.098 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.846 2.851 -1.217 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.051 4.368 -2.042 1.00 0.00 H new ATOM 0 HZ PHE A 31 0.063 4.278 -0.595 1.00 0.00 H new ATOM 496 N VAL A 32 2.531 -0.436 -3.755 1.00 0.00 N ATOM 497 CA VAL A 32 3.463 -0.783 -2.668 1.00 0.00 C ATOM 498 C VAL A 32 3.502 0.312 -1.568 1.00 0.00 C ATOM 499 O VAL A 32 2.775 1.303 -1.637 1.00 0.00 O ATOM 500 CB VAL A 32 4.902 -1.019 -3.257 1.00 0.00 C ATOM 501 CG1 VAL A 32 5.786 -1.843 -2.321 1.00 0.00 C ATOM 502 CG2 VAL A 32 4.847 -1.695 -4.625 1.00 0.00 C ATOM 0 H VAL A 32 2.996 -0.163 -4.621 1.00 0.00 H new ATOM 0 HA VAL A 32 3.106 -1.700 -2.200 1.00 0.00 H new ATOM 0 HB VAL A 32 5.346 -0.029 -3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.768 -1.978 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.893 -1.322 -1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.328 -2.817 -2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.860 -1.841 -5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.351 -2.661 -4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.291 -1.066 -5.320 1.00 0.00 H new ATOM 512 N TYR A 33 4.344 0.082 -0.549 1.00 0.00 N ATOM 513 CA TYR A 33 4.494 0.986 0.595 1.00 0.00 C ATOM 514 C TYR A 33 5.922 0.943 1.146 1.00 0.00 C ATOM 515 O TYR A 33 6.635 -0.051 0.982 1.00 0.00 O ATOM 516 CB TYR A 33 3.478 0.609 1.705 1.00 0.00 C ATOM 517 CG TYR A 33 3.507 1.491 2.950 1.00 0.00 C ATOM 518 CD1 TYR A 33 3.259 2.860 2.879 1.00 0.00 C ATOM 519 CD2 TYR A 33 3.795 0.945 4.195 1.00 0.00 C ATOM 520 CE1 TYR A 33 3.296 3.652 4.010 1.00 0.00 C ATOM 521 CE2 TYR A 33 3.832 1.731 5.330 1.00 0.00 C ATOM 522 CZ TYR A 33 3.582 3.083 5.232 1.00 0.00 C ATOM 523 OH TYR A 33 3.618 3.866 6.362 1.00 0.00 O ATOM 0 H TYR A 33 4.942 -0.742 -0.498 1.00 0.00 H new ATOM 0 HA TYR A 33 4.293 2.003 0.257 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.474 0.642 1.281 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.663 -0.422 2.007 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.034 3.310 1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.994 -0.113 4.277 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.102 4.712 3.937 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.056 1.289 6.289 1.00 0.00 H new ATOM 0 HH TYR A 33 3.833 3.309 7.139 1.00 0.00 H new ATOM 533 N GLY A 34 6.306 2.035 1.812 1.00 0.00 N ATOM 534 CA GLY A 34 7.622 2.146 2.411 1.00 0.00 C ATOM 535 C GLY A 34 7.577 2.884 3.733 1.00 0.00 C ATOM 536 O GLY A 34 6.846 3.870 3.869 1.00 0.00 O ATOM 0 H GLY A 34 5.714 2.855 1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.037 1.150 2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.291 2.667 1.726 1.00 0.00 H new ATOM 540 N GLY A 35 8.366 2.408 4.707 1.00 0.00 N ATOM 541 CA GLY A 35 8.415 3.037 6.029 1.00 0.00 C ATOM 542 C GLY A 35 9.271 4.300 6.058 1.00 0.00 C ATOM 543 O GLY A 35 9.439 4.919 7.113 1.00 0.00 O ATOM 0 H GLY A 35 8.974 1.595 4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.402 3.284 6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.808 2.322 6.751 1.00 0.00 H new ATOM 547 N CYS A 36 9.803 4.669 4.889 1.00 0.00 N ATOM 548 CA CYS A 36 10.647 5.854 4.735 1.00 0.00 C ATOM 549 C CYS A 36 9.867 7.092 4.264 1.00 0.00 C ATOM 550 O CYS A 36 10.446 8.179 4.151 1.00 0.00 O ATOM 551 CB CYS A 36 11.818 5.562 3.778 1.00 0.00 C ATOM 552 SG CYS A 36 11.987 3.830 3.242 1.00 0.00 S ATOM 0 H CYS A 36 9.659 4.152 4.022 1.00 0.00 H new ATOM 0 HA CYS A 36 11.037 6.088 5.725 1.00 0.00 H new ATOM 0 HB2 CYS A 36 11.704 6.188 2.893 1.00 0.00 H new ATOM 0 HB3 CYS A 36 12.745 5.864 4.265 1.00 0.00 H new ATOM 557 N ARG A 37 8.560 6.937 3.997 1.00 0.00 N ATOM 558 CA ARG A 37 7.730 8.068 3.544 1.00 0.00 C ATOM 559 C ARG A 37 6.394 8.154 4.297 1.00 0.00 C ATOM 560 O ARG A 37 5.707 9.173 4.196 1.00 0.00 O ATOM 561 CB ARG A 37 7.463 7.989 2.026 1.00 0.00 C ATOM 562 CG ARG A 37 8.720 7.947 1.144 1.00 0.00 C ATOM 563 CD ARG A 37 9.495 9.267 1.138 1.00 0.00 C ATOM 564 NE ARG A 37 8.780 10.339 0.433 1.00 0.00 N ATOM 565 CZ ARG A 37 9.252 11.582 0.261 1.00 0.00 C ATOM 566 NH1 ARG A 37 10.438 11.942 0.748 1.00 0.00 N ATOM 567 NH2 ARG A 37 8.527 12.472 -0.402 1.00 0.00 N ATOM 0 H ARG A 37 8.059 6.053 4.085 1.00 0.00 H new ATOM 0 HA ARG A 37 8.299 8.971 3.764 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.866 7.100 1.824 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.861 8.850 1.733 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.375 7.150 1.494 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.432 7.697 0.123 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.685 9.577 2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.466 9.112 0.667 1.00 0.00 H new ATOM 0 HE ARG A 37 7.861 10.123 0.048 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.004 11.267 1.262 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.780 12.892 0.607 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.616 12.209 -0.778 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.880 13.419 -0.536 1.00 0.00 H new ATOM 581 N ALA A 38 6.040 7.073 5.034 1.00 0.00 N ATOM 582 CA ALA A 38 4.783 6.955 5.829 1.00 0.00 C ATOM 583 C ALA A 38 3.975 8.257 5.935 1.00 0.00 C ATOM 584 O ALA A 38 4.475 9.270 6.438 1.00 0.00 O ATOM 585 CB ALA A 38 5.105 6.428 7.221 1.00 0.00 C ATOM 0 H ALA A 38 6.627 6.241 5.097 1.00 0.00 H new ATOM 0 HA ALA A 38 4.147 6.255 5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.185 6.343 7.800 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.574 5.448 7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.786 7.116 7.722 1.00 0.00 H new ATOM 591 N LYS A 39 2.735 8.220 5.430 1.00 0.00 N ATOM 592 CA LYS A 39 1.863 9.394 5.431 1.00 0.00 C ATOM 593 C LYS A 39 0.482 9.085 6.060 1.00 0.00 C ATOM 594 O LYS A 39 0.383 8.905 7.277 1.00 0.00 O ATOM 595 CB LYS A 39 1.753 9.928 3.978 1.00 0.00 C ATOM 596 CG LYS A 39 1.181 11.341 3.831 1.00 0.00 C ATOM 597 CD LYS A 39 2.133 12.416 4.354 1.00 0.00 C ATOM 598 CE LYS A 39 1.549 13.816 4.205 1.00 0.00 C ATOM 599 NZ LYS A 39 1.424 14.232 2.777 1.00 0.00 N ATOM 0 H LYS A 39 2.316 7.387 5.016 1.00 0.00 H new ATOM 0 HA LYS A 39 2.296 10.173 6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.745 9.909 3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.129 9.242 3.405 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.963 11.534 2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.236 11.404 4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.354 12.225 5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.078 12.358 3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.567 13.849 4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.182 14.529 4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.119 15.225 2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.344 14.130 2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.721 13.631 2.301 1.00 0.00 H new ATOM 613 N ARG A 40 -0.570 9.035 5.223 1.00 0.00 N ATOM 614 CA ARG A 40 -1.955 8.761 5.661 1.00 0.00 C ATOM 615 C ARG A 40 -2.790 8.128 4.539 1.00 0.00 C ATOM 616 O ARG A 40 -3.697 7.334 4.801 1.00 0.00 O ATOM 617 CB ARG A 40 -2.646 10.065 6.100 1.00 0.00 C ATOM 618 CG ARG A 40 -2.105 10.687 7.390 1.00 0.00 C ATOM 619 CD ARG A 40 -2.479 9.896 8.652 1.00 0.00 C ATOM 620 NE ARG A 40 -3.915 9.958 8.975 1.00 0.00 N ATOM 621 CZ ARG A 40 -4.856 9.121 8.501 1.00 0.00 C ATOM 622 NH1 ARG A 40 -4.539 8.112 7.693 1.00 0.00 N ATOM 623 NH2 ARG A 40 -6.122 9.295 8.854 1.00 0.00 N ATOM 0 H ARG A 40 -0.485 9.184 4.218 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.892 8.063 6.496 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.552 10.795 5.296 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.710 9.868 6.229 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.019 10.758 7.323 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.486 11.704 7.482 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.188 8.854 8.519 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.907 10.281 9.496 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.221 10.696 9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.567 7.962 7.422 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.268 7.489 7.345 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.376 10.059 9.480 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.842 8.665 8.499 1.00 0.00 H new ATOM 637 N ASN A 41 -2.476 8.514 3.294 1.00 0.00 N ATOM 638 CA ASN A 41 -3.172 8.040 2.082 1.00 0.00 C ATOM 639 C ASN A 41 -2.936 6.540 1.785 1.00 0.00 C ATOM 640 O ASN A 41 -3.490 6.000 0.819 1.00 0.00 O ATOM 641 CB ASN A 41 -2.686 8.894 0.894 1.00 0.00 C ATOM 642 CG ASN A 41 -3.299 8.501 -0.438 1.00 0.00 C ATOM 643 OD1 ASN A 41 -4.423 8.884 -0.759 1.00 0.00 O ATOM 644 ND2 ASN A 41 -2.573 7.681 -1.192 1.00 0.00 N ATOM 0 H ASN A 41 -1.723 9.172 3.095 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.245 8.148 2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.916 9.941 1.094 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.601 8.814 0.821 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.944 7.342 -2.080 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.645 7.391 -0.883 1.00 0.00 H new ATOM 651 N ASN A 42 -2.117 5.881 2.597 1.00 0.00 N ATOM 652 CA ASN A 42 -1.812 4.474 2.384 1.00 0.00 C ATOM 653 C ASN A 42 -2.541 3.606 3.398 1.00 0.00 C ATOM 654 O ASN A 42 -2.664 3.970 4.571 1.00 0.00 O ATOM 655 CB ASN A 42 -0.301 4.228 2.446 1.00 0.00 C ATOM 656 CG ASN A 42 0.539 5.097 1.498 1.00 0.00 C ATOM 657 OD1 ASN A 42 1.767 5.033 1.521 1.00 0.00 O ATOM 658 ND2 ASN A 42 -0.107 5.906 0.657 1.00 0.00 N ATOM 0 H ASN A 42 -1.655 6.298 3.405 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.159 4.199 1.388 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.038 4.400 3.468 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.109 3.179 2.219 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.419 6.493 0.010 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.127 5.937 0.661 1.00 0.00 H new ATOM 665 N PHE A 43 -3.054 2.473 2.910 1.00 0.00 N ATOM 666 CA PHE A 43 -3.825 1.531 3.725 1.00 0.00 C ATOM 667 C PHE A 43 -3.697 0.104 3.189 1.00 0.00 C ATOM 668 O PHE A 43 -3.954 -0.135 2.010 1.00 0.00 O ATOM 669 CB PHE A 43 -5.298 1.943 3.677 1.00 0.00 C ATOM 670 CG PHE A 43 -5.757 2.890 4.756 1.00 0.00 C ATOM 671 CD1 PHE A 43 -5.599 2.593 6.106 1.00 0.00 C ATOM 672 CD2 PHE A 43 -6.383 4.075 4.408 1.00 0.00 C ATOM 673 CE1 PHE A 43 -6.053 3.465 7.077 1.00 0.00 C ATOM 674 CE2 PHE A 43 -6.835 4.949 5.372 1.00 0.00 C ATOM 675 CZ PHE A 43 -6.672 4.644 6.711 1.00 0.00 C ATOM 0 H PHE A 43 -2.946 2.183 1.938 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.442 1.553 4.745 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.494 2.405 2.709 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -5.908 1.041 3.729 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.117 1.672 6.398 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.519 4.318 3.364 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.924 3.225 8.122 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.316 5.871 5.082 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.028 5.326 7.469 1.00 0.00 H new ATOM 685 N LYS A 44 -3.298 -0.850 4.051 1.00 0.00 N ATOM 686 CA LYS A 44 -3.135 -2.262 3.642 1.00 0.00 C ATOM 687 C LYS A 44 -4.465 -2.911 3.235 1.00 0.00 C ATOM 688 O LYS A 44 -4.508 -3.693 2.280 1.00 0.00 O ATOM 689 CB LYS A 44 -2.505 -3.101 4.770 1.00 0.00 C ATOM 690 CG LYS A 44 -1.058 -2.754 5.108 1.00 0.00 C ATOM 691 CD LYS A 44 -0.967 -1.589 6.086 1.00 0.00 C ATOM 692 CE LYS A 44 0.475 -1.276 6.470 1.00 0.00 C ATOM 693 NZ LYS A 44 1.096 -2.365 7.280 1.00 0.00 N ATOM 0 H LYS A 44 -3.083 -0.672 5.032 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.474 -2.247 2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.109 -2.983 5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.553 -4.153 4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.566 -3.627 5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.522 -2.503 4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.423 -0.705 5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.538 -1.824 6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.063 -1.119 5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.504 -0.344 7.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.023 -2.051 7.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.480 -2.592 8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.218 -3.211 6.688 1.00 0.00 H new ATOM 707 N SER A 45 -5.534 -2.596 3.976 1.00 0.00 N ATOM 708 CA SER A 45 -6.857 -3.160 3.709 1.00 0.00 C ATOM 709 C SER A 45 -7.744 -2.193 2.930 1.00 0.00 C ATOM 710 O SER A 45 -7.921 -1.030 3.324 1.00 0.00 O ATOM 711 CB SER A 45 -7.539 -3.547 5.023 1.00 0.00 C ATOM 712 OG SER A 45 -6.778 -4.512 5.729 1.00 0.00 O ATOM 0 H SER A 45 -5.506 -1.952 4.766 1.00 0.00 H new ATOM 0 HA SER A 45 -6.715 -4.048 3.094 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.671 -2.660 5.642 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.533 -3.943 4.817 1.00 0.00 H new ATOM 0 HG SER A 45 -7.235 -4.741 6.565 1.00 0.00 H new ATOM 718 N ALA A 46 -8.323 -2.701 1.828 1.00 0.00 N ATOM 719 CA ALA A 46 -9.227 -1.918 0.974 1.00 0.00 C ATOM 720 C ALA A 46 -10.483 -1.500 1.743 1.00 0.00 C ATOM 721 O ALA A 46 -10.949 -0.365 1.610 1.00 0.00 O ATOM 722 CB ALA A 46 -9.603 -2.717 -0.268 1.00 0.00 C ATOM 0 H ALA A 46 -8.178 -3.659 1.508 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.705 -1.013 0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.273 -2.126 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.702 -2.959 -0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.104 -3.638 0.030 1.00 0.00 H new ATOM 728 N GLU A 47 -11.014 -2.443 2.552 1.00 0.00 N ATOM 729 CA GLU A 47 -12.218 -2.221 3.377 1.00 0.00 C ATOM 730 C GLU A 47 -12.131 -0.899 4.163 1.00 0.00 C ATOM 731 O GLU A 47 -13.005 -0.039 4.022 1.00 0.00 O ATOM 732 CB GLU A 47 -12.481 -3.424 4.319 1.00 0.00 C ATOM 733 CG GLU A 47 -11.287 -3.861 5.179 1.00 0.00 C ATOM 734 CD GLU A 47 -11.588 -5.048 6.092 1.00 0.00 C ATOM 735 OE1 GLU A 47 -12.732 -5.557 6.077 1.00 0.00 O ATOM 736 OE2 GLU A 47 -10.669 -5.467 6.827 1.00 0.00 O ATOM 0 H GLU A 47 -10.619 -3.378 2.650 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.068 -2.139 2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.310 -3.171 4.980 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.802 -4.273 3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.455 -4.120 4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.963 -3.018 5.789 1.00 0.00 H new ATOM 743 N ASP A 48 -11.059 -0.735 4.964 1.00 0.00 N ATOM 744 CA ASP A 48 -10.839 0.491 5.748 1.00 0.00 C ATOM 745 C ASP A 48 -10.568 1.684 4.823 1.00 0.00 C ATOM 746 O ASP A 48 -11.152 2.759 5.008 1.00 0.00 O ATOM 747 CB ASP A 48 -9.673 0.306 6.730 1.00 0.00 C ATOM 748 CG ASP A 48 -9.962 -0.729 7.804 1.00 0.00 C ATOM 749 OD1 ASP A 48 -10.923 -0.529 8.579 1.00 0.00 O ATOM 750 OD2 ASP A 48 -9.230 -1.738 7.868 1.00 0.00 O ATOM 0 H ASP A 48 -10.332 -1.440 5.083 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.745 0.693 6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.782 0.009 6.176 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.449 1.262 7.204 1.00 0.00 H new ATOM 755 N CYS A 49 -9.684 1.469 3.818 1.00 0.00 N ATOM 756 CA CYS A 49 -9.325 2.507 2.830 1.00 0.00 C ATOM 757 C CYS A 49 -10.586 3.198 2.277 1.00 0.00 C ATOM 758 O CYS A 49 -10.688 4.427 2.309 1.00 0.00 O ATOM 759 CB CYS A 49 -8.493 1.893 1.688 1.00 0.00 C ATOM 760 SG CYS A 49 -8.092 3.047 0.337 1.00 0.00 S ATOM 0 H CYS A 49 -9.206 0.580 3.673 1.00 0.00 H new ATOM 0 HA CYS A 49 -8.720 3.264 3.330 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -7.564 1.503 2.103 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -9.038 1.045 1.274 1.00 0.00 H new ATOM 765 N MET A 50 -11.550 2.392 1.798 1.00 0.00 N ATOM 766 CA MET A 50 -12.816 2.895 1.266 1.00 0.00 C ATOM 767 C MET A 50 -13.754 3.362 2.388 1.00 0.00 C ATOM 768 O MET A 50 -14.510 4.321 2.215 1.00 0.00 O ATOM 769 CB MET A 50 -13.491 1.798 0.445 1.00 0.00 C ATOM 770 CG MET A 50 -12.896 1.586 -0.946 1.00 0.00 C ATOM 771 SD MET A 50 -13.455 2.804 -2.163 1.00 0.00 S ATOM 772 CE MET A 50 -12.440 4.229 -1.772 1.00 0.00 C ATOM 0 H MET A 50 -11.468 1.376 1.772 1.00 0.00 H new ATOM 0 HA MET A 50 -12.603 3.756 0.633 1.00 0.00 H new ATOM 0 HB2 MET A 50 -13.432 0.860 0.998 1.00 0.00 H new ATOM 0 HB3 MET A 50 -14.549 2.040 0.340 1.00 0.00 H new ATOM 0 HG2 MET A 50 -11.809 1.625 -0.877 1.00 0.00 H new ATOM 0 HG3 MET A 50 -13.158 0.588 -1.296 1.00 0.00 H new ATOM 0 HE1 MET A 50 -13.041 5.135 -1.848 1.00 0.00 H new ATOM 0 HE2 MET A 50 -12.054 4.134 -0.757 1.00 0.00 H new ATOM 0 HE3 MET A 50 -11.607 4.286 -2.473 1.00 0.00 H new ATOM 782 N ARG A 51 -13.683 2.686 3.548 1.00 0.00 N ATOM 783 CA ARG A 51 -14.512 3.029 4.718 1.00 0.00 C ATOM 784 C ARG A 51 -14.240 4.470 5.189 1.00 0.00 C ATOM 785 O ARG A 51 -15.130 5.124 5.743 1.00 0.00 O ATOM 786 CB ARG A 51 -14.244 2.033 5.859 1.00 0.00 C ATOM 787 CG ARG A 51 -15.307 2.023 6.953 1.00 0.00 C ATOM 788 CD ARG A 51 -14.970 1.026 8.050 1.00 0.00 C ATOM 789 NE ARG A 51 -15.981 1.012 9.112 1.00 0.00 N ATOM 790 CZ ARG A 51 -15.934 0.233 10.202 1.00 0.00 C ATOM 791 NH1 ARG A 51 -14.925 -0.614 10.401 1.00 0.00 N ATOM 792 NH2 ARG A 51 -16.906 0.304 11.101 1.00 0.00 N ATOM 0 H ARG A 51 -13.057 1.895 3.701 1.00 0.00 H new ATOM 0 HA ARG A 51 -15.560 2.965 4.426 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -14.165 1.031 5.438 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.279 2.267 6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.398 3.021 7.382 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -16.275 1.774 6.519 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.884 0.029 7.619 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.999 1.273 8.478 1.00 0.00 H new ATOM 0 HE ARG A 51 -16.778 1.641 9.014 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.170 -0.678 9.718 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.907 -1.198 11.237 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.684 0.949 10.961 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.876 -0.286 11.932 1.00 0.00 H new ATOM 806 N THR A 52 -13.009 4.944 4.959 1.00 0.00 N ATOM 807 CA THR A 52 -12.610 6.294 5.349 1.00 0.00 C ATOM 808 C THR A 52 -12.619 7.240 4.134 1.00 0.00 C ATOM 809 O THR A 52 -13.225 8.315 4.191 1.00 0.00 O ATOM 810 CB THR A 52 -11.219 6.259 6.016 1.00 0.00 C ATOM 811 OG1 THR A 52 -11.142 5.202 6.956 1.00 0.00 O ATOM 812 CG2 THR A 52 -10.856 7.533 6.759 1.00 0.00 C ATOM 0 H THR A 52 -12.272 4.406 4.502 1.00 0.00 H new ATOM 0 HA THR A 52 -13.330 6.679 6.071 1.00 0.00 H new ATOM 0 HB THR A 52 -10.521 6.127 5.189 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.073 4.347 6.482 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.864 7.428 7.199 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.857 8.373 6.064 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.586 7.714 7.548 1.00 0.00 H new ATOM 820 N CYS A 53 -11.921 6.848 3.055 1.00 0.00 N ATOM 821 CA CYS A 53 -11.821 7.668 1.849 1.00 0.00 C ATOM 822 C CYS A 53 -12.729 7.189 0.695 1.00 0.00 C ATOM 823 O CYS A 53 -12.418 7.404 -0.468 1.00 0.00 O ATOM 824 CB CYS A 53 -10.362 7.722 1.377 1.00 0.00 C ATOM 825 SG CYS A 53 -9.148 6.824 2.396 1.00 0.00 S ATOM 0 H CYS A 53 -11.417 5.963 2.999 1.00 0.00 H new ATOM 0 HA CYS A 53 -12.172 8.663 2.123 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.316 7.326 0.362 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.058 8.767 1.325 1.00 0.00 H new ATOM 830 N GLY A 54 -13.852 6.558 1.013 1.00 0.00 N ATOM 831 CA GLY A 54 -14.771 6.087 -0.017 1.00 0.00 C ATOM 832 C GLY A 54 -16.223 6.193 0.408 1.00 0.00 C ATOM 833 O GLY A 54 -16.954 5.199 0.380 1.00 0.00 O ATOM 0 H GLY A 54 -14.148 6.361 1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.619 6.667 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.541 5.049 -0.258 1.00 0.00 H new ATOM 837 N GLY A 55 -16.631 7.403 0.800 1.00 0.00 N ATOM 838 CA GLY A 55 -18.001 7.640 1.233 1.00 0.00 C ATOM 839 C GLY A 55 -18.088 8.662 2.349 1.00 0.00 C ATOM 840 O GLY A 55 -18.637 9.750 2.156 1.00 0.00 O ATOM 0 H GLY A 55 -16.031 8.228 0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.593 7.982 0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.440 6.701 1.570 1.00 0.00 H new ATOM 844 N ALA A 56 -17.537 8.301 3.528 1.00 0.00 N ATOM 845 CA ALA A 56 -17.522 9.163 4.736 1.00 0.00 C ATOM 846 C ALA A 56 -18.931 9.443 5.268 1.00 0.00 C ATOM 847 O ALA A 56 -19.781 9.916 4.484 1.00 0.00 O ATOM 848 CB ALA A 56 -16.776 10.476 4.485 1.00 0.00 C ATOM 849 OXT ALA A 56 -19.170 9.184 6.467 1.00 0.00 O ATOM 0 H ALA A 56 -17.086 7.397 3.672 1.00 0.00 H new ATOM 0 HA ALA A 56 -16.984 8.605 5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.787 11.080 5.392 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.745 10.261 4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -17.264 11.024 3.679 1.00 0.00 H new TER 855 ALA A 56