USER MOD reduce.3.24.130724 H: found=0, std=0, add=294, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 289 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 220 THR OG1 : rot 144:sc= -2.14! USER MOD Set 1.2: A 222 HIS : no HD1:sc= -5.23! C(o=-7.4!,f=-13!) USER MOD Set 2.1: A 204 CYS SG : rot 155:sc= -2.01! USER MOD Set 2.2: A 207 CYS SG : rot -59:sc= -3.04! USER MOD Set 2.3: A 225 CYS SG : rot -141:sc= -0.178 USER MOD Set 2.4: A 228 CYS SG : rot 152:sc= 0.167 USER MOD Single : A 206 ASN : amide:sc= -6.42! C(o=-6.4!,f=-11!) USER MOD Single : A 210 THR OG1 : rot 40:sc= 0.474 USER MOD Single : A 212 THR OG1 : rot -150:sc= -1.61! USER MOD Single : A 223 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 ASN : amide:sc= -0.0963 K(o=-0.096,f=-2.3!) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 232 HIS : no HD1:sc= -2.25! K(o=-2.2!,f=-1) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 237 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 238 ASN : amide:sc= -0.0582 K(o=-0.058,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 36 N ALA A 201 -1.079 -14.407 -2.261 1.00 1.00 N ATOM 37 CA ALA A 201 -1.738 -13.171 -1.748 1.00 1.00 C ATOM 38 C ALA A 201 -1.438 -11.984 -2.668 1.00 1.00 C ATOM 39 O ALA A 201 -0.742 -12.115 -3.657 1.00 1.00 O ATOM 40 CB ALA A 201 -1.132 -12.943 -0.363 1.00 1.00 C ATOM 0 HA ALA A 201 -2.823 -13.271 -1.707 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -1.568 -12.048 0.082 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -1.342 -13.803 0.272 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -0.053 -12.815 -0.454 1.00 1.00 H new ATOM 46 N ARG A 202 -1.959 -10.832 -2.352 1.00 1.00 N ATOM 47 CA ARG A 202 -1.709 -9.636 -3.209 1.00 1.00 C ATOM 48 C ARG A 202 -0.283 -9.120 -2.997 1.00 1.00 C ATOM 49 O ARG A 202 0.450 -9.612 -2.163 1.00 1.00 O ATOM 50 CB ARG A 202 -2.730 -8.598 -2.741 1.00 1.00 C ATOM 51 CG ARG A 202 -4.078 -8.863 -3.415 1.00 1.00 C ATOM 52 CD ARG A 202 -5.200 -8.724 -2.384 1.00 1.00 C ATOM 53 NE ARG A 202 -6.299 -9.590 -2.892 1.00 1.00 N ATOM 54 CZ ARG A 202 -7.170 -10.095 -2.062 1.00 1.00 C ATOM 55 NH1 ARG A 202 -6.825 -11.075 -1.270 1.00 1.00 N ATOM 56 NH2 ARG A 202 -8.384 -9.618 -2.019 1.00 1.00 N ATOM 0 H ARG A 202 -2.548 -10.665 -1.536 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.809 -9.859 -4.271 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -2.839 -8.643 -1.657 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.381 -7.595 -2.985 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -4.232 -8.159 -4.233 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -4.090 -9.863 -3.848 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -4.870 -9.044 -1.396 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -5.525 -7.688 -2.291 1.00 1.00 H new ATOM 0 HE ARG A 202 -6.371 -9.789 -3.890 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -5.875 -11.445 -1.301 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -7.506 -11.470 -0.621 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -8.652 -8.850 -2.634 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -9.065 -10.013 -1.370 1.00 1.00 H new ATOM 70 N GLU A 203 0.113 -8.124 -3.745 1.00 1.00 N ATOM 71 CA GLU A 203 1.487 -7.571 -3.586 1.00 1.00 C ATOM 72 C GLU A 203 1.423 -6.051 -3.433 1.00 1.00 C ATOM 73 O GLU A 203 1.082 -5.338 -4.357 1.00 1.00 O ATOM 74 CB GLU A 203 2.222 -7.949 -4.872 1.00 1.00 C ATOM 75 CG GLU A 203 2.929 -9.292 -4.679 1.00 1.00 C ATOM 76 CD GLU A 203 3.672 -9.666 -5.963 1.00 1.00 C ATOM 77 OE1 GLU A 203 4.614 -8.968 -6.303 1.00 1.00 O ATOM 78 OE2 GLU A 203 3.289 -10.643 -6.583 1.00 1.00 O ATOM 0 H GLU A 203 -0.457 -7.670 -4.459 1.00 1.00 H new ATOM 0 HA GLU A 203 1.991 -7.962 -2.702 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.517 -8.013 -5.701 1.00 1.00 H new ATOM 0 HB3 GLU A 203 2.948 -7.177 -5.129 1.00 1.00 H new ATOM 0 HG2 GLU A 203 3.629 -9.230 -3.846 1.00 1.00 H new ATOM 0 HG3 GLU A 203 2.202 -10.065 -4.428 1.00 1.00 H new ATOM 85 N CYS A 204 1.746 -5.547 -2.274 1.00 1.00 N ATOM 86 CA CYS A 204 1.699 -4.076 -2.063 1.00 1.00 C ATOM 87 C CYS A 204 2.441 -3.358 -3.190 1.00 1.00 C ATOM 88 O CYS A 204 3.647 -3.443 -3.307 1.00 1.00 O ATOM 89 CB CYS A 204 2.406 -3.851 -0.732 1.00 1.00 C ATOM 90 SG CYS A 204 2.217 -2.128 -0.230 1.00 1.00 S ATOM 0 H CYS A 204 2.041 -6.092 -1.464 1.00 1.00 H new ATOM 0 HA CYS A 204 0.680 -3.690 -2.057 1.00 1.00 H new ATOM 0 HB2 CYS A 204 1.988 -4.510 0.029 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.463 -4.100 -0.824 1.00 1.00 H new ATOM 0 HG CYS A 204 2.330 -2.037 1.062 1.00 1.00 H new ATOM 95 N VAL A 205 1.729 -2.646 -4.015 1.00 1.00 N ATOM 96 CA VAL A 205 2.387 -1.913 -5.131 1.00 1.00 C ATOM 97 C VAL A 205 3.537 -1.053 -4.599 1.00 1.00 C ATOM 98 O VAL A 205 4.393 -0.616 -5.343 1.00 1.00 O ATOM 99 CB VAL A 205 1.285 -1.040 -5.728 1.00 1.00 C ATOM 100 CG1 VAL A 205 0.258 -1.924 -6.435 1.00 1.00 C ATOM 101 CG2 VAL A 205 0.596 -0.257 -4.610 1.00 1.00 C ATOM 0 H VAL A 205 0.716 -2.539 -3.965 1.00 1.00 H new ATOM 0 HA VAL A 205 2.820 -2.585 -5.872 1.00 1.00 H new ATOM 0 HB VAL A 205 1.722 -0.346 -6.446 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.528 -1.300 -6.861 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.747 -2.485 -7.231 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -0.179 -2.619 -5.718 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -0.191 0.367 -5.034 1.00 1.00 H new ATOM 0 HG22 VAL A 205 0.160 -0.953 -3.893 1.00 1.00 H new ATOM 0 HG23 VAL A 205 1.327 0.374 -4.104 1.00 1.00 H new ATOM 111 N ASN A 206 3.557 -0.789 -3.319 1.00 1.00 N ATOM 112 CA ASN A 206 4.640 0.062 -2.751 1.00 1.00 C ATOM 113 C ASN A 206 5.793 -0.782 -2.194 1.00 1.00 C ATOM 114 O ASN A 206 6.937 -0.584 -2.554 1.00 1.00 O ATOM 115 CB ASN A 206 3.971 0.856 -1.630 1.00 1.00 C ATOM 116 CG ASN A 206 3.363 2.137 -2.204 1.00 1.00 C ATOM 117 OD1 ASN A 206 2.237 2.478 -1.899 1.00 1.00 O ATOM 118 ND2 ASN A 206 4.066 2.869 -3.025 1.00 1.00 N ATOM 0 H ASN A 206 2.870 -1.126 -2.644 1.00 1.00 H new ATOM 0 HA ASN A 206 5.080 0.704 -3.514 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.196 0.254 -1.156 1.00 1.00 H new ATOM 0 HB3 ASN A 206 4.701 1.101 -0.858 1.00 1.00 H new ATOM 0 HD21 ASN A 206 3.670 3.727 -3.410 1.00 1.00 H new ATOM 0 HD22 ASN A 206 5.011 2.583 -3.281 1.00 1.00 H new ATOM 125 N CYS A 207 5.526 -1.695 -1.294 1.00 1.00 N ATOM 126 CA CYS A 207 6.639 -2.490 -0.717 1.00 1.00 C ATOM 127 C CYS A 207 6.472 -4.000 -0.979 1.00 1.00 C ATOM 128 O CYS A 207 7.294 -4.798 -0.576 1.00 1.00 O ATOM 129 CB CYS A 207 6.600 -2.149 0.775 1.00 1.00 C ATOM 130 SG CYS A 207 5.340 -3.125 1.630 1.00 1.00 S ATOM 0 H CYS A 207 4.596 -1.919 -0.941 1.00 1.00 H new ATOM 0 HA CYS A 207 7.601 -2.249 -1.170 1.00 1.00 H new ATOM 0 HB2 CYS A 207 7.576 -2.339 1.221 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.392 -1.087 0.904 1.00 1.00 H new ATOM 0 HG CYS A 207 4.176 -2.891 1.100 1.00 1.00 H new ATOM 135 N GLY A 208 5.437 -4.396 -1.677 1.00 1.00 N ATOM 136 CA GLY A 208 5.252 -5.851 -1.988 1.00 1.00 C ATOM 137 C GLY A 208 4.758 -6.616 -0.756 1.00 1.00 C ATOM 138 O GLY A 208 4.663 -7.827 -0.764 1.00 1.00 O ATOM 0 H GLY A 208 4.713 -3.779 -2.045 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.536 -5.965 -2.802 1.00 1.00 H new ATOM 0 HA3 GLY A 208 6.195 -6.276 -2.331 1.00 1.00 H new ATOM 142 N ALA A 209 4.440 -5.921 0.293 1.00 1.00 N ATOM 143 CA ALA A 209 3.946 -6.599 1.525 1.00 1.00 C ATOM 144 C ALA A 209 2.879 -7.637 1.166 1.00 1.00 C ATOM 145 O ALA A 209 1.795 -7.300 0.738 1.00 1.00 O ATOM 146 CB ALA A 209 3.341 -5.476 2.364 1.00 1.00 C ATOM 0 H ALA A 209 4.500 -4.905 0.355 1.00 1.00 H new ATOM 0 HA ALA A 209 4.736 -7.131 2.056 1.00 1.00 H new ATOM 0 HB1 ALA A 209 2.951 -5.887 3.295 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.109 -4.735 2.588 1.00 1.00 H new ATOM 0 HB3 ALA A 209 2.531 -5.003 1.809 1.00 1.00 H new ATOM 152 N THR A 210 3.177 -8.897 1.332 1.00 1.00 N ATOM 153 CA THR A 210 2.176 -9.950 0.989 1.00 1.00 C ATOM 154 C THR A 210 1.623 -10.609 2.256 1.00 1.00 C ATOM 155 O THR A 210 1.015 -11.661 2.206 1.00 1.00 O ATOM 156 CB THR A 210 2.952 -10.969 0.157 1.00 1.00 C ATOM 157 OG1 THR A 210 3.632 -10.300 -0.896 1.00 1.00 O ATOM 158 CG2 THR A 210 1.977 -11.991 -0.426 1.00 1.00 C ATOM 0 H THR A 210 4.067 -9.243 1.689 1.00 1.00 H new ATOM 0 HA THR A 210 1.320 -9.540 0.453 1.00 1.00 H new ATOM 0 HB THR A 210 3.680 -11.481 0.787 1.00 1.00 H new ATOM 0 HG1 THR A 210 4.004 -9.457 -0.562 1.00 1.00 H new ATOM 0 HG21 THR A 210 2.527 -12.720 -1.021 1.00 1.00 H new ATOM 0 HG22 THR A 210 1.457 -12.502 0.385 1.00 1.00 H new ATOM 0 HG23 THR A 210 1.250 -11.481 -1.058 1.00 1.00 H new ATOM 166 N ALA A 211 1.827 -10.004 3.392 1.00 1.00 N ATOM 167 CA ALA A 211 1.311 -10.602 4.658 1.00 1.00 C ATOM 168 C ALA A 211 0.382 -9.616 5.377 1.00 1.00 C ATOM 169 O ALA A 211 -0.047 -9.850 6.489 1.00 1.00 O ATOM 170 CB ALA A 211 2.555 -10.874 5.504 1.00 1.00 C ATOM 0 H ALA A 211 2.328 -9.122 3.501 1.00 1.00 H new ATOM 0 HA ALA A 211 0.732 -11.507 4.476 1.00 1.00 H new ATOM 0 HB1 ALA A 211 2.259 -11.316 6.455 1.00 1.00 H new ATOM 0 HB2 ALA A 211 3.213 -11.562 4.973 1.00 1.00 H new ATOM 0 HB3 ALA A 211 3.082 -9.938 5.688 1.00 1.00 H new ATOM 176 N THR A 212 0.066 -8.515 4.749 1.00 1.00 N ATOM 177 CA THR A 212 -0.833 -7.521 5.402 1.00 1.00 C ATOM 178 C THR A 212 -2.124 -8.198 5.869 1.00 1.00 C ATOM 179 O THR A 212 -2.561 -9.172 5.289 1.00 1.00 O ATOM 180 CB THR A 212 -1.131 -6.486 4.315 1.00 1.00 C ATOM 181 OG1 THR A 212 -1.716 -5.336 4.906 1.00 1.00 O ATOM 182 CG2 THR A 212 -2.095 -7.085 3.287 1.00 1.00 C ATOM 0 H THR A 212 0.390 -8.262 3.816 1.00 1.00 H new ATOM 0 HA THR A 212 -0.378 -7.069 6.283 1.00 1.00 H new ATOM 0 HB THR A 212 -0.204 -6.204 3.816 1.00 1.00 H new ATOM 0 HG1 THR A 212 -2.318 -4.908 4.262 1.00 1.00 H new ATOM 0 HG21 THR A 212 -2.307 -6.347 2.513 1.00 1.00 H new ATOM 0 HG22 THR A 212 -1.642 -7.966 2.833 1.00 1.00 H new ATOM 0 HG23 THR A 212 -3.024 -7.369 3.782 1.00 1.00 H new ATOM 190 N PRO A 213 -2.691 -7.654 6.912 1.00 1.00 N ATOM 191 CA PRO A 213 -3.948 -8.209 7.478 1.00 1.00 C ATOM 192 C PRO A 213 -5.131 -7.909 6.552 1.00 1.00 C ATOM 193 O PRO A 213 -5.917 -8.779 6.230 1.00 1.00 O ATOM 194 CB PRO A 213 -4.098 -7.467 8.805 1.00 1.00 C ATOM 195 CG PRO A 213 -3.341 -6.191 8.618 1.00 1.00 C ATOM 196 CD PRO A 213 -2.219 -6.483 7.658 1.00 1.00 C ATOM 0 HA PRO A 213 -3.923 -9.292 7.598 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -5.146 -7.275 9.034 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -3.692 -8.050 9.632 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.992 -5.410 8.225 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -2.951 -5.831 9.570 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -2.029 -5.638 6.997 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -1.287 -6.693 8.184 1.00 1.00 H new ATOM 204 N LEU A 214 -5.262 -6.683 6.123 1.00 1.00 N ATOM 205 CA LEU A 214 -6.392 -6.320 5.220 1.00 1.00 C ATOM 206 C LEU A 214 -5.902 -5.357 4.133 1.00 1.00 C ATOM 207 O LEU A 214 -5.486 -4.250 4.414 1.00 1.00 O ATOM 208 CB LEU A 214 -7.416 -5.638 6.132 1.00 1.00 C ATOM 209 CG LEU A 214 -8.654 -5.254 5.320 1.00 1.00 C ATOM 210 CD1 LEU A 214 -9.894 -5.894 5.948 1.00 1.00 C ATOM 211 CD2 LEU A 214 -8.813 -3.731 5.327 1.00 1.00 C ATOM 0 H LEU A 214 -4.634 -5.915 6.360 1.00 1.00 H new ATOM 0 HA LEU A 214 -6.817 -7.184 4.709 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -7.696 -6.308 6.945 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -6.978 -4.750 6.587 1.00 1.00 H new ATOM 0 HG LEU A 214 -8.540 -5.607 4.295 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -10.777 -5.621 5.370 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -9.783 -6.978 5.950 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -10.007 -5.539 6.972 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -9.695 -3.455 4.749 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -8.928 -3.382 6.353 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -7.930 -3.271 4.884 1.00 1.00 H new ATOM 223 N TRP A 215 -5.940 -5.772 2.896 1.00 1.00 N ATOM 224 CA TRP A 215 -5.468 -4.882 1.796 1.00 1.00 C ATOM 225 C TRP A 215 -6.444 -3.719 1.584 1.00 1.00 C ATOM 226 O TRP A 215 -7.600 -3.787 1.951 1.00 1.00 O ATOM 227 CB TRP A 215 -5.427 -5.770 0.552 1.00 1.00 C ATOM 228 CG TRP A 215 -4.326 -6.775 0.682 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.408 -7.931 1.379 1.00 1.00 C ATOM 230 CD2 TRP A 215 -2.987 -6.739 0.107 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.206 -8.605 1.273 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.297 -7.912 0.497 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.309 -5.813 -0.706 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -0.984 -8.155 0.095 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -0.986 -6.055 -1.113 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.326 -7.225 -0.714 1.00 1.00 C ATOM 0 H TRP A 215 -6.277 -6.688 2.599 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.496 -4.443 2.021 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.383 -6.279 0.425 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.271 -5.159 -0.337 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.272 -8.272 1.929 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.014 -9.504 1.714 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.809 -4.909 -1.020 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -0.479 -9.057 0.407 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.475 -5.336 -1.736 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.690 -7.408 -1.031 1.00 1.00 H new ATOM 247 N ARG A 216 -5.983 -2.658 0.981 1.00 1.00 N ATOM 248 CA ARG A 216 -6.872 -1.489 0.729 1.00 1.00 C ATOM 249 C ARG A 216 -6.469 -0.812 -0.583 1.00 1.00 C ATOM 250 O ARG A 216 -5.349 -0.363 -0.739 1.00 1.00 O ATOM 251 CB ARG A 216 -6.647 -0.551 1.915 1.00 1.00 C ATOM 252 CG ARG A 216 -7.465 -1.036 3.114 1.00 1.00 C ATOM 253 CD ARG A 216 -8.956 -0.946 2.786 1.00 1.00 C ATOM 254 NE ARG A 216 -9.526 -0.046 3.826 1.00 1.00 N ATOM 255 CZ ARG A 216 -10.668 0.553 3.618 1.00 1.00 C ATOM 256 NH1 ARG A 216 -10.833 1.293 2.555 1.00 1.00 N ATOM 257 NH2 ARG A 216 -11.645 0.412 4.472 1.00 1.00 N ATOM 0 H ARG A 216 -5.024 -2.550 0.650 1.00 1.00 H new ATOM 0 HA ARG A 216 -7.921 -1.772 0.638 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -5.588 -0.521 2.172 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -6.939 0.465 1.649 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -7.197 -2.064 3.358 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -7.238 -0.430 3.991 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -9.116 -0.544 1.786 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -9.426 -1.929 2.814 1.00 1.00 H new ATOM 0 HE ARG A 216 -9.024 0.103 4.702 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -10.070 1.403 1.887 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -11.725 1.761 2.393 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -11.517 -0.166 5.302 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -12.536 0.880 4.309 1.00 1.00 H new ATOM 271 N ARG A 217 -7.361 -0.745 -1.532 1.00 1.00 N ATOM 272 CA ARG A 217 -7.014 -0.112 -2.833 1.00 1.00 C ATOM 273 C ARG A 217 -7.310 1.389 -2.802 1.00 1.00 C ATOM 274 O ARG A 217 -8.012 1.880 -1.941 1.00 1.00 O ATOM 275 CB ARG A 217 -7.909 -0.803 -3.860 1.00 1.00 C ATOM 276 CG ARG A 217 -7.880 -2.317 -3.639 1.00 1.00 C ATOM 277 CD ARG A 217 -9.308 -2.825 -3.433 1.00 1.00 C ATOM 278 NE ARG A 217 -10.037 -2.431 -4.671 1.00 1.00 N ATOM 279 CZ ARG A 217 -11.282 -2.782 -4.836 1.00 1.00 C ATOM 280 NH1 ARG A 217 -11.569 -3.968 -5.299 1.00 1.00 N ATOM 281 NH2 ARG A 217 -12.241 -1.947 -4.542 1.00 1.00 N ATOM 0 H ARG A 217 -8.314 -1.101 -1.462 1.00 1.00 H new ATOM 0 HA ARG A 217 -5.955 -0.220 -3.066 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -8.931 -0.433 -3.773 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.570 -0.567 -4.869 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -7.426 -2.813 -4.497 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -7.267 -2.558 -2.770 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -9.326 -3.906 -3.291 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -9.762 -2.379 -2.548 1.00 1.00 H new ATOM 0 HE ARG A 217 -9.562 -1.886 -5.390 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -10.820 -4.620 -5.532 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -12.543 -4.243 -5.428 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -12.017 -1.019 -4.183 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -13.215 -2.222 -4.671 1.00 1.00 H new ATOM 295 N ASP A 218 -6.772 2.117 -3.740 1.00 1.00 N ATOM 296 CA ASP A 218 -7.004 3.585 -3.784 1.00 1.00 C ATOM 297 C ASP A 218 -7.499 3.997 -5.174 1.00 1.00 C ATOM 298 O ASP A 218 -7.943 3.178 -5.954 1.00 1.00 O ATOM 299 CB ASP A 218 -5.639 4.219 -3.488 1.00 1.00 C ATOM 300 CG ASP A 218 -4.517 3.367 -4.090 1.00 1.00 C ATOM 301 OD1 ASP A 218 -4.572 3.101 -5.279 1.00 1.00 O ATOM 302 OD2 ASP A 218 -3.620 2.995 -3.349 1.00 1.00 O ATOM 0 H ASP A 218 -6.176 1.753 -4.484 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.761 3.904 -3.067 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -5.601 5.227 -3.901 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -5.498 4.310 -2.411 1.00 1.00 H new ATOM 307 N ARG A 219 -7.427 5.261 -5.487 1.00 1.00 N ATOM 308 CA ARG A 219 -7.893 5.733 -6.823 1.00 1.00 C ATOM 309 C ARG A 219 -7.162 4.990 -7.941 1.00 1.00 C ATOM 310 O ARG A 219 -7.669 4.843 -9.035 1.00 1.00 O ATOM 311 CB ARG A 219 -7.531 7.215 -6.865 1.00 1.00 C ATOM 312 CG ARG A 219 -8.802 8.046 -7.021 1.00 1.00 C ATOM 313 CD ARG A 219 -9.340 8.425 -5.638 1.00 1.00 C ATOM 314 NE ARG A 219 -10.796 8.657 -5.843 1.00 1.00 N ATOM 315 CZ ARG A 219 -11.317 9.820 -5.556 1.00 1.00 C ATOM 316 NH1 ARG A 219 -10.811 10.541 -4.594 1.00 1.00 N ATOM 317 NH2 ARG A 219 -12.343 10.258 -6.232 1.00 1.00 N ATOM 0 H ARG A 219 -7.064 5.991 -4.873 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.959 5.558 -6.965 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -7.008 7.499 -5.951 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -6.852 7.411 -7.695 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -8.592 8.945 -7.600 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -9.553 7.480 -7.572 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -9.165 7.629 -4.914 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -8.848 9.319 -5.254 1.00 1.00 H new ATOM 0 HE ARG A 219 -11.386 7.909 -6.207 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -10.009 10.197 -4.066 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -11.217 11.449 -4.369 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -12.738 9.693 -6.984 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -12.751 11.166 -6.009 1.00 1.00 H new ATOM 331 N THR A 220 -5.967 4.538 -7.682 1.00 1.00 N ATOM 332 CA THR A 220 -5.204 3.825 -8.743 1.00 1.00 C ATOM 333 C THR A 220 -5.508 2.325 -8.704 1.00 1.00 C ATOM 334 O THR A 220 -4.922 1.543 -9.424 1.00 1.00 O ATOM 335 CB THR A 220 -3.736 4.091 -8.416 1.00 1.00 C ATOM 336 OG1 THR A 220 -3.366 3.345 -7.266 1.00 1.00 O ATOM 337 CG2 THR A 220 -3.537 5.584 -8.146 1.00 1.00 C ATOM 0 H THR A 220 -5.488 4.631 -6.786 1.00 1.00 H new ATOM 0 HA THR A 220 -5.467 4.168 -9.744 1.00 1.00 H new ATOM 0 HB THR A 220 -3.114 3.790 -9.259 1.00 1.00 H new ATOM 0 HG1 THR A 220 -2.440 3.037 -7.360 1.00 1.00 H new ATOM 0 HG21 THR A 220 -2.490 5.775 -7.912 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.822 6.155 -9.030 1.00 1.00 H new ATOM 0 HG23 THR A 220 -4.158 5.887 -7.303 1.00 1.00 H new ATOM 345 N GLY A 221 -6.431 1.924 -7.874 1.00 1.00 N ATOM 346 CA GLY A 221 -6.787 0.481 -7.790 1.00 1.00 C ATOM 347 C GLY A 221 -5.590 -0.335 -7.298 1.00 1.00 C ATOM 348 O GLY A 221 -5.553 -1.541 -7.442 1.00 1.00 O ATOM 0 H GLY A 221 -6.955 2.536 -7.249 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.630 0.347 -7.112 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -7.104 0.120 -8.769 1.00 1.00 H new ATOM 352 N HIS A 222 -4.610 0.301 -6.712 1.00 1.00 N ATOM 353 CA HIS A 222 -3.430 -0.465 -6.215 1.00 1.00 C ATOM 354 C HIS A 222 -3.826 -1.287 -4.985 1.00 1.00 C ATOM 355 O HIS A 222 -4.983 -1.364 -4.624 1.00 1.00 O ATOM 356 CB HIS A 222 -2.384 0.587 -5.845 1.00 1.00 C ATOM 357 CG HIS A 222 -1.596 0.962 -7.071 1.00 1.00 C ATOM 358 ND1 HIS A 222 -1.186 2.263 -7.318 1.00 1.00 N ATOM 359 CD2 HIS A 222 -1.135 0.216 -8.128 1.00 1.00 C ATOM 360 CE1 HIS A 222 -0.509 2.260 -8.480 1.00 1.00 C ATOM 361 NE2 HIS A 222 -0.449 1.039 -9.017 1.00 1.00 N ATOM 0 H HIS A 222 -4.575 1.309 -6.557 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.047 -1.161 -6.961 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.871 1.469 -5.428 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.717 0.198 -5.076 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.282 -0.847 -8.251 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -0.067 3.139 -8.925 1.00 1.00 H new ATOM 0 HE2 HIS A 222 0.002 0.768 -9.891 1.00 1.00 H new ATOM 369 N TYR A 223 -2.876 -1.908 -4.343 1.00 1.00 N ATOM 370 CA TYR A 223 -3.199 -2.728 -3.145 1.00 1.00 C ATOM 371 C TYR A 223 -2.136 -2.535 -2.062 1.00 1.00 C ATOM 372 O TYR A 223 -1.380 -3.437 -1.760 1.00 1.00 O ATOM 373 CB TYR A 223 -3.186 -4.168 -3.649 1.00 1.00 C ATOM 374 CG TYR A 223 -4.571 -4.568 -4.099 1.00 1.00 C ATOM 375 CD1 TYR A 223 -5.623 -4.606 -3.175 1.00 1.00 C ATOM 376 CD2 TYR A 223 -4.803 -4.905 -5.438 1.00 1.00 C ATOM 377 CE1 TYR A 223 -6.906 -4.983 -3.591 1.00 1.00 C ATOM 378 CE2 TYR A 223 -6.086 -5.282 -5.853 1.00 1.00 C ATOM 379 CZ TYR A 223 -7.138 -5.320 -4.928 1.00 1.00 C ATOM 380 OH TYR A 223 -8.402 -5.691 -5.338 1.00 1.00 O ATOM 0 H TYR A 223 -1.889 -1.882 -4.598 1.00 1.00 H new ATOM 0 HA TYR A 223 -4.155 -2.451 -2.701 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.483 -4.267 -4.476 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.844 -4.836 -2.859 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -5.445 -4.345 -2.142 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -3.992 -4.874 -6.151 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -7.717 -5.013 -2.878 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -6.265 -5.543 -6.886 1.00 1.00 H new ATOM 0 HH TYR A 223 -8.389 -5.891 -6.297 1.00 1.00 H new ATOM 390 N LEU A 224 -2.070 -1.375 -1.468 1.00 1.00 N ATOM 391 CA LEU A 224 -1.050 -1.149 -0.405 1.00 1.00 C ATOM 392 C LEU A 224 -1.233 -2.170 0.718 1.00 1.00 C ATOM 393 O LEU A 224 -2.224 -2.871 0.777 1.00 1.00 O ATOM 394 CB LEU A 224 -1.303 0.267 0.110 1.00 1.00 C ATOM 395 CG LEU A 224 -0.193 1.189 -0.389 1.00 1.00 C ATOM 396 CD1 LEU A 224 -0.258 1.282 -1.910 1.00 1.00 C ATOM 397 CD2 LEU A 224 -0.375 2.583 0.216 1.00 1.00 C ATOM 0 H LEU A 224 -2.674 -0.579 -1.671 1.00 1.00 H new ATOM 0 HA LEU A 224 -0.033 -1.262 -0.781 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -2.273 0.625 -0.236 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -1.333 0.271 1.200 1.00 1.00 H new ATOM 0 HG LEU A 224 0.775 0.788 -0.089 1.00 1.00 H new ATOM 0 HD11 LEU A 224 0.534 1.940 -2.268 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -0.128 0.289 -2.341 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -1.226 1.683 -2.209 1.00 1.00 H new ATOM 0 HD21 LEU A 224 0.418 3.241 -0.141 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -1.343 2.986 -0.083 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -0.330 2.517 1.303 1.00 1.00 H new ATOM 409 N CYS A 225 -0.286 -2.263 1.608 1.00 1.00 N ATOM 410 CA CYS A 225 -0.406 -3.242 2.722 1.00 1.00 C ATOM 411 C CYS A 225 -0.818 -2.528 4.012 1.00 1.00 C ATOM 412 O CYS A 225 -0.359 -2.859 5.086 1.00 1.00 O ATOM 413 CB CYS A 225 0.989 -3.847 2.864 1.00 1.00 C ATOM 414 SG CYS A 225 2.126 -2.589 3.496 1.00 1.00 S ATOM 0 H CYS A 225 0.566 -1.703 1.612 1.00 1.00 H new ATOM 0 HA CYS A 225 -1.163 -4.002 2.527 1.00 1.00 H new ATOM 0 HB2 CYS A 225 0.960 -4.701 3.541 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.337 -4.217 1.900 1.00 1.00 H new ATOM 0 HG CYS A 225 3.275 -2.704 2.899 1.00 1.00 H new ATOM 419 N ASN A 226 -1.679 -1.550 3.913 1.00 1.00 N ATOM 420 CA ASN A 226 -2.124 -0.811 5.133 1.00 1.00 C ATOM 421 C ASN A 226 -0.972 0.017 5.717 1.00 1.00 C ATOM 422 O ASN A 226 -1.095 1.208 5.920 1.00 1.00 O ATOM 423 CB ASN A 226 -2.560 -1.893 6.122 1.00 1.00 C ATOM 424 CG ASN A 226 -3.464 -1.274 7.190 1.00 1.00 C ATOM 425 OD1 ASN A 226 -3.747 -0.094 7.152 1.00 1.00 O ATOM 426 ND2 ASN A 226 -3.929 -2.025 8.151 1.00 1.00 N ATOM 0 H ASN A 226 -2.095 -1.230 3.038 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.930 -0.112 4.910 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -3.091 -2.688 5.597 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -1.686 -2.347 6.589 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -4.530 -1.620 8.869 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -3.692 -3.016 8.184 1.00 1.00 H new ATOM 433 N ALA A 227 0.141 -0.603 6.000 1.00 1.00 N ATOM 434 CA ALA A 227 1.288 0.150 6.583 1.00 1.00 C ATOM 435 C ALA A 227 1.814 1.202 5.601 1.00 1.00 C ATOM 436 O ALA A 227 2.354 2.215 6.000 1.00 1.00 O ATOM 437 CB ALA A 227 2.356 -0.908 6.857 1.00 1.00 C ATOM 0 H ALA A 227 0.306 -1.599 5.853 1.00 1.00 H new ATOM 0 HA ALA A 227 0.999 0.690 7.485 1.00 1.00 H new ATOM 0 HB1 ALA A 227 3.237 -0.433 7.289 1.00 1.00 H new ATOM 0 HB2 ALA A 227 1.964 -1.648 7.555 1.00 1.00 H new ATOM 0 HB3 ALA A 227 2.630 -1.399 5.923 1.00 1.00 H new ATOM 443 N CYS A 228 1.670 0.978 4.323 1.00 1.00 N ATOM 444 CA CYS A 228 2.177 1.978 3.340 1.00 1.00 C ATOM 445 C CYS A 228 1.190 3.137 3.194 1.00 1.00 C ATOM 446 O CYS A 228 1.578 4.286 3.099 1.00 1.00 O ATOM 447 CB CYS A 228 2.307 1.215 2.030 1.00 1.00 C ATOM 448 SG CYS A 228 3.897 0.348 1.996 1.00 1.00 S ATOM 0 H CYS A 228 1.227 0.153 3.919 1.00 1.00 H new ATOM 0 HA CYS A 228 3.125 2.415 3.653 1.00 1.00 H new ATOM 0 HB2 CYS A 228 1.489 0.502 1.929 1.00 1.00 H new ATOM 0 HB3 CYS A 228 2.237 1.903 1.187 1.00 1.00 H new ATOM 0 HG CYS A 228 3.796 -0.715 1.255 1.00 1.00 H new ATOM 453 N GLY A 229 -0.081 2.851 3.173 1.00 1.00 N ATOM 454 CA GLY A 229 -1.085 3.942 3.032 1.00 1.00 C ATOM 455 C GLY A 229 -0.944 4.918 4.202 1.00 1.00 C ATOM 456 O GLY A 229 -1.332 6.066 4.115 1.00 1.00 O ATOM 0 H GLY A 229 -0.468 1.910 3.247 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.938 4.466 2.088 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -2.092 3.524 3.012 1.00 1.00 H new ATOM 460 N LEU A 230 -0.386 4.472 5.295 1.00 1.00 N ATOM 461 CA LEU A 230 -0.213 5.375 6.469 1.00 1.00 C ATOM 462 C LEU A 230 0.272 6.754 6.013 1.00 1.00 C ATOM 463 O LEU A 230 -0.290 7.770 6.370 1.00 1.00 O ATOM 464 CB LEU A 230 0.845 4.701 7.332 1.00 1.00 C ATOM 465 CG LEU A 230 0.507 4.906 8.808 1.00 1.00 C ATOM 466 CD1 LEU A 230 0.575 6.397 9.147 1.00 1.00 C ATOM 467 CD2 LEU A 230 -0.904 4.384 9.086 1.00 1.00 C ATOM 0 H LEU A 230 -0.042 3.521 5.426 1.00 1.00 H new ATOM 0 HA LEU A 230 -1.147 5.529 7.010 1.00 1.00 H new ATOM 0 HB2 LEU A 230 0.891 3.636 7.103 1.00 1.00 H new ATOM 0 HB3 LEU A 230 1.828 5.117 7.112 1.00 1.00 H new ATOM 0 HG LEU A 230 1.224 4.361 9.422 1.00 1.00 H new ATOM 0 HD11 LEU A 230 0.334 6.542 10.200 1.00 1.00 H new ATOM 0 HD12 LEU A 230 1.580 6.769 8.950 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -0.141 6.943 8.532 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -1.145 4.530 10.139 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -1.621 4.928 8.471 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -0.953 3.322 8.847 1.00 1.00 H new ATOM 479 N TYR A 231 1.312 6.795 5.228 1.00 1.00 N ATOM 480 CA TYR A 231 1.834 8.108 4.750 1.00 1.00 C ATOM 481 C TYR A 231 0.699 8.934 4.140 1.00 1.00 C ATOM 482 O TYR A 231 0.535 10.101 4.439 1.00 1.00 O ATOM 483 CB TYR A 231 2.871 7.756 3.684 1.00 1.00 C ATOM 484 CG TYR A 231 3.943 8.818 3.660 1.00 1.00 C ATOM 485 CD1 TYR A 231 4.996 8.767 4.581 1.00 1.00 C ATOM 486 CD2 TYR A 231 3.886 9.851 2.718 1.00 1.00 C ATOM 487 CE1 TYR A 231 5.992 9.751 4.560 1.00 1.00 C ATOM 488 CE2 TYR A 231 4.882 10.834 2.697 1.00 1.00 C ATOM 489 CZ TYR A 231 5.934 10.784 3.618 1.00 1.00 C ATOM 490 OH TYR A 231 6.915 11.755 3.597 1.00 1.00 O ATOM 0 H TYR A 231 1.824 5.977 4.896 1.00 1.00 H new ATOM 0 HA TYR A 231 2.264 8.702 5.557 1.00 1.00 H new ATOM 0 HB2 TYR A 231 3.312 6.782 3.897 1.00 1.00 H new ATOM 0 HB3 TYR A 231 2.394 7.683 2.707 1.00 1.00 H new ATOM 0 HD1 TYR A 231 5.040 7.969 5.307 1.00 1.00 H new ATOM 0 HD2 TYR A 231 3.074 9.890 2.007 1.00 1.00 H new ATOM 0 HE1 TYR A 231 6.804 9.713 5.270 1.00 1.00 H new ATOM 0 HE2 TYR A 231 4.839 11.631 1.970 1.00 1.00 H new ATOM 0 HH TYR A 231 6.725 12.397 2.881 1.00 1.00 H new ATOM 500 N HIS A 232 -0.085 8.336 3.285 1.00 1.00 N ATOM 501 CA HIS A 232 -1.205 9.084 2.653 1.00 1.00 C ATOM 502 C HIS A 232 -2.260 9.444 3.702 1.00 1.00 C ATOM 503 O HIS A 232 -3.027 10.372 3.532 1.00 1.00 O ATOM 504 CB HIS A 232 -1.786 8.123 1.615 1.00 1.00 C ATOM 505 CG HIS A 232 -2.422 8.912 0.503 1.00 1.00 C ATOM 506 ND1 HIS A 232 -3.793 8.925 0.299 1.00 1.00 N ATOM 507 CD2 HIS A 232 -1.890 9.715 -0.475 1.00 1.00 C ATOM 508 CE1 HIS A 232 -4.037 9.712 -0.765 1.00 1.00 C ATOM 509 NE2 HIS A 232 -2.911 10.218 -1.274 1.00 1.00 N ATOM 0 H HIS A 232 0.003 7.361 2.998 1.00 1.00 H new ATOM 0 HA HIS A 232 -0.875 10.020 2.202 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -1.000 7.482 1.217 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -2.524 7.470 2.081 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -0.838 9.924 -0.604 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -5.023 9.910 -1.159 1.00 1.00 H new ATOM 0 HE2 HIS A 232 -2.819 10.840 -2.077 1.00 1.00 H new ATOM 517 N LYS A 233 -2.307 8.717 4.784 1.00 1.00 N ATOM 518 CA LYS A 233 -3.315 9.018 5.841 1.00 1.00 C ATOM 519 C LYS A 233 -2.858 10.211 6.686 1.00 1.00 C ATOM 520 O LYS A 233 -3.606 11.138 6.921 1.00 1.00 O ATOM 521 CB LYS A 233 -3.385 7.751 6.693 1.00 1.00 C ATOM 522 CG LYS A 233 -4.167 6.675 5.937 1.00 1.00 C ATOM 523 CD LYS A 233 -4.609 5.581 6.911 1.00 1.00 C ATOM 524 CE LYS A 233 -6.037 5.863 7.384 1.00 1.00 C ATOM 525 NZ LYS A 233 -6.779 4.595 7.142 1.00 1.00 N ATOM 0 H LYS A 233 -1.692 7.928 4.983 1.00 1.00 H new ATOM 0 HA LYS A 233 -4.286 9.282 5.422 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -2.380 7.395 6.919 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -3.869 7.966 7.646 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -5.037 7.117 5.452 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -3.547 6.246 5.150 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -4.562 4.606 6.425 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -3.932 5.545 7.765 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -6.057 6.137 8.439 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -6.480 6.691 6.831 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -7.768 4.709 7.442 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -6.749 4.363 6.129 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -6.339 3.826 7.686 1.00 1.00 H new ATOM 539 N MET A 234 -1.638 10.191 7.147 1.00 1.00 N ATOM 540 CA MET A 234 -1.139 11.321 7.979 1.00 1.00 C ATOM 541 C MET A 234 -0.446 12.366 7.102 1.00 1.00 C ATOM 542 O MET A 234 -0.814 13.523 7.085 1.00 1.00 O ATOM 543 CB MET A 234 -0.143 10.685 8.948 1.00 1.00 C ATOM 544 CG MET A 234 -0.903 10.003 10.087 1.00 1.00 C ATOM 545 SD MET A 234 -0.164 10.468 11.672 1.00 1.00 S ATOM 546 CE MET A 234 -1.680 11.059 12.464 1.00 1.00 C ATOM 0 H MET A 234 -0.966 9.442 6.984 1.00 1.00 H new ATOM 0 HA MET A 234 -1.945 11.837 8.501 1.00 1.00 H new ATOM 0 HB2 MET A 234 0.477 9.958 8.424 1.00 1.00 H new ATOM 0 HB3 MET A 234 0.527 11.446 9.348 1.00 1.00 H new ATOM 0 HG2 MET A 234 -1.953 10.295 10.064 1.00 1.00 H new ATOM 0 HG3 MET A 234 -0.871 8.921 9.963 1.00 1.00 H new ATOM 0 HE1 MET A 234 -1.453 11.402 13.474 1.00 1.00 H new ATOM 0 HE2 MET A 234 -2.095 11.884 11.885 1.00 1.00 H new ATOM 0 HE3 MET A 234 -2.406 10.248 12.511 1.00 1.00 H new ATOM 556 N ASN A 235 0.556 11.962 6.375 1.00 1.00 N ATOM 557 CA ASN A 235 1.278 12.929 5.497 1.00 1.00 C ATOM 558 C ASN A 235 0.402 13.320 4.303 1.00 1.00 C ATOM 559 O ASN A 235 0.426 14.444 3.846 1.00 1.00 O ATOM 560 CB ASN A 235 2.524 12.178 5.023 1.00 1.00 C ATOM 561 CG ASN A 235 3.666 12.412 6.011 1.00 1.00 C ATOM 562 OD1 ASN A 235 3.668 11.867 7.097 1.00 1.00 O ATOM 563 ND2 ASN A 235 4.647 13.209 5.681 1.00 1.00 N ATOM 0 H ASN A 235 0.908 11.005 6.349 1.00 1.00 H new ATOM 0 HA ASN A 235 1.530 13.851 6.020 1.00 1.00 H new ATOM 0 HB2 ASN A 235 2.311 11.112 4.943 1.00 1.00 H new ATOM 0 HB3 ASN A 235 2.812 12.521 4.029 1.00 1.00 H new ATOM 0 HD21 ASN A 235 5.413 13.373 6.334 1.00 1.00 H new ATOM 0 HD22 ASN A 235 4.647 13.667 4.770 1.00 1.00 H new ATOM 570 N GLY A 236 -0.373 12.399 3.803 1.00 1.00 N ATOM 571 CA GLY A 236 -1.252 12.711 2.646 1.00 1.00 C ATOM 572 C GLY A 236 -0.496 12.470 1.338 1.00 1.00 C ATOM 573 O GLY A 236 -1.073 12.087 0.338 1.00 1.00 O ATOM 0 H GLY A 236 -0.435 11.441 4.148 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -2.146 12.089 2.679 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -1.583 13.748 2.699 1.00 1.00 H new ATOM 577 N GLN A 237 0.791 12.688 1.331 1.00 1.00 N ATOM 578 CA GLN A 237 1.578 12.470 0.083 1.00 1.00 C ATOM 579 C GLN A 237 1.872 10.980 -0.106 1.00 1.00 C ATOM 580 O GLN A 237 1.264 10.133 0.515 1.00 1.00 O ATOM 581 CB GLN A 237 2.876 13.251 0.290 1.00 1.00 C ATOM 582 CG GLN A 237 2.548 14.697 0.664 1.00 1.00 C ATOM 583 CD GLN A 237 3.815 15.399 1.154 1.00 1.00 C ATOM 584 OE1 GLN A 237 4.844 15.342 0.508 1.00 1.00 O ATOM 585 NE2 GLN A 237 3.786 16.065 2.275 1.00 1.00 N ATOM 0 H GLN A 237 1.332 13.007 2.135 1.00 1.00 H new ATOM 0 HA GLN A 237 1.041 12.801 -0.805 1.00 1.00 H new ATOM 0 HB2 GLN A 237 3.471 12.787 1.077 1.00 1.00 H new ATOM 0 HB3 GLN A 237 3.476 13.227 -0.619 1.00 1.00 H new ATOM 0 HG2 GLN A 237 2.139 15.223 -0.199 1.00 1.00 H new ATOM 0 HG3 GLN A 237 1.784 14.718 1.441 1.00 1.00 H new ATOM 0 HE21 GLN A 237 2.923 16.113 2.817 1.00 1.00 H new ATOM 0 HE22 GLN A 237 4.626 16.538 2.609 1.00 1.00 H new ATOM 594 N ASN A 238 2.804 10.655 -0.962 1.00 1.00 N ATOM 595 CA ASN A 238 3.138 9.222 -1.194 1.00 1.00 C ATOM 596 C ASN A 238 4.467 8.872 -0.522 1.00 1.00 C ATOM 597 O ASN A 238 5.113 9.712 0.073 1.00 1.00 O ATOM 598 CB ASN A 238 3.256 9.090 -2.713 1.00 1.00 C ATOM 599 CG ASN A 238 1.863 8.976 -3.328 1.00 1.00 C ATOM 600 OD1 ASN A 238 0.896 8.734 -2.633 1.00 1.00 O ATOM 601 ND2 ASN A 238 1.715 9.146 -4.613 1.00 1.00 N ATOM 0 H ASN A 238 3.348 11.321 -1.510 1.00 1.00 H new ATOM 0 HA ASN A 238 2.387 8.549 -0.780 1.00 1.00 H new ATOM 0 HB2 ASN A 238 3.776 9.955 -3.124 1.00 1.00 H new ATOM 0 HB3 ASN A 238 3.849 8.212 -2.967 1.00 1.00 H new ATOM 0 HD21 ASN A 238 0.788 9.076 -5.033 1.00 1.00 H new ATOM 0 HD22 ASN A 238 2.526 9.349 -5.197 1.00 1.00 H new ATOM 608 N ARG A 239 4.880 7.638 -0.611 1.00 1.00 N ATOM 609 CA ARG A 239 6.164 7.231 0.022 1.00 1.00 C ATOM 610 C ARG A 239 7.235 7.011 -1.051 1.00 1.00 C ATOM 611 O ARG A 239 6.929 6.893 -2.221 1.00 1.00 O ATOM 612 CB ARG A 239 5.845 5.921 0.736 1.00 1.00 C ATOM 613 CG ARG A 239 4.969 6.203 1.958 1.00 1.00 C ATOM 614 CD ARG A 239 4.353 4.894 2.458 1.00 1.00 C ATOM 615 NE ARG A 239 3.788 4.244 1.243 1.00 1.00 N ATOM 616 CZ ARG A 239 2.956 4.899 0.479 1.00 1.00 C ATOM 617 NH1 ARG A 239 1.998 5.608 1.013 1.00 1.00 N ATOM 618 NH2 ARG A 239 3.080 4.845 -0.819 1.00 1.00 N ATOM 0 H ARG A 239 4.381 6.892 -1.097 1.00 1.00 H new ATOM 0 HA ARG A 239 6.551 7.987 0.705 1.00 1.00 H new ATOM 0 HB2 ARG A 239 5.331 5.241 0.057 1.00 1.00 H new ATOM 0 HB3 ARG A 239 6.768 5.428 1.043 1.00 1.00 H new ATOM 0 HG2 ARG A 239 5.564 6.662 2.747 1.00 1.00 H new ATOM 0 HG3 ARG A 239 4.182 6.912 1.699 1.00 1.00 H new ATOM 0 HD2 ARG A 239 5.103 4.261 2.932 1.00 1.00 H new ATOM 0 HD3 ARG A 239 3.578 5.081 3.202 1.00 1.00 H new ATOM 0 HE ARG A 239 4.051 3.287 1.008 1.00 1.00 H new ATOM 0 HH11 ARG A 239 1.899 5.650 2.027 1.00 1.00 H new ATOM 0 HH12 ARG A 239 1.348 6.119 0.416 1.00 1.00 H new ATOM 0 HH21 ARG A 239 3.827 4.291 -1.237 1.00 1.00 H new ATOM 0 HH22 ARG A 239 2.430 5.357 -1.415 1.00 1.00 H new