USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=8 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 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -108:sc= 0.00495 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.318 K(o=0.32,f=-14!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.016) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -173:sc= -2.55! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.943 K(o=-0.94,f=-11!) USER MOD Single : A 44 ASN : amide:sc= -3.94! C(o=-3.9!,f=-8.3!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= -0.383 (180deg=-0.383) USER MOD Single : A 47 SER OG : rot 60:sc= 1.05 USER MOD Single : A 54 THR OG1 : rot 145:sc= 0.548 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 2 -7.081 -11.415 -0.020 1.00 0.00 N ATOM 28 CA PRO A 2 -8.312 -10.637 0.134 1.00 0.00 C ATOM 29 C PRO A 2 -8.608 -9.785 -1.097 1.00 0.00 C ATOM 30 O PRO A 2 -7.707 -9.446 -1.863 1.00 0.00 O ATOM 31 CB PRO A 2 -8.040 -9.741 1.346 1.00 0.00 C ATOM 32 CG PRO A 2 -6.871 -10.348 2.044 1.00 0.00 C ATOM 33 CD PRO A 2 -6.067 -11.051 0.985 1.00 0.00 C ATOM 0 HA PRO A 2 -9.181 -11.282 0.261 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.823 -8.719 1.036 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.909 -9.697 2.003 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.275 -9.583 2.541 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.198 -11.048 2.813 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.299 -10.402 0.565 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.559 -11.930 1.382 1.00 0.00 H new ATOM 41 N ASP A 3 -9.878 -9.448 -1.286 1.00 0.00 N ATOM 42 CA ASP A 3 -10.300 -8.645 -2.429 1.00 0.00 C ATOM 43 C ASP A 3 -9.451 -7.383 -2.581 1.00 0.00 C ATOM 44 O ASP A 3 -8.827 -7.165 -3.619 1.00 0.00 O ATOM 45 CB ASP A 3 -11.773 -8.258 -2.287 1.00 0.00 C ATOM 46 CG ASP A 3 -12.704 -9.432 -2.522 1.00 0.00 C ATOM 47 OD1 ASP A 3 -12.589 -10.077 -3.585 1.00 0.00 O ATOM 48 OD2 ASP A 3 -13.548 -9.706 -1.643 1.00 0.00 O ATOM 0 H ASP A 3 -10.637 -9.719 -0.660 1.00 0.00 H new ATOM 0 HA ASP A 3 -10.164 -9.253 -3.323 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.945 -7.855 -1.289 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.007 -7.464 -2.996 1.00 0.00 H new ATOM 53 N PHE A 4 -9.442 -6.547 -1.546 1.00 0.00 N ATOM 54 CA PHE A 4 -8.695 -5.302 -1.570 1.00 0.00 C ATOM 55 C PHE A 4 -7.228 -5.515 -1.941 1.00 0.00 C ATOM 56 O PHE A 4 -6.569 -4.594 -2.422 1.00 0.00 O ATOM 57 CB PHE A 4 -8.802 -4.617 -0.211 1.00 0.00 C ATOM 58 CG PHE A 4 -8.153 -5.380 0.905 1.00 0.00 C ATOM 59 CD1 PHE A 4 -6.785 -5.314 1.109 1.00 0.00 C ATOM 60 CD2 PHE A 4 -8.915 -6.162 1.755 1.00 0.00 C ATOM 61 CE1 PHE A 4 -6.190 -6.014 2.138 1.00 0.00 C ATOM 62 CE2 PHE A 4 -8.326 -6.864 2.787 1.00 0.00 C ATOM 63 CZ PHE A 4 -6.962 -6.791 2.979 1.00 0.00 C ATOM 0 H PHE A 4 -9.949 -6.715 -0.677 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.131 -4.666 -2.341 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.346 -3.629 -0.276 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.855 -4.467 0.028 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.177 -4.707 0.455 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.983 -6.224 1.609 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.122 -5.954 2.286 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -8.933 -7.470 3.444 1.00 0.00 H new ATOM 0 HZ PHE A 4 -6.499 -7.340 3.785 1.00 0.00 H new ATOM 73 N CYS A 5 -6.715 -6.724 -1.727 1.00 0.00 N ATOM 74 CA CYS A 5 -5.322 -7.014 -2.059 1.00 0.00 C ATOM 75 C CYS A 5 -5.051 -6.733 -3.536 1.00 0.00 C ATOM 76 O CYS A 5 -3.913 -6.484 -3.932 1.00 0.00 O ATOM 77 CB CYS A 5 -4.969 -8.466 -1.728 1.00 0.00 C ATOM 78 SG CYS A 5 -3.256 -8.923 -2.141 1.00 0.00 S ATOM 0 H CYS A 5 -7.233 -7.508 -1.331 1.00 0.00 H new ATOM 0 HA CYS A 5 -4.693 -6.360 -1.455 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.133 -8.636 -0.664 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -5.650 -9.126 -2.265 1.00 0.00 H new ATOM 83 N LEU A 6 -6.110 -6.762 -4.345 1.00 0.00 N ATOM 84 CA LEU A 6 -5.991 -6.500 -5.777 1.00 0.00 C ATOM 85 C LEU A 6 -6.113 -5.007 -6.080 1.00 0.00 C ATOM 86 O LEU A 6 -6.425 -4.621 -7.206 1.00 0.00 O ATOM 87 CB LEU A 6 -7.067 -7.267 -6.548 1.00 0.00 C ATOM 88 CG LEU A 6 -7.198 -8.750 -6.190 1.00 0.00 C ATOM 89 CD1 LEU A 6 -8.661 -9.165 -6.156 1.00 0.00 C ATOM 90 CD2 LEU A 6 -6.421 -9.607 -7.179 1.00 0.00 C ATOM 0 H LEU A 6 -7.059 -6.964 -4.032 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.005 -6.838 -6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.028 -6.783 -6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.855 -7.185 -7.614 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.776 -8.903 -5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.734 -10.222 -5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.190 -8.573 -5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.110 -8.997 -7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.525 -10.658 -6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.813 -9.449 -8.184 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.368 -9.328 -7.153 1.00 0.00 H new ATOM 102 N GLU A 7 -5.872 -4.171 -5.074 1.00 0.00 N ATOM 103 CA GLU A 7 -5.960 -2.727 -5.245 1.00 0.00 C ATOM 104 C GLU A 7 -4.567 -2.107 -5.349 1.00 0.00 C ATOM 105 O GLU A 7 -3.731 -2.300 -4.466 1.00 0.00 O ATOM 106 CB GLU A 7 -6.724 -2.103 -4.075 1.00 0.00 C ATOM 107 CG GLU A 7 -7.191 -0.679 -4.337 1.00 0.00 C ATOM 108 CD GLU A 7 -6.443 0.351 -3.512 1.00 0.00 C ATOM 109 OE1 GLU A 7 -5.697 -0.048 -2.592 1.00 0.00 O ATOM 110 OE2 GLU A 7 -6.602 1.560 -3.785 1.00 0.00 O ATOM 0 H GLU A 7 -5.615 -4.470 -4.133 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.498 -2.525 -6.171 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.591 -2.724 -3.847 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.086 -2.109 -3.191 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.065 -0.450 -5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.257 -0.606 -4.120 1.00 0.00 H new ATOM 117 N PRO A 8 -4.298 -1.344 -6.425 1.00 0.00 N ATOM 118 CA PRO A 8 -2.997 -0.695 -6.619 1.00 0.00 C ATOM 119 C PRO A 8 -2.729 0.365 -5.559 1.00 0.00 C ATOM 120 O PRO A 8 -3.603 0.677 -4.750 1.00 0.00 O ATOM 121 CB PRO A 8 -3.115 -0.051 -8.004 1.00 0.00 C ATOM 122 CG PRO A 8 -4.579 0.109 -8.230 1.00 0.00 C ATOM 123 CD PRO A 8 -5.235 -1.043 -7.524 1.00 0.00 C ATOM 0 HA PRO A 8 -2.171 -1.402 -6.540 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.603 0.911 -8.037 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.663 -0.679 -8.772 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.933 1.061 -7.835 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.813 0.099 -9.295 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.223 -0.775 -7.149 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.367 -1.899 -8.186 1.00 0.00 H new ATOM 131 N PRO A 9 -1.522 0.957 -5.556 1.00 0.00 N ATOM 132 CA PRO A 9 -1.172 1.997 -4.591 1.00 0.00 C ATOM 133 C PRO A 9 -1.908 3.297 -4.885 1.00 0.00 C ATOM 134 O PRO A 9 -2.417 3.493 -5.988 1.00 0.00 O ATOM 135 CB PRO A 9 0.338 2.159 -4.770 1.00 0.00 C ATOM 136 CG PRO A 9 0.607 1.728 -6.171 1.00 0.00 C ATOM 137 CD PRO A 9 -0.424 0.678 -6.501 1.00 0.00 C ATOM 0 HA PRO A 9 -1.450 1.736 -3.570 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.646 3.192 -4.608 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.888 1.547 -4.056 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.535 2.572 -6.857 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.615 1.325 -6.266 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.757 0.755 -7.536 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.027 -0.328 -6.368 1.00 0.00 H new ATOM 145 N TYR A 10 -1.988 4.173 -3.891 1.00 0.00 N ATOM 146 CA TYR A 10 -2.691 5.441 -4.058 1.00 0.00 C ATOM 147 C TYR A 10 -2.073 6.541 -3.201 1.00 0.00 C ATOM 148 O TYR A 10 -2.127 6.491 -1.973 1.00 0.00 O ATOM 149 CB TYR A 10 -4.163 5.258 -3.688 1.00 0.00 C ATOM 150 CG TYR A 10 -5.060 6.387 -4.136 1.00 0.00 C ATOM 151 CD1 TYR A 10 -5.295 6.621 -5.486 1.00 0.00 C ATOM 152 CD2 TYR A 10 -5.672 7.219 -3.209 1.00 0.00 C ATOM 153 CE1 TYR A 10 -6.114 7.655 -5.895 1.00 0.00 C ATOM 154 CE2 TYR A 10 -6.493 8.253 -3.610 1.00 0.00 C ATOM 155 CZ TYR A 10 -6.711 8.468 -4.955 1.00 0.00 C ATOM 156 OH TYR A 10 -7.527 9.497 -5.361 1.00 0.00 O ATOM 0 H TYR A 10 -1.579 4.032 -2.967 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.605 5.745 -5.101 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.523 4.327 -4.127 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.243 5.153 -2.606 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.831 5.985 -6.225 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.503 7.054 -2.155 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.286 7.826 -6.947 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.962 8.890 -2.875 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.869 9.973 -4.575 1.00 0.00 H new ATOM 166 N THR A 11 -1.495 7.538 -3.863 1.00 0.00 N ATOM 167 CA THR A 11 -0.870 8.663 -3.173 1.00 0.00 C ATOM 168 C THR A 11 -1.894 9.757 -2.866 1.00 0.00 C ATOM 169 O THR A 11 -1.607 10.693 -2.123 1.00 0.00 O ATOM 170 CB THR A 11 0.261 9.235 -4.029 1.00 0.00 C ATOM 171 OG1 THR A 11 1.232 8.241 -4.306 1.00 0.00 O ATOM 172 CG2 THR A 11 0.975 10.405 -3.387 1.00 0.00 C ATOM 0 H THR A 11 -1.446 7.590 -4.880 1.00 0.00 H new ATOM 0 HA THR A 11 -0.463 8.301 -2.229 1.00 0.00 H new ATOM 0 HB THR A 11 -0.222 9.585 -4.941 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.044 8.424 -3.789 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.764 10.758 -4.051 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.264 11.211 -3.207 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.412 10.089 -2.440 1.00 0.00 H new ATOM 180 N GLY A 12 -3.093 9.628 -3.436 1.00 0.00 N ATOM 181 CA GLY A 12 -4.139 10.590 -3.203 1.00 0.00 C ATOM 182 C GLY A 12 -3.714 12.027 -3.445 1.00 0.00 C ATOM 183 O GLY A 12 -2.539 12.301 -3.688 1.00 0.00 O ATOM 0 H GLY A 12 -3.351 8.863 -4.060 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.985 10.357 -3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.488 10.492 -2.175 1.00 0.00 H new ATOM 187 N PRO A 13 -4.666 12.976 -3.389 1.00 0.00 N ATOM 188 CA PRO A 13 -4.386 14.393 -3.608 1.00 0.00 C ATOM 189 C PRO A 13 -3.662 15.026 -2.425 1.00 0.00 C ATOM 190 O PRO A 13 -4.219 15.862 -1.713 1.00 0.00 O ATOM 191 CB PRO A 13 -5.778 15.026 -3.794 1.00 0.00 C ATOM 192 CG PRO A 13 -6.748 13.889 -3.829 1.00 0.00 C ATOM 193 CD PRO A 13 -6.090 12.746 -3.113 1.00 0.00 C ATOM 0 HA PRO A 13 -3.727 14.546 -4.463 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.008 15.710 -2.977 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.823 15.605 -4.716 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.685 14.163 -3.344 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -6.989 13.616 -4.856 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.304 12.760 -2.044 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.426 11.781 -3.493 1.00 0.00 H new ATOM 201 N CYS A 14 -2.413 14.621 -2.221 1.00 0.00 N ATOM 202 CA CYS A 14 -1.604 15.152 -1.131 1.00 0.00 C ATOM 203 C CYS A 14 -0.187 15.425 -1.609 1.00 0.00 C ATOM 204 O CYS A 14 0.181 15.076 -2.731 1.00 0.00 O ATOM 205 CB CYS A 14 -1.596 14.193 0.062 1.00 0.00 C ATOM 206 SG CYS A 14 -2.668 14.718 1.432 1.00 0.00 S ATOM 0 H CYS A 14 -1.939 13.926 -2.797 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.047 16.092 -0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.911 13.205 -0.275 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.575 14.094 0.430 1.00 0.00 H new ATOM 211 N ARG A 15 0.590 16.088 -0.767 1.00 0.00 N ATOM 212 CA ARG A 15 1.960 16.445 -1.111 1.00 0.00 C ATOM 213 C ARG A 15 2.970 15.922 -0.090 1.00 0.00 C ATOM 214 O ARG A 15 4.173 16.131 -0.244 1.00 0.00 O ATOM 215 CB ARG A 15 2.084 17.963 -1.235 1.00 0.00 C ATOM 216 CG ARG A 15 2.022 18.688 0.100 1.00 0.00 C ATOM 217 CD ARG A 15 1.102 19.898 0.042 1.00 0.00 C ATOM 218 NE ARG A 15 1.813 21.140 0.337 1.00 0.00 N ATOM 219 CZ ARG A 15 2.336 21.429 1.527 1.00 0.00 C ATOM 220 NH1 ARG A 15 2.227 20.571 2.534 1.00 0.00 N ATOM 221 NH2 ARG A 15 2.970 22.579 1.710 1.00 0.00 N ATOM 0 H ARG A 15 0.296 16.391 0.162 1.00 0.00 H new ATOM 0 HA ARG A 15 2.190 15.973 -2.066 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.027 18.204 -1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.286 18.333 -1.878 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.672 18.001 0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.024 19.006 0.388 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.652 19.964 -0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.287 19.769 0.754 1.00 0.00 H new ATOM 0 HE ARG A 15 1.915 21.825 -0.412 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.741 19.685 2.399 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.630 20.798 3.443 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.057 23.242 0.939 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.371 22.801 2.621 1.00 0.00 H new ATOM 235 N VAL A 16 2.490 15.245 0.950 1.00 0.00 N ATOM 236 CA VAL A 16 3.389 14.710 1.969 1.00 0.00 C ATOM 237 C VAL A 16 4.089 13.458 1.464 1.00 0.00 C ATOM 238 O VAL A 16 3.629 12.813 0.521 1.00 0.00 O ATOM 239 CB VAL A 16 2.675 14.375 3.299 1.00 0.00 C ATOM 240 CG1 VAL A 16 3.557 14.750 4.480 1.00 0.00 C ATOM 241 CG2 VAL A 16 1.321 15.068 3.399 1.00 0.00 C ATOM 0 H VAL A 16 1.500 15.056 1.109 1.00 0.00 H new ATOM 0 HA VAL A 16 4.113 15.500 2.168 1.00 0.00 H new ATOM 0 HB VAL A 16 2.495 13.300 3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.042 14.509 5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.492 14.192 4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.770 15.819 4.450 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.849 14.809 4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.460 16.148 3.346 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.684 14.743 2.576 1.00 0.00 H new ATOM 251 N ARG A 17 5.197 13.114 2.105 1.00 0.00 N ATOM 252 CA ARG A 17 5.974 11.939 1.726 1.00 0.00 C ATOM 253 C ARG A 17 5.794 10.806 2.731 1.00 0.00 C ATOM 254 O ARG A 17 6.455 10.774 3.769 1.00 0.00 O ATOM 255 CB ARG A 17 7.455 12.307 1.616 1.00 0.00 C ATOM 256 CG ARG A 17 8.316 11.213 1.007 1.00 0.00 C ATOM 257 CD ARG A 17 9.729 11.708 0.739 1.00 0.00 C ATOM 258 NE ARG A 17 10.537 10.712 0.039 1.00 0.00 N ATOM 259 CZ ARG A 17 11.645 11.002 -0.638 1.00 0.00 C ATOM 260 NH1 ARG A 17 12.080 12.255 -0.710 1.00 0.00 N ATOM 261 NH2 ARG A 17 12.323 10.037 -1.244 1.00 0.00 N ATOM 0 H ARG A 17 5.581 13.634 2.894 1.00 0.00 H new ATOM 0 HA ARG A 17 5.611 11.593 0.758 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.551 13.210 1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.835 12.545 2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.350 10.356 1.680 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.866 10.869 0.076 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.686 12.621 0.146 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.208 11.964 1.684 1.00 0.00 H new ATOM 0 HE ARG A 17 10.234 9.739 0.071 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.564 13.002 -0.245 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.930 12.471 -1.231 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.995 9.073 -1.191 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.172 10.259 -1.763 1.00 0.00 H new ATOM 275 N ILE A 18 4.907 9.870 2.406 1.00 0.00 N ATOM 276 CA ILE A 18 4.649 8.726 3.272 1.00 0.00 C ATOM 277 C ILE A 18 4.939 7.421 2.538 1.00 0.00 C ATOM 278 O ILE A 18 4.145 6.971 1.713 1.00 0.00 O ATOM 279 CB ILE A 18 3.188 8.716 3.772 1.00 0.00 C ATOM 280 CG1 ILE A 18 2.861 10.039 4.477 1.00 0.00 C ATOM 281 CG2 ILE A 18 2.945 7.531 4.697 1.00 0.00 C ATOM 282 CD1 ILE A 18 1.521 10.051 5.187 1.00 0.00 C ATOM 0 H ILE A 18 4.355 9.882 1.548 1.00 0.00 H new ATOM 0 HA ILE A 18 5.312 8.815 4.133 1.00 0.00 H new ATOM 0 HB ILE A 18 2.525 8.611 2.913 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.646 10.255 5.202 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.877 10.843 3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.910 7.542 5.038 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.140 6.603 4.159 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.611 7.598 5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.368 11.022 5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.725 9.869 4.465 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.506 9.271 5.948 1.00 0.00 H new ATOM 294 N ILE A 19 6.082 6.819 2.842 1.00 0.00 N ATOM 295 CA ILE A 19 6.477 5.571 2.219 1.00 0.00 C ATOM 296 C ILE A 19 5.564 4.443 2.669 1.00 0.00 C ATOM 297 O ILE A 19 5.865 3.722 3.621 1.00 0.00 O ATOM 298 CB ILE A 19 7.934 5.218 2.568 1.00 0.00 C ATOM 299 CG1 ILE A 19 8.878 6.336 2.124 1.00 0.00 C ATOM 300 CG2 ILE A 19 8.336 3.895 1.931 1.00 0.00 C ATOM 301 CD1 ILE A 19 8.790 6.649 0.646 1.00 0.00 C ATOM 0 H ILE A 19 6.752 7.181 3.521 1.00 0.00 H new ATOM 0 HA ILE A 19 6.394 5.697 1.139 1.00 0.00 H new ATOM 0 HB ILE A 19 8.009 5.112 3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 19 8.652 7.238 2.692 1.00 0.00 H new ATOM 0 HG13 ILE A 19 9.902 6.054 2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.369 3.665 2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.685 3.102 2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.242 3.969 0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.487 7.451 0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.045 5.759 0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.775 6.962 0.400 1.00 0.00 H new ATOM 313 N ARG A 20 4.444 4.301 1.978 1.00 0.00 N ATOM 314 CA ARG A 20 3.476 3.262 2.301 1.00 0.00 C ATOM 315 C ARG A 20 3.788 1.985 1.536 1.00 0.00 C ATOM 316 O ARG A 20 4.629 1.981 0.639 1.00 0.00 O ATOM 317 CB ARG A 20 2.057 3.735 1.985 1.00 0.00 C ATOM 318 CG ARG A 20 1.473 4.666 3.035 1.00 0.00 C ATOM 319 CD ARG A 20 1.307 3.957 4.371 1.00 0.00 C ATOM 320 NE ARG A 20 1.694 4.804 5.497 1.00 0.00 N ATOM 321 CZ ARG A 20 0.842 5.563 6.187 1.00 0.00 C ATOM 322 NH1 ARG A 20 -0.447 5.592 5.867 1.00 0.00 N ATOM 323 NH2 ARG A 20 1.280 6.297 7.199 1.00 0.00 N ATOM 0 H ARG A 20 4.182 4.892 1.189 1.00 0.00 H new ATOM 0 HA ARG A 20 3.543 3.052 3.368 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.060 4.245 1.022 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.408 2.865 1.883 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.123 5.532 3.159 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.507 5.039 2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.268 3.649 4.490 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.911 3.050 4.376 1.00 0.00 H new ATOM 0 HE ARG A 20 2.676 4.815 5.772 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.792 5.031 5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.092 6.175 6.400 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.269 6.281 7.450 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.629 6.878 7.727 1.00 0.00 H new ATOM 337 N TYR A 21 3.114 0.900 1.902 1.00 0.00 N ATOM 338 CA TYR A 21 3.330 -0.390 1.252 1.00 0.00 C ATOM 339 C TYR A 21 2.059 -0.882 0.565 1.00 0.00 C ATOM 340 O TYR A 21 0.951 -0.627 1.036 1.00 0.00 O ATOM 341 CB TYR A 21 3.788 -1.417 2.287 1.00 0.00 C ATOM 342 CG TYR A 21 5.235 -1.270 2.689 1.00 0.00 C ATOM 343 CD1 TYR A 21 6.245 -1.900 1.973 1.00 0.00 C ATOM 344 CD2 TYR A 21 5.590 -0.501 3.787 1.00 0.00 C ATOM 345 CE1 TYR A 21 7.570 -1.766 2.343 1.00 0.00 C ATOM 346 CE2 TYR A 21 6.911 -0.361 4.164 1.00 0.00 C ATOM 347 CZ TYR A 21 7.898 -0.996 3.440 1.00 0.00 C ATOM 348 OH TYR A 21 9.215 -0.860 3.813 1.00 0.00 O ATOM 0 H TYR A 21 2.414 0.887 2.644 1.00 0.00 H new ATOM 0 HA TYR A 21 4.101 -0.264 0.491 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.163 -1.328 3.175 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.632 -2.418 1.886 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.991 -2.504 1.114 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.820 -0.003 4.357 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.345 -2.261 1.776 1.00 0.00 H new ATOM 0 HE2 TYR A 21 7.170 0.243 5.021 1.00 0.00 H new ATOM 0 HH TYR A 21 9.273 -0.285 4.604 1.00 0.00 H new ATOM 358 N PHE A 22 2.225 -1.604 -0.542 1.00 0.00 N ATOM 359 CA PHE A 22 1.086 -2.148 -1.280 1.00 0.00 C ATOM 360 C PHE A 22 1.441 -3.488 -1.905 1.00 0.00 C ATOM 361 O PHE A 22 2.595 -3.908 -1.887 1.00 0.00 O ATOM 362 CB PHE A 22 0.627 -1.181 -2.375 1.00 0.00 C ATOM 363 CG PHE A 22 1.525 -1.161 -3.583 1.00 0.00 C ATOM 364 CD1 PHE A 22 2.777 -0.569 -3.526 1.00 0.00 C ATOM 365 CD2 PHE A 22 1.119 -1.748 -4.771 1.00 0.00 C ATOM 366 CE1 PHE A 22 3.605 -0.563 -4.632 1.00 0.00 C ATOM 367 CE2 PHE A 22 1.943 -1.746 -5.880 1.00 0.00 C ATOM 368 CZ PHE A 22 3.189 -1.152 -5.811 1.00 0.00 C ATOM 0 H PHE A 22 3.135 -1.825 -0.947 1.00 0.00 H new ATOM 0 HA PHE A 22 0.271 -2.288 -0.570 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.381 -1.453 -2.688 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.571 -0.175 -1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.109 -0.108 -2.608 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.146 -2.213 -4.831 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.578 -0.098 -4.575 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.614 -2.208 -6.799 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.836 -1.148 -6.676 1.00 0.00 H new ATOM 378 N TYR A 23 0.438 -4.138 -2.477 1.00 0.00 N ATOM 379 CA TYR A 23 0.623 -5.434 -3.133 1.00 0.00 C ATOM 380 C TYR A 23 0.626 -5.271 -4.650 1.00 0.00 C ATOM 381 O TYR A 23 -0.430 -5.142 -5.270 1.00 0.00 O ATOM 382 CB TYR A 23 -0.493 -6.394 -2.715 1.00 0.00 C ATOM 383 CG TYR A 23 -0.377 -7.757 -3.354 1.00 0.00 C ATOM 384 CD1 TYR A 23 0.597 -8.658 -2.940 1.00 0.00 C ATOM 385 CD2 TYR A 23 -1.234 -8.141 -4.377 1.00 0.00 C ATOM 386 CE1 TYR A 23 0.712 -9.902 -3.528 1.00 0.00 C ATOM 387 CE2 TYR A 23 -1.126 -9.386 -4.969 1.00 0.00 C ATOM 388 CZ TYR A 23 -0.152 -10.262 -4.541 1.00 0.00 C ATOM 389 OH TYR A 23 -0.041 -11.501 -5.128 1.00 0.00 O ATOM 0 H TYR A 23 -0.520 -3.790 -2.502 1.00 0.00 H new ATOM 0 HA TYR A 23 1.585 -5.845 -2.825 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.480 -6.506 -1.631 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.456 -5.957 -2.978 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.274 -8.381 -2.146 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.997 -7.456 -4.716 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.475 -10.590 -3.196 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.801 -9.670 -5.762 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.725 -11.596 -5.823 1.00 0.00 H new ATOM 399 N ASN A 24 1.815 -5.280 -5.247 1.00 0.00 N ATOM 400 CA ASN A 24 1.946 -5.131 -6.688 1.00 0.00 C ATOM 401 C ASN A 24 1.473 -6.389 -7.412 1.00 0.00 C ATOM 402 O ASN A 24 1.981 -7.484 -7.172 1.00 0.00 O ATOM 403 CB ASN A 24 3.401 -4.822 -7.040 1.00 0.00 C ATOM 404 CG ASN A 24 3.566 -4.377 -8.481 1.00 0.00 C ATOM 405 OD1 ASN A 24 3.783 -5.196 -9.372 1.00 0.00 O ATOM 406 ND2 ASN A 24 3.459 -3.075 -8.715 1.00 0.00 N ATOM 0 H ASN A 24 2.700 -5.389 -4.752 1.00 0.00 H new ATOM 0 HA ASN A 24 1.316 -4.304 -7.015 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.774 -4.042 -6.377 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.010 -5.708 -6.864 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.557 -2.718 -9.665 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.278 -2.432 -7.944 1.00 0.00 H new ATOM 413 N ALA A 25 0.491 -6.223 -8.297 1.00 0.00 N ATOM 414 CA ALA A 25 -0.060 -7.344 -9.056 1.00 0.00 C ATOM 415 C ALA A 25 0.746 -7.623 -10.325 1.00 0.00 C ATOM 416 O ALA A 25 0.326 -8.408 -11.174 1.00 0.00 O ATOM 417 CB ALA A 25 -1.515 -7.077 -9.406 1.00 0.00 C ATOM 0 H ALA A 25 0.061 -5.322 -8.506 1.00 0.00 H new ATOM 0 HA ALA A 25 0.002 -8.231 -8.425 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.914 -7.919 -9.971 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.092 -6.949 -8.490 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.584 -6.171 -10.008 1.00 0.00 H new ATOM 423 N LYS A 26 1.912 -6.993 -10.438 1.00 0.00 N ATOM 424 CA LYS A 26 2.785 -7.189 -11.592 1.00 0.00 C ATOM 425 C LYS A 26 3.993 -8.009 -11.169 1.00 0.00 C ATOM 426 O LYS A 26 4.449 -8.896 -11.890 1.00 0.00 O ATOM 427 CB LYS A 26 3.231 -5.840 -12.165 1.00 0.00 C ATOM 428 CG LYS A 26 2.529 -5.467 -13.460 1.00 0.00 C ATOM 429 CD LYS A 26 3.520 -5.237 -14.591 1.00 0.00 C ATOM 430 CE LYS A 26 2.960 -4.286 -15.636 1.00 0.00 C ATOM 431 NZ LYS A 26 3.907 -4.084 -16.767 1.00 0.00 N ATOM 0 H LYS A 26 2.275 -6.341 -9.743 1.00 0.00 H new ATOM 0 HA LYS A 26 2.238 -7.722 -12.370 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.047 -5.062 -11.425 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.307 -5.866 -12.339 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.835 -6.260 -13.739 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.937 -4.565 -13.306 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.447 -4.831 -14.187 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.767 -6.190 -15.059 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.018 -4.680 -16.017 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.739 -3.325 -15.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.488 -3.429 -17.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.797 -3.685 -16.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.098 -4.997 -17.227 1.00 0.00 H new ATOM 445 N ALA A 27 4.478 -7.718 -9.969 1.00 0.00 N ATOM 446 CA ALA A 27 5.608 -8.429 -9.397 1.00 0.00 C ATOM 447 C ALA A 27 5.119 -9.446 -8.370 1.00 0.00 C ATOM 448 O ALA A 27 5.873 -10.319 -7.937 1.00 0.00 O ATOM 449 CB ALA A 27 6.585 -7.450 -8.762 1.00 0.00 C ATOM 0 H ALA A 27 4.099 -6.985 -9.369 1.00 0.00 H new ATOM 0 HA ALA A 27 6.129 -8.961 -10.192 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.426 -7.999 -8.338 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.949 -6.756 -9.520 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.080 -6.893 -7.973 1.00 0.00 H new ATOM 455 N GLY A 28 3.841 -9.333 -7.992 1.00 0.00 N ATOM 456 CA GLY A 28 3.262 -10.242 -7.047 1.00 0.00 C ATOM 457 C GLY A 28 3.746 -10.049 -5.628 1.00 0.00 C ATOM 458 O GLY A 28 3.321 -10.756 -4.715 1.00 0.00 O ATOM 0 H GLY A 28 3.203 -8.615 -8.336 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.178 -10.129 -7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.483 -11.263 -7.359 1.00 0.00 H new ATOM 462 N LEU A 29 4.634 -9.097 -5.446 1.00 0.00 N ATOM 463 CA LEU A 29 5.187 -8.806 -4.129 1.00 0.00 C ATOM 464 C LEU A 29 4.723 -7.445 -3.627 1.00 0.00 C ATOM 465 O LEU A 29 4.136 -6.661 -4.374 1.00 0.00 O ATOM 466 CB LEU A 29 6.717 -8.855 -4.162 1.00 0.00 C ATOM 467 CG LEU A 29 7.377 -7.939 -5.195 1.00 0.00 C ATOM 468 CD1 LEU A 29 7.851 -6.651 -4.542 1.00 0.00 C ATOM 469 CD2 LEU A 29 8.538 -8.650 -5.872 1.00 0.00 C ATOM 0 H LEU A 29 4.994 -8.505 -6.194 1.00 0.00 H new ATOM 0 HA LEU A 29 4.823 -9.570 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.094 -8.592 -3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.027 -9.881 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 29 6.636 -7.687 -5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.317 -6.013 -5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.000 -6.131 -4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.576 -6.884 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.996 -7.984 -6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.279 -8.931 -5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.173 -9.545 -6.375 1.00 0.00 H new ATOM 481 N CYS A 30 4.990 -7.170 -2.358 1.00 0.00 N ATOM 482 CA CYS A 30 4.601 -5.915 -1.752 1.00 0.00 C ATOM 483 C CYS A 30 5.692 -4.863 -1.933 1.00 0.00 C ATOM 484 O CYS A 30 6.842 -5.078 -1.554 1.00 0.00 O ATOM 485 CB CYS A 30 4.313 -6.136 -0.269 1.00 0.00 C ATOM 486 SG CYS A 30 2.629 -6.745 0.080 1.00 0.00 S ATOM 0 H CYS A 30 5.478 -7.807 -1.729 1.00 0.00 H new ATOM 0 HA CYS A 30 3.700 -5.549 -2.244 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.035 -6.849 0.128 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.466 -5.197 0.264 1.00 0.00 H new ATOM 491 N GLN A 31 5.322 -3.725 -2.512 1.00 0.00 N ATOM 492 CA GLN A 31 6.273 -2.643 -2.741 1.00 0.00 C ATOM 493 C GLN A 31 5.838 -1.377 -2.018 1.00 0.00 C ATOM 494 O GLN A 31 4.738 -1.308 -1.474 1.00 0.00 O ATOM 495 CB GLN A 31 6.418 -2.360 -4.239 1.00 0.00 C ATOM 496 CG GLN A 31 6.910 -3.547 -5.052 1.00 0.00 C ATOM 497 CD GLN A 31 7.347 -3.152 -6.450 1.00 0.00 C ATOM 498 OE1 GLN A 31 6.903 -3.734 -7.439 1.00 0.00 O ATOM 499 NE2 GLN A 31 8.224 -2.158 -6.539 1.00 0.00 N ATOM 0 H GLN A 31 4.373 -3.529 -2.830 1.00 0.00 H new ATOM 0 HA GLN A 31 7.238 -2.958 -2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.453 -2.039 -4.632 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.110 -1.529 -4.375 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.745 -4.018 -4.533 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.116 -4.291 -5.119 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.566 -1.703 -5.693 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.555 -1.850 -7.453 1.00 0.00 H new ATOM 508 N THR A 32 6.707 -0.376 -2.022 1.00 0.00 N ATOM 509 CA THR A 32 6.413 0.890 -1.361 1.00 0.00 C ATOM 510 C THR A 32 6.119 1.998 -2.364 1.00 0.00 C ATOM 511 O THR A 32 6.339 1.845 -3.565 1.00 0.00 O ATOM 512 CB THR A 32 7.585 1.311 -0.468 1.00 0.00 C ATOM 513 OG1 THR A 32 8.555 2.024 -1.216 1.00 0.00 O ATOM 514 CG2 THR A 32 8.289 0.148 0.197 1.00 0.00 C ATOM 0 H THR A 32 7.620 -0.415 -2.475 1.00 0.00 H new ATOM 0 HA THR A 32 5.522 0.736 -0.752 1.00 0.00 H new ATOM 0 HB THR A 32 7.140 1.935 0.307 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.294 2.285 -0.628 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.107 0.522 0.813 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.582 -0.395 0.824 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.686 -0.521 -0.566 1.00 0.00 H new ATOM 522 N PHE A 33 5.627 3.121 -1.849 1.00 0.00 N ATOM 523 CA PHE A 33 5.315 4.278 -2.678 1.00 0.00 C ATOM 524 C PHE A 33 5.275 5.539 -1.830 1.00 0.00 C ATOM 525 O PHE A 33 5.182 5.476 -0.605 1.00 0.00 O ATOM 526 CB PHE A 33 3.991 4.098 -3.427 1.00 0.00 C ATOM 527 CG PHE A 33 2.801 3.855 -2.540 1.00 0.00 C ATOM 528 CD1 PHE A 33 2.805 2.833 -1.604 1.00 0.00 C ATOM 529 CD2 PHE A 33 1.675 4.656 -2.644 1.00 0.00 C ATOM 530 CE1 PHE A 33 1.712 2.619 -0.789 1.00 0.00 C ATOM 531 CE2 PHE A 33 0.579 4.444 -1.831 1.00 0.00 C ATOM 532 CZ PHE A 33 0.598 3.423 -0.902 1.00 0.00 C ATOM 0 H PHE A 33 5.435 3.253 -0.856 1.00 0.00 H new ATOM 0 HA PHE A 33 6.105 4.374 -3.423 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.804 4.988 -4.028 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.090 3.261 -4.118 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.673 2.197 -1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.654 5.456 -3.370 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.729 1.821 -0.062 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.292 5.076 -1.922 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.258 3.255 -0.265 1.00 0.00 H new ATOM 542 N VAL A 34 5.367 6.682 -2.491 1.00 0.00 N ATOM 543 CA VAL A 34 5.361 7.965 -1.804 1.00 0.00 C ATOM 544 C VAL A 34 3.945 8.498 -1.645 1.00 0.00 C ATOM 545 O VAL A 34 3.556 9.464 -2.301 1.00 0.00 O ATOM 546 CB VAL A 34 6.215 9.004 -2.554 1.00 0.00 C ATOM 547 CG1 VAL A 34 6.296 10.304 -1.765 1.00 0.00 C ATOM 548 CG2 VAL A 34 7.606 8.453 -2.829 1.00 0.00 C ATOM 0 H VAL A 34 5.447 6.748 -3.506 1.00 0.00 H new ATOM 0 HA VAL A 34 5.791 7.799 -0.816 1.00 0.00 H new ATOM 0 HB VAL A 34 5.736 9.216 -3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.904 11.025 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.293 10.708 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.749 10.112 -0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.195 9.201 -3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.094 8.209 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.527 7.553 -3.439 1.00 0.00 H new ATOM 558 N TYR A 35 3.181 7.864 -0.766 1.00 0.00 N ATOM 559 CA TYR A 35 1.806 8.277 -0.520 1.00 0.00 C ATOM 560 C TYR A 35 1.760 9.661 0.117 1.00 0.00 C ATOM 561 O TYR A 35 2.603 10.003 0.946 1.00 0.00 O ATOM 562 CB TYR A 35 1.093 7.259 0.377 1.00 0.00 C ATOM 563 CG TYR A 35 0.000 7.856 1.238 1.00 0.00 C ATOM 564 CD1 TYR A 35 -1.042 8.546 0.670 1.00 0.00 C ATOM 565 CD2 TYR A 35 0.032 7.745 2.611 1.00 0.00 C ATOM 566 CE1 TYR A 35 -2.038 9.109 1.447 1.00 0.00 C ATOM 567 CE2 TYR A 35 -0.955 8.298 3.398 1.00 0.00 C ATOM 568 CZ TYR A 35 -1.989 8.978 2.808 1.00 0.00 C ATOM 569 OH TYR A 35 -2.984 9.531 3.586 1.00 0.00 O ATOM 0 H TYR A 35 3.489 7.064 -0.213 1.00 0.00 H new ATOM 0 HA TYR A 35 1.290 8.323 -1.479 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.662 6.478 -0.249 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.829 6.780 1.023 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.085 8.651 -0.404 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.847 7.214 3.080 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.850 9.649 0.982 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.914 8.196 4.472 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.745 9.445 4.533 1.00 0.00 H new ATOM 579 N GLY A 36 0.762 10.446 -0.265 1.00 0.00 N ATOM 580 CA GLY A 36 0.621 11.771 0.294 1.00 0.00 C ATOM 581 C GLY A 36 0.249 11.738 1.766 1.00 0.00 C ATOM 582 O GLY A 36 1.122 11.598 2.624 1.00 0.00 O ATOM 0 H GLY A 36 0.051 10.188 -0.950 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.556 12.317 0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.143 12.317 -0.260 1.00 0.00 H new ATOM 586 N GLY A 37 -1.045 11.844 2.065 1.00 0.00 N ATOM 587 CA GLY A 37 -1.479 11.838 3.443 1.00 0.00 C ATOM 588 C GLY A 37 -2.913 12.290 3.651 1.00 0.00 C ATOM 589 O GLY A 37 -3.229 12.880 4.685 1.00 0.00 O ATOM 0 H GLY A 37 -1.793 11.933 1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.367 10.830 3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.820 12.485 4.022 1.00 0.00 H new ATOM 593 N CYS A 38 -3.782 12.024 2.688 1.00 0.00 N ATOM 594 CA CYS A 38 -5.187 12.415 2.823 1.00 0.00 C ATOM 595 C CYS A 38 -6.116 11.430 2.125 1.00 0.00 C ATOM 596 O CYS A 38 -5.866 11.013 0.995 1.00 0.00 O ATOM 597 CB CYS A 38 -5.429 13.830 2.294 1.00 0.00 C ATOM 598 SG CYS A 38 -4.521 14.232 0.770 1.00 0.00 S ATOM 0 H CYS A 38 -3.550 11.547 1.816 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.414 12.402 3.889 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.496 13.958 2.111 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.150 14.546 3.067 1.00 0.00 H new ATOM 603 N ARG A 39 -7.184 11.055 2.831 1.00 0.00 N ATOM 604 CA ARG A 39 -8.190 10.112 2.338 1.00 0.00 C ATOM 605 C ARG A 39 -7.730 8.667 2.496 1.00 0.00 C ATOM 606 O ARG A 39 -8.543 7.777 2.749 1.00 0.00 O ATOM 607 CB ARG A 39 -8.561 10.392 0.876 1.00 0.00 C ATOM 608 CG ARG A 39 -9.826 11.222 0.721 1.00 0.00 C ATOM 609 CD ARG A 39 -11.069 10.347 0.740 1.00 0.00 C ATOM 610 NE ARG A 39 -11.172 9.569 1.973 1.00 0.00 N ATOM 611 CZ ARG A 39 -11.982 9.873 2.987 1.00 0.00 C ATOM 612 NH1 ARG A 39 -12.761 10.947 2.933 1.00 0.00 N ATOM 613 NH2 ARG A 39 -12.009 9.100 4.064 1.00 0.00 N ATOM 0 H ARG A 39 -7.377 11.401 3.771 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.081 10.257 2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.734 10.911 0.392 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.691 9.444 0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.883 11.955 1.526 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.785 11.779 -0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.955 10.973 0.631 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.050 9.671 -0.115 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.586 8.739 2.063 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.743 11.549 2.110 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.377 11.170 3.715 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.411 8.275 4.115 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.628 9.330 4.842 1.00 0.00 H new ATOM 627 N ALA A 40 -6.430 8.442 2.353 1.00 0.00 N ATOM 628 CA ALA A 40 -5.858 7.103 2.482 1.00 0.00 C ATOM 629 C ALA A 40 -6.613 6.081 1.631 1.00 0.00 C ATOM 630 O ALA A 40 -7.691 6.359 1.107 1.00 0.00 O ATOM 631 CB ALA A 40 -5.859 6.671 3.942 1.00 0.00 C ATOM 0 H ALA A 40 -5.747 9.171 2.147 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.831 7.145 2.118 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.431 5.672 4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.265 7.371 4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.882 6.660 4.317 1.00 0.00 H new ATOM 637 N LYS A 41 -6.040 4.891 1.509 1.00 0.00 N ATOM 638 CA LYS A 41 -6.663 3.818 0.739 1.00 0.00 C ATOM 639 C LYS A 41 -6.737 2.540 1.574 1.00 0.00 C ATOM 640 O LYS A 41 -6.499 2.566 2.782 1.00 0.00 O ATOM 641 CB LYS A 41 -5.892 3.556 -0.559 1.00 0.00 C ATOM 642 CG LYS A 41 -6.437 4.305 -1.767 1.00 0.00 C ATOM 643 CD LYS A 41 -7.884 3.941 -2.066 1.00 0.00 C ATOM 644 CE LYS A 41 -8.543 4.979 -2.962 1.00 0.00 C ATOM 645 NZ LYS A 41 -8.952 4.403 -4.274 1.00 0.00 N ATOM 0 H LYS A 41 -5.146 4.643 1.932 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.674 4.131 0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.849 3.835 -0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.909 2.487 -0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.363 5.378 -1.590 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.821 4.083 -2.638 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.923 2.964 -2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.440 3.858 -1.132 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.417 5.391 -2.458 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.852 5.806 -3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.397 5.143 -4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.114 4.033 -4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.631 3.631 -4.118 1.00 0.00 H new ATOM 659 N ARG A 42 -7.080 1.426 0.932 1.00 0.00 N ATOM 660 CA ARG A 42 -7.195 0.145 1.628 1.00 0.00 C ATOM 661 C ARG A 42 -5.896 -0.646 1.544 1.00 0.00 C ATOM 662 O ARG A 42 -5.523 -1.348 2.484 1.00 0.00 O ATOM 663 CB ARG A 42 -8.344 -0.675 1.041 1.00 0.00 C ATOM 664 CG ARG A 42 -9.651 0.097 0.965 1.00 0.00 C ATOM 665 CD ARG A 42 -10.802 -0.788 0.520 1.00 0.00 C ATOM 666 NE ARG A 42 -11.102 -0.616 -0.900 1.00 0.00 N ATOM 667 CZ ARG A 42 -12.315 -0.344 -1.384 1.00 0.00 C ATOM 668 NH1 ARG A 42 -13.358 -0.221 -0.571 1.00 0.00 N ATOM 669 NH2 ARG A 42 -12.485 -0.195 -2.690 1.00 0.00 N ATOM 0 H ARG A 42 -7.283 1.383 -0.067 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.401 0.351 2.678 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.069 -1.011 0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.492 -1.568 1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.878 0.525 1.941 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.542 0.929 0.269 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.555 -1.831 0.715 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.689 -0.555 1.110 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.334 -0.710 -1.564 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.236 -0.335 0.435 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.281 -0.013 -0.953 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.690 -0.288 -3.322 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.411 0.013 -3.063 1.00 0.00 H new ATOM 683 N ASN A 43 -5.213 -0.543 0.408 1.00 0.00 N ATOM 684 CA ASN A 43 -3.958 -1.254 0.215 1.00 0.00 C ATOM 685 C ASN A 43 -2.788 -0.360 0.596 1.00 0.00 C ATOM 686 O ASN A 43 -1.946 -0.018 -0.237 1.00 0.00 O ATOM 687 CB ASN A 43 -3.822 -1.731 -1.232 1.00 0.00 C ATOM 688 CG ASN A 43 -2.979 -2.985 -1.355 1.00 0.00 C ATOM 689 OD1 ASN A 43 -1.758 -2.919 -1.498 1.00 0.00 O ATOM 690 ND2 ASN A 43 -3.630 -4.138 -1.305 1.00 0.00 N ATOM 0 H ASN A 43 -5.507 0.023 -0.388 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.953 -2.132 0.861 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.813 -1.922 -1.642 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.376 -0.938 -1.832 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.118 -5.017 -1.386 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.643 -4.147 -1.185 1.00 0.00 H new ATOM 697 N ASN A 44 -2.763 0.028 1.864 1.00 0.00 N ATOM 698 CA ASN A 44 -1.716 0.899 2.391 1.00 0.00 C ATOM 699 C ASN A 44 -1.267 0.426 3.771 1.00 0.00 C ATOM 700 O ASN A 44 -1.990 0.589 4.753 1.00 0.00 O ATOM 701 CB ASN A 44 -2.214 2.346 2.502 1.00 0.00 C ATOM 702 CG ASN A 44 -2.669 2.933 1.179 1.00 0.00 C ATOM 703 OD1 ASN A 44 -2.782 2.234 0.175 1.00 0.00 O ATOM 704 ND2 ASN A 44 -2.936 4.234 1.176 1.00 0.00 N ATOM 0 H ASN A 44 -3.462 -0.249 2.554 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.875 0.858 1.699 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.041 2.384 3.211 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.416 2.966 2.910 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.248 4.689 0.318 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.829 4.779 2.032 1.00 0.00 H new ATOM 711 N PHE A 45 -0.070 -0.147 3.847 1.00 0.00 N ATOM 712 CA PHE A 45 0.463 -0.624 5.119 1.00 0.00 C ATOM 713 C PHE A 45 1.638 0.234 5.557 1.00 0.00 C ATOM 714 O PHE A 45 2.231 0.951 4.751 1.00 0.00 O ATOM 715 CB PHE A 45 0.899 -2.084 5.011 1.00 0.00 C ATOM 716 CG PHE A 45 -0.112 -2.941 4.309 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.256 -3.350 4.969 1.00 0.00 C ATOM 718 CD2 PHE A 45 0.069 -3.318 2.989 1.00 0.00 C ATOM 719 CE1 PHE A 45 -2.204 -4.121 4.329 1.00 0.00 C ATOM 720 CE2 PHE A 45 -0.878 -4.090 2.340 1.00 0.00 C ATOM 721 CZ PHE A 45 -2.016 -4.491 3.011 1.00 0.00 C ATOM 0 H PHE A 45 0.547 -0.292 3.048 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.328 -0.551 5.865 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.847 -2.137 4.476 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.074 -2.481 6.011 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.409 -3.062 5.999 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.958 -3.006 2.461 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.092 -4.435 4.857 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.727 -4.378 1.310 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.758 -5.093 2.507 1.00 0.00 H new ATOM 731 N LYS A 46 1.964 0.159 6.838 1.00 0.00 N ATOM 732 CA LYS A 46 3.066 0.930 7.391 1.00 0.00 C ATOM 733 C LYS A 46 4.389 0.200 7.209 1.00 0.00 C ATOM 734 O LYS A 46 5.458 0.807 7.284 1.00 0.00 O ATOM 735 CB LYS A 46 2.826 1.198 8.878 1.00 0.00 C ATOM 736 CG LYS A 46 2.319 2.597 9.166 1.00 0.00 C ATOM 737 CD LYS A 46 3.377 3.445 9.854 1.00 0.00 C ATOM 738 CE LYS A 46 3.353 4.880 9.355 1.00 0.00 C ATOM 739 NZ LYS A 46 2.185 5.633 9.888 1.00 0.00 N ATOM 0 H LYS A 46 1.480 -0.430 7.516 1.00 0.00 H new ATOM 0 HA LYS A 46 3.118 1.878 6.855 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.106 0.474 9.258 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.756 1.038 9.423 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.019 3.075 8.234 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.431 2.540 9.796 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.212 3.431 10.931 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.362 3.014 9.677 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.274 5.382 9.650 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.322 4.885 8.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.205 6.607 9.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.305 5.168 9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.228 5.650 10.927 1.00 0.00 H new ATOM 753 N SER A 47 4.315 -1.106 6.977 1.00 0.00 N ATOM 754 CA SER A 47 5.519 -1.904 6.801 1.00 0.00 C ATOM 755 C SER A 47 5.270 -3.126 5.923 1.00 0.00 C ATOM 756 O SER A 47 4.145 -3.623 5.814 1.00 0.00 O ATOM 757 CB SER A 47 6.057 -2.348 8.163 1.00 0.00 C ATOM 758 OG SER A 47 5.073 -2.212 9.172 1.00 0.00 O ATOM 0 H SER A 47 3.442 -1.629 6.907 1.00 0.00 H new ATOM 0 HA SER A 47 6.256 -1.278 6.299 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.383 -3.387 8.107 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.932 -1.753 8.423 1.00 0.00 H new ATOM 0 HG SER A 47 4.292 -2.758 8.943 1.00 0.00 H new ATOM 764 N ALA A 48 6.342 -3.617 5.313 1.00 0.00 N ATOM 765 CA ALA A 48 6.261 -4.790 4.456 1.00 0.00 C ATOM 766 C ALA A 48 5.655 -5.967 5.212 1.00 0.00 C ATOM 767 O ALA A 48 5.034 -6.847 4.617 1.00 0.00 O ATOM 768 CB ALA A 48 7.641 -5.152 3.927 1.00 0.00 C ATOM 0 H ALA A 48 7.278 -3.220 5.397 1.00 0.00 H new ATOM 0 HA ALA A 48 5.613 -4.556 3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.566 -6.031 3.287 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.040 -4.317 3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.306 -5.367 4.763 1.00 0.00 H new ATOM 774 N GLU A 49 5.837 -5.970 6.531 1.00 0.00 N ATOM 775 CA GLU A 49 5.302 -7.034 7.370 1.00 0.00 C ATOM 776 C GLU A 49 3.784 -6.940 7.439 1.00 0.00 C ATOM 777 O GLU A 49 3.086 -7.941 7.288 1.00 0.00 O ATOM 778 CB GLU A 49 5.902 -6.962 8.776 1.00 0.00 C ATOM 779 CG GLU A 49 5.985 -8.311 9.472 1.00 0.00 C ATOM 780 CD GLU A 49 5.030 -8.425 10.645 1.00 0.00 C ATOM 781 OE1 GLU A 49 3.830 -8.131 10.465 1.00 0.00 O ATOM 782 OE2 GLU A 49 5.485 -8.810 11.744 1.00 0.00 O ATOM 0 H GLU A 49 6.350 -5.249 7.038 1.00 0.00 H new ATOM 0 HA GLU A 49 5.573 -7.992 6.927 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.902 -6.533 8.714 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.302 -6.285 9.384 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.766 -9.100 8.753 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.005 -8.472 9.822 1.00 0.00 H new ATOM 789 N ASP A 50 3.274 -5.727 7.642 1.00 0.00 N ATOM 790 CA ASP A 50 1.834 -5.515 7.696 1.00 0.00 C ATOM 791 C ASP A 50 1.211 -5.983 6.390 1.00 0.00 C ATOM 792 O ASP A 50 0.136 -6.582 6.374 1.00 0.00 O ATOM 793 CB ASP A 50 1.509 -4.039 7.932 1.00 0.00 C ATOM 794 CG ASP A 50 1.643 -3.641 9.389 1.00 0.00 C ATOM 795 OD1 ASP A 50 0.712 -3.930 10.171 1.00 0.00 O ATOM 796 OD2 ASP A 50 2.678 -3.041 9.749 1.00 0.00 O ATOM 0 H ASP A 50 3.833 -4.884 7.771 1.00 0.00 H new ATOM 0 HA ASP A 50 1.423 -6.088 8.527 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.174 -3.423 7.328 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.493 -3.836 7.595 1.00 0.00 H new ATOM 801 N CYS A 51 1.917 -5.719 5.294 1.00 0.00 N ATOM 802 CA CYS A 51 1.467 -6.123 3.970 1.00 0.00 C ATOM 803 C CYS A 51 1.284 -7.632 3.922 1.00 0.00 C ATOM 804 O CYS A 51 0.168 -8.132 3.779 1.00 0.00 O ATOM 805 CB CYS A 51 2.504 -5.700 2.931 1.00 0.00 C ATOM 806 SG CYS A 51 1.823 -5.321 1.283 1.00 0.00 S ATOM 0 H CYS A 51 2.809 -5.224 5.300 1.00 0.00 H new ATOM 0 HA CYS A 51 0.513 -5.642 3.752 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.032 -4.821 3.302 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.242 -6.496 2.830 1.00 0.00 H new ATOM 811 N LEU A 52 2.390 -8.352 4.064 1.00 0.00 N ATOM 812 CA LEU A 52 2.351 -9.810 4.052 1.00 0.00 C ATOM 813 C LEU A 52 1.379 -10.320 5.109 1.00 0.00 C ATOM 814 O LEU A 52 0.772 -11.378 4.959 1.00 0.00 O ATOM 815 CB LEU A 52 3.744 -10.392 4.302 1.00 0.00 C ATOM 816 CG LEU A 52 4.815 -9.974 3.294 1.00 0.00 C ATOM 817 CD1 LEU A 52 6.188 -9.966 3.950 1.00 0.00 C ATOM 818 CD2 LEU A 52 4.804 -10.904 2.091 1.00 0.00 C ATOM 0 H LEU A 52 3.321 -7.953 4.188 1.00 0.00 H new ATOM 0 HA LEU A 52 2.011 -10.134 3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.071 -10.095 5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.671 -11.480 4.301 1.00 0.00 H new ATOM 0 HG LEU A 52 4.592 -8.964 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.939 -9.666 3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.190 -9.261 4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.420 -10.965 4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.572 -10.592 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.004 -11.924 2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.828 -10.863 1.608 1.00 0.00 H new ATOM 830 N ARG A 53 1.226 -9.550 6.177 1.00 0.00 N ATOM 831 CA ARG A 53 0.318 -9.919 7.249 1.00 0.00 C ATOM 832 C ARG A 53 -1.129 -9.710 6.819 1.00 0.00 C ATOM 833 O ARG A 53 -2.039 -10.362 7.331 1.00 0.00 O ATOM 834 CB ARG A 53 0.616 -9.098 8.505 1.00 0.00 C ATOM 835 CG ARG A 53 -0.247 -9.475 9.699 1.00 0.00 C ATOM 836 CD ARG A 53 -1.106 -8.308 10.160 1.00 0.00 C ATOM 837 NE ARG A 53 -2.432 -8.327 9.545 1.00 0.00 N ATOM 838 CZ ARG A 53 -3.399 -9.171 9.896 1.00 0.00 C ATOM 839 NH1 ARG A 53 -3.194 -10.065 10.855 1.00 0.00 N ATOM 840 NH2 ARG A 53 -4.575 -9.121 9.287 1.00 0.00 N ATOM 0 H ARG A 53 1.718 -8.669 6.322 1.00 0.00 H new ATOM 0 HA ARG A 53 0.465 -10.975 7.476 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.665 -9.225 8.771 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.470 -8.041 8.281 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.887 -10.317 9.435 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.390 -9.805 10.520 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.209 -8.340 11.245 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.606 -7.371 9.915 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.627 -7.654 8.804 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.291 -10.108 11.328 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.939 -10.709 11.119 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.739 -8.436 8.549 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.316 -9.768 9.556 1.00 0.00 H new ATOM 854 N THR A 54 -1.339 -8.793 5.876 1.00 0.00 N ATOM 855 CA THR A 54 -2.681 -8.497 5.390 1.00 0.00 C ATOM 856 C THR A 54 -3.083 -9.398 4.222 1.00 0.00 C ATOM 857 O THR A 54 -4.147 -10.014 4.251 1.00 0.00 O ATOM 858 CB THR A 54 -2.783 -7.029 4.979 1.00 0.00 C ATOM 859 OG1 THR A 54 -2.414 -6.186 6.054 1.00 0.00 O ATOM 860 CG2 THR A 54 -4.177 -6.637 4.541 1.00 0.00 C ATOM 0 H THR A 54 -0.599 -8.246 5.436 1.00 0.00 H new ATOM 0 HA THR A 54 -3.373 -8.694 6.209 1.00 0.00 H new ATOM 0 HB THR A 54 -2.105 -6.908 4.135 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.954 -5.394 5.706 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.188 -5.584 4.261 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.473 -7.243 3.685 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.876 -6.802 5.361 1.00 0.00 H new ATOM 868 N CYS A 55 -2.248 -9.464 3.184 1.00 0.00 N ATOM 869 CA CYS A 55 -2.570 -10.282 2.018 1.00 0.00 C ATOM 870 C CYS A 55 -1.656 -11.501 1.891 1.00 0.00 C ATOM 871 O CYS A 55 -1.916 -12.391 1.082 1.00 0.00 O ATOM 872 CB CYS A 55 -2.487 -9.434 0.750 1.00 0.00 C ATOM 873 SG CYS A 55 -2.793 -10.362 -0.790 1.00 0.00 S ATOM 0 H CYS A 55 -1.358 -8.969 3.128 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.586 -10.652 2.151 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -3.210 -8.622 0.821 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.499 -8.977 0.696 1.00 0.00 H new