USER MOD reduce.3.24.130724 H: found=0, std=0, add=294, rem=0, adj=10 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 -51:sc= -3.49! USER MOD Set 1.2: A 222 HIS : no HD1:sc= -4! C(o=-7.5!,f=-7.8!) USER MOD Set 2.1: A 204 CYS SG : rot 154:sc= -2.9! USER MOD Set 2.2: A 207 CYS SG : rot -57:sc= -2.65! USER MOD Set 2.3: A 225 CYS SG : rot -141:sc= -0.418 USER MOD Set 2.4: A 228 CYS SG : rot 89:sc= 0.173 USER MOD Single : A 206 ASN : amide:sc= -8.67! C(o=-8.7!,f=-17!) USER MOD Single : A 210 THR OG1 : rot 180:sc= 0 USER MOD Single : A 212 THR OG1 : rot -140:sc= -2.01! USER MOD Single : A 223 TYR OH : rot 180:sc= 0.14 USER MOD Single : A 226 ASN : amide:sc= -0.36 K(o=-0.36,f=-2.8!) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 232 HIS :FLIP no HE2:sc= -2.02 F(o=-3.1!,f=-2) 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= -0.176 K(o=-0.18,f=-1.2!) USER MOD Single : A 237 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 238 ASN : amide:sc= -0.0713 K(o=-0.071,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 36 N ALA A 201 -1.721 -14.354 -2.638 1.00 1.00 N ATOM 37 CA ALA A 201 -1.805 -13.095 -1.844 1.00 1.00 C ATOM 38 C ALA A 201 -1.407 -11.898 -2.711 1.00 1.00 C ATOM 39 O ALA A 201 -0.575 -12.007 -3.589 1.00 1.00 O ATOM 40 CB ALA A 201 -0.808 -13.281 -0.699 1.00 1.00 C ATOM 0 HA ALA A 201 -2.814 -12.903 -1.479 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -0.811 -12.393 -0.067 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -1.093 -14.150 -0.106 1.00 1.00 H new ATOM 0 HB3 ALA A 201 0.191 -13.433 -1.108 1.00 1.00 H new ATOM 46 N ARG A 202 -1.994 -10.758 -2.473 1.00 1.00 N ATOM 47 CA ARG A 202 -1.646 -9.556 -3.285 1.00 1.00 C ATOM 48 C ARG A 202 -0.248 -9.056 -2.913 1.00 1.00 C ATOM 49 O ARG A 202 0.321 -9.458 -1.917 1.00 1.00 O ATOM 50 CB ARG A 202 -2.703 -8.514 -2.920 1.00 1.00 C ATOM 51 CG ARG A 202 -3.692 -8.365 -4.078 1.00 1.00 C ATOM 52 CD ARG A 202 -5.003 -9.072 -3.724 1.00 1.00 C ATOM 53 NE ARG A 202 -5.170 -10.117 -4.771 1.00 1.00 N ATOM 54 CZ ARG A 202 -6.313 -10.245 -5.390 1.00 1.00 C ATOM 55 NH1 ARG A 202 -7.427 -10.237 -4.710 1.00 1.00 N ATOM 56 NH2 ARG A 202 -6.342 -10.380 -6.688 1.00 1.00 N ATOM 0 H ARG A 202 -2.699 -10.606 -1.752 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.634 -9.767 -4.354 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.229 -8.816 -2.014 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.227 -7.556 -2.708 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -3.878 -7.310 -4.278 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -3.270 -8.792 -4.988 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -4.957 -9.514 -2.729 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -5.841 -8.375 -3.725 1.00 1.00 H new ATOM 0 HE ARG A 202 -4.392 -10.733 -5.005 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -7.405 -10.131 -3.696 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -8.320 -10.337 -5.193 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -5.472 -10.386 -7.220 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -7.235 -10.480 -7.171 1.00 1.00 H new ATOM 70 N GLU A 203 0.309 -8.180 -3.702 1.00 1.00 N ATOM 71 CA GLU A 203 1.669 -7.652 -3.391 1.00 1.00 C ATOM 72 C GLU A 203 1.614 -6.133 -3.220 1.00 1.00 C ATOM 73 O GLU A 203 1.288 -5.408 -4.139 1.00 1.00 O ATOM 74 CB GLU A 203 2.527 -8.026 -4.600 1.00 1.00 C ATOM 75 CG GLU A 203 3.514 -9.127 -4.206 1.00 1.00 C ATOM 76 CD GLU A 203 4.861 -8.876 -4.890 1.00 1.00 C ATOM 77 OE1 GLU A 203 4.855 -8.587 -6.075 1.00 1.00 O ATOM 78 OE2 GLU A 203 5.872 -8.980 -4.216 1.00 1.00 O ATOM 0 H GLU A 203 -0.118 -7.806 -4.549 1.00 1.00 H new ATOM 0 HA GLU A 203 2.072 -8.063 -2.466 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.892 -8.368 -5.418 1.00 1.00 H new ATOM 0 HB3 GLU A 203 3.067 -7.151 -4.960 1.00 1.00 H new ATOM 0 HG2 GLU A 203 3.642 -9.145 -3.124 1.00 1.00 H new ATOM 0 HG3 GLU A 203 3.123 -10.102 -4.497 1.00 1.00 H new ATOM 85 N CYS A 204 1.925 -5.646 -2.050 1.00 1.00 N ATOM 86 CA CYS A 204 1.883 -4.178 -1.822 1.00 1.00 C ATOM 87 C CYS A 204 2.568 -3.439 -2.968 1.00 1.00 C ATOM 88 O CYS A 204 3.773 -3.482 -3.119 1.00 1.00 O ATOM 89 CB CYS A 204 2.643 -3.960 -0.520 1.00 1.00 C ATOM 90 SG CYS A 204 2.466 -2.241 -0.002 1.00 1.00 S ATOM 0 H CYS A 204 2.206 -6.203 -1.243 1.00 1.00 H new ATOM 0 HA CYS A 204 0.862 -3.801 -1.770 1.00 1.00 H new ATOM 0 HB2 CYS A 204 2.259 -4.626 0.253 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.697 -4.203 -0.656 1.00 1.00 H new ATOM 0 HG CYS A 204 2.594 -2.162 1.289 1.00 1.00 H new ATOM 95 N VAL A 205 1.810 -2.747 -3.771 1.00 1.00 N ATOM 96 CA VAL A 205 2.414 -1.988 -4.900 1.00 1.00 C ATOM 97 C VAL A 205 3.567 -1.117 -4.388 1.00 1.00 C ATOM 98 O VAL A 205 4.403 -0.669 -5.148 1.00 1.00 O ATOM 99 CB VAL A 205 1.273 -1.123 -5.437 1.00 1.00 C ATOM 100 CG1 VAL A 205 0.808 -0.157 -4.346 1.00 1.00 C ATOM 101 CG2 VAL A 205 1.755 -0.322 -6.648 1.00 1.00 C ATOM 0 H VAL A 205 0.796 -2.674 -3.694 1.00 1.00 H new ATOM 0 HA VAL A 205 2.830 -2.637 -5.671 1.00 1.00 H new ATOM 0 HB VAL A 205 0.446 -1.767 -5.735 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.005 0.460 -4.729 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.459 -0.724 -3.483 1.00 1.00 H new ATOM 0 HG13 VAL A 205 1.639 0.482 -4.048 1.00 1.00 H new ATOM 0 HG21 VAL A 205 0.938 0.292 -7.026 1.00 1.00 H new ATOM 0 HG22 VAL A 205 2.585 0.320 -6.353 1.00 1.00 H new ATOM 0 HG23 VAL A 205 2.086 -1.007 -7.429 1.00 1.00 H new ATOM 111 N ASN A 206 3.610 -0.861 -3.105 1.00 1.00 N ATOM 112 CA ASN A 206 4.698 -0.007 -2.548 1.00 1.00 C ATOM 113 C ASN A 206 5.891 -0.847 -2.069 1.00 1.00 C ATOM 114 O ASN A 206 7.007 -0.646 -2.508 1.00 1.00 O ATOM 115 CB ASN A 206 4.058 0.727 -1.370 1.00 1.00 C ATOM 116 CG ASN A 206 3.458 2.046 -1.857 1.00 1.00 C ATOM 117 OD1 ASN A 206 2.334 2.374 -1.532 1.00 1.00 O ATOM 118 ND2 ASN A 206 4.167 2.826 -2.626 1.00 1.00 N ATOM 0 H ASN A 206 2.938 -1.207 -2.420 1.00 1.00 H new ATOM 0 HA ASN A 206 5.093 0.673 -3.302 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.283 0.107 -0.919 1.00 1.00 H new ATOM 0 HB3 ASN A 206 4.803 0.917 -0.598 1.00 1.00 H new ATOM 0 HD21 ASN A 206 3.778 3.710 -2.954 1.00 1.00 H new ATOM 0 HD22 ASN A 206 5.111 2.552 -2.899 1.00 1.00 H new ATOM 125 N CYS A 207 5.689 -1.763 -1.154 1.00 1.00 N ATOM 126 CA CYS A 207 6.839 -2.558 -0.656 1.00 1.00 C ATOM 127 C CYS A 207 6.678 -4.058 -0.972 1.00 1.00 C ATOM 128 O CYS A 207 7.527 -4.862 -0.636 1.00 1.00 O ATOM 129 CB CYS A 207 6.870 -2.273 0.850 1.00 1.00 C ATOM 130 SG CYS A 207 5.634 -3.260 1.729 1.00 1.00 S ATOM 0 H CYS A 207 4.785 -1.989 -0.738 1.00 1.00 H new ATOM 0 HA CYS A 207 7.777 -2.283 -1.138 1.00 1.00 H new ATOM 0 HB2 CYS A 207 7.862 -2.493 1.244 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.685 -1.213 1.026 1.00 1.00 H new ATOM 0 HG CYS A 207 4.455 -3.016 1.239 1.00 1.00 H new ATOM 135 N GLY A 208 5.621 -4.439 -1.646 1.00 1.00 N ATOM 136 CA GLY A 208 5.441 -5.880 -2.015 1.00 1.00 C ATOM 137 C GLY A 208 4.914 -6.687 -0.826 1.00 1.00 C ATOM 138 O GLY A 208 4.690 -7.877 -0.921 1.00 1.00 O ATOM 0 H GLY A 208 4.875 -3.816 -1.957 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.747 -5.961 -2.851 1.00 1.00 H new ATOM 0 HA3 GLY A 208 6.392 -6.296 -2.349 1.00 1.00 H new ATOM 142 N ALA A 209 4.715 -6.053 0.286 1.00 1.00 N ATOM 143 CA ALA A 209 4.202 -6.774 1.486 1.00 1.00 C ATOM 144 C ALA A 209 3.079 -7.733 1.087 1.00 1.00 C ATOM 145 O ALA A 209 2.049 -7.318 0.601 1.00 1.00 O ATOM 146 CB ALA A 209 3.658 -5.676 2.395 1.00 1.00 C ATOM 0 H ALA A 209 4.886 -5.057 0.422 1.00 1.00 H new ATOM 0 HA ALA A 209 4.974 -7.370 1.972 1.00 1.00 H new ATOM 0 HB1 ALA A 209 3.259 -6.122 3.306 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.461 -4.985 2.651 1.00 1.00 H new ATOM 0 HB3 ALA A 209 2.865 -5.136 1.878 1.00 1.00 H new ATOM 152 N THR A 210 3.265 -9.008 1.296 1.00 1.00 N ATOM 153 CA THR A 210 2.198 -9.982 0.931 1.00 1.00 C ATOM 154 C THR A 210 1.483 -10.475 2.194 1.00 1.00 C ATOM 155 O THR A 210 0.449 -11.110 2.124 1.00 1.00 O ATOM 156 CB THR A 210 2.929 -11.137 0.243 1.00 1.00 C ATOM 157 OG1 THR A 210 3.970 -10.617 -0.573 1.00 1.00 O ATOM 158 CG2 THR A 210 1.942 -11.921 -0.625 1.00 1.00 C ATOM 0 H THR A 210 4.107 -9.416 1.702 1.00 1.00 H new ATOM 0 HA THR A 210 1.439 -9.541 0.285 1.00 1.00 H new ATOM 0 HB THR A 210 3.354 -11.800 0.997 1.00 1.00 H new ATOM 0 HG1 THR A 210 4.440 -11.355 -1.013 1.00 1.00 H new ATOM 0 HG21 THR A 210 2.462 -12.744 -1.115 1.00 1.00 H new ATOM 0 HG22 THR A 210 1.143 -12.319 0.001 1.00 1.00 H new ATOM 0 HG23 THR A 210 1.516 -11.260 -1.380 1.00 1.00 H new ATOM 166 N ALA A 211 2.025 -10.185 3.345 1.00 1.00 N ATOM 167 CA ALA A 211 1.374 -10.636 4.609 1.00 1.00 C ATOM 168 C ALA A 211 0.741 -9.442 5.331 1.00 1.00 C ATOM 169 O ALA A 211 1.222 -8.996 6.353 1.00 1.00 O ATOM 170 CB ALA A 211 2.506 -11.232 5.448 1.00 1.00 C ATOM 0 H ALA A 211 2.889 -9.656 3.466 1.00 1.00 H new ATOM 0 HA ALA A 211 0.578 -11.358 4.429 1.00 1.00 H new ATOM 0 HB1 ALA A 211 2.107 -11.588 6.398 1.00 1.00 H new ATOM 0 HB2 ALA A 211 2.958 -12.065 4.910 1.00 1.00 H new ATOM 0 HB3 ALA A 211 3.261 -10.468 5.635 1.00 1.00 H new ATOM 176 N THR A 212 -0.334 -8.922 4.804 1.00 1.00 N ATOM 177 CA THR A 212 -0.997 -7.757 5.458 1.00 1.00 C ATOM 178 C THR A 212 -2.366 -8.171 6.014 1.00 1.00 C ATOM 179 O THR A 212 -2.984 -9.092 5.518 1.00 1.00 O ATOM 180 CB THR A 212 -1.154 -6.718 4.344 1.00 1.00 C ATOM 181 OG1 THR A 212 -1.408 -5.442 4.916 1.00 1.00 O ATOM 182 CG2 THR A 212 -2.317 -7.108 3.429 1.00 1.00 C ATOM 0 H THR A 212 -0.782 -9.253 3.949 1.00 1.00 H new ATOM 0 HA THR A 212 -0.422 -7.368 6.298 1.00 1.00 H new ATOM 0 HB THR A 212 -0.235 -6.679 3.759 1.00 1.00 H new ATOM 0 HG1 THR A 212 -2.081 -4.972 4.381 1.00 1.00 H new ATOM 0 HG21 THR A 212 -2.423 -6.365 2.639 1.00 1.00 H new ATOM 0 HG22 THR A 212 -2.119 -8.084 2.985 1.00 1.00 H new ATOM 0 HG23 THR A 212 -3.238 -7.154 4.010 1.00 1.00 H new ATOM 190 N PRO A 213 -2.792 -7.470 7.030 1.00 1.00 N ATOM 191 CA PRO A 213 -4.102 -7.766 7.663 1.00 1.00 C ATOM 192 C PRO A 213 -5.249 -7.355 6.735 1.00 1.00 C ATOM 193 O PRO A 213 -6.290 -7.978 6.707 1.00 1.00 O ATOM 194 CB PRO A 213 -4.086 -6.913 8.929 1.00 1.00 C ATOM 195 CG PRO A 213 -3.134 -5.800 8.633 1.00 1.00 C ATOM 196 CD PRO A 213 -2.104 -6.348 7.680 1.00 1.00 C ATOM 0 HA PRO A 213 -4.251 -8.825 7.872 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -5.080 -6.531 9.160 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -3.759 -7.493 9.792 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.657 -4.952 8.191 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -2.662 -5.442 9.548 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -1.790 -5.597 6.955 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -1.208 -6.678 8.206 1.00 1.00 H new ATOM 204 N LEU A 214 -5.063 -6.313 5.972 1.00 1.00 N ATOM 205 CA LEU A 214 -6.143 -5.870 5.042 1.00 1.00 C ATOM 206 C LEU A 214 -5.551 -5.036 3.906 1.00 1.00 C ATOM 207 O LEU A 214 -4.733 -4.163 4.121 1.00 1.00 O ATOM 208 CB LEU A 214 -7.083 -5.021 5.897 1.00 1.00 C ATOM 209 CG LEU A 214 -8.430 -4.885 5.185 1.00 1.00 C ATOM 210 CD1 LEU A 214 -9.431 -5.871 5.790 1.00 1.00 C ATOM 211 CD2 LEU A 214 -8.954 -3.457 5.356 1.00 1.00 C ATOM 0 H LEU A 214 -4.213 -5.750 5.951 1.00 1.00 H new ATOM 0 HA LEU A 214 -6.662 -6.711 4.582 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -7.221 -5.483 6.875 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -6.648 -4.036 6.068 1.00 1.00 H new ATOM 0 HG LEU A 214 -8.303 -5.102 4.124 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -10.390 -5.773 5.282 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -9.058 -6.888 5.669 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -9.559 -5.655 6.851 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -9.914 -3.359 4.849 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -9.080 -3.240 6.417 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -8.242 -2.754 4.924 1.00 1.00 H new ATOM 223 N TRP A 215 -5.956 -5.300 2.694 1.00 1.00 N ATOM 224 CA TRP A 215 -5.417 -4.525 1.541 1.00 1.00 C ATOM 225 C TRP A 215 -6.242 -3.256 1.319 1.00 1.00 C ATOM 226 O TRP A 215 -7.452 -3.260 1.444 1.00 1.00 O ATOM 227 CB TRP A 215 -5.551 -5.467 0.347 1.00 1.00 C ATOM 228 CG TRP A 215 -4.642 -6.639 0.531 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.996 -7.813 1.101 1.00 1.00 C ATOM 230 CD2 TRP A 215 -3.240 -6.769 0.160 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.900 -8.658 1.100 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.793 -8.059 0.530 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.321 -5.902 -0.456 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -1.483 -8.474 0.295 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -1.000 -6.315 -0.693 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.584 -7.599 -0.319 1.00 1.00 C ATOM 0 H TRP A 215 -6.637 -6.019 2.452 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.387 -4.205 1.701 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.583 -5.805 0.251 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.301 -4.941 -0.574 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.974 -8.052 1.493 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.908 -9.607 1.474 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.633 -4.911 -0.749 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -1.166 -9.465 0.586 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.302 -5.640 -1.166 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.432 -7.913 -0.505 1.00 1.00 H new ATOM 247 N ARG A 216 -5.599 -2.170 0.992 1.00 1.00 N ATOM 248 CA ARG A 216 -6.346 -0.900 0.761 1.00 1.00 C ATOM 249 C ARG A 216 -6.019 -0.342 -0.628 1.00 1.00 C ATOM 250 O ARG A 216 -4.899 0.036 -0.905 1.00 1.00 O ATOM 251 CB ARG A 216 -5.854 0.052 1.850 1.00 1.00 C ATOM 252 CG ARG A 216 -7.002 0.371 2.809 1.00 1.00 C ATOM 253 CD ARG A 216 -8.177 0.958 2.021 1.00 1.00 C ATOM 254 NE ARG A 216 -8.752 2.004 2.910 1.00 1.00 N ATOM 255 CZ ARG A 216 -9.919 1.821 3.466 1.00 1.00 C ATOM 256 NH1 ARG A 216 -10.013 1.147 4.579 1.00 1.00 N ATOM 257 NH2 ARG A 216 -10.992 2.312 2.909 1.00 1.00 N ATOM 0 H ARG A 216 -4.588 -2.106 0.874 1.00 1.00 H new ATOM 0 HA ARG A 216 -7.426 -1.041 0.802 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -5.026 -0.400 2.396 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -5.476 0.970 1.401 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -7.316 -0.533 3.331 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -6.670 1.079 3.568 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -7.844 1.384 1.074 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -8.915 0.192 1.784 1.00 1.00 H new ATOM 0 HE ARG A 216 -8.234 2.865 3.085 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -9.175 0.763 5.015 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -10.925 1.004 5.013 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -10.919 2.839 2.039 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -11.903 2.169 3.344 1.00 1.00 H new ATOM 271 N ARG A 217 -6.989 -0.285 -1.498 1.00 1.00 N ATOM 272 CA ARG A 217 -6.731 0.251 -2.863 1.00 1.00 C ATOM 273 C ARG A 217 -6.963 1.763 -2.886 1.00 1.00 C ATOM 274 O ARG A 217 -7.429 2.342 -1.926 1.00 1.00 O ATOM 275 CB ARG A 217 -7.735 -0.471 -3.761 1.00 1.00 C ATOM 276 CG ARG A 217 -7.528 -1.982 -3.646 1.00 1.00 C ATOM 277 CD ARG A 217 -8.879 -2.672 -3.448 1.00 1.00 C ATOM 278 NE ARG A 217 -9.697 -2.263 -4.624 1.00 1.00 N ATOM 279 CZ ARG A 217 -10.644 -3.046 -5.064 1.00 1.00 C ATOM 280 NH1 ARG A 217 -10.456 -4.336 -5.116 1.00 1.00 N ATOM 281 NH2 ARG A 217 -11.781 -2.537 -5.456 1.00 1.00 N ATOM 0 H ARG A 217 -7.948 -0.586 -1.323 1.00 1.00 H new ATOM 0 HA ARG A 217 -5.705 0.088 -3.191 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -8.753 -0.210 -3.470 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.607 -0.153 -4.796 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -7.043 -2.362 -4.545 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -6.868 -2.206 -2.808 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -8.766 -3.755 -3.403 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -9.348 -2.362 -2.514 1.00 1.00 H new ATOM 0 HE ARG A 217 -9.517 -1.371 -5.085 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -9.568 -4.735 -4.812 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -11.198 -4.946 -5.460 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -11.928 -1.528 -5.418 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -12.522 -3.148 -5.800 1.00 1.00 H new ATOM 295 N ASP A 218 -6.628 2.409 -3.968 1.00 1.00 N ATOM 296 CA ASP A 218 -6.813 3.885 -4.040 1.00 1.00 C ATOM 297 C ASP A 218 -7.509 4.285 -5.347 1.00 1.00 C ATOM 298 O ASP A 218 -8.107 3.473 -6.023 1.00 1.00 O ATOM 299 CB ASP A 218 -5.396 4.462 -3.990 1.00 1.00 C ATOM 300 CG ASP A 218 -4.428 3.567 -4.772 1.00 1.00 C ATOM 301 OD1 ASP A 218 -4.849 3.001 -5.765 1.00 1.00 O ATOM 302 OD2 ASP A 218 -3.284 3.467 -4.362 1.00 1.00 O ATOM 0 H ASP A 218 -6.234 1.979 -4.805 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.440 4.257 -3.229 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -5.391 5.468 -4.409 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -5.067 4.547 -2.954 1.00 1.00 H new ATOM 307 N ARG A 219 -7.433 5.543 -5.697 1.00 1.00 N ATOM 308 CA ARG A 219 -8.086 6.024 -6.950 1.00 1.00 C ATOM 309 C ARG A 219 -7.712 5.137 -8.138 1.00 1.00 C ATOM 310 O ARG A 219 -8.474 4.981 -9.071 1.00 1.00 O ATOM 311 CB ARG A 219 -7.528 7.430 -7.158 1.00 1.00 C ATOM 312 CG ARG A 219 -8.640 8.458 -6.961 1.00 1.00 C ATOM 313 CD ARG A 219 -8.553 9.045 -5.550 1.00 1.00 C ATOM 314 NE ARG A 219 -9.250 8.059 -4.679 1.00 1.00 N ATOM 315 CZ ARG A 219 -9.399 8.302 -3.406 1.00 1.00 C ATOM 316 NH1 ARG A 219 -8.753 9.291 -2.849 1.00 1.00 N ATOM 317 NH2 ARG A 219 -10.193 7.557 -2.687 1.00 1.00 N ATOM 0 H ARG A 219 -6.943 6.262 -5.165 1.00 1.00 H new ATOM 0 HA ARG A 219 -9.173 6.005 -6.874 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -6.717 7.618 -6.455 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -7.108 7.521 -8.160 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -8.550 9.252 -7.702 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -9.613 7.990 -7.112 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -7.516 9.180 -5.242 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -9.031 10.023 -5.499 1.00 1.00 H new ATOM 0 HE ARG A 219 -9.611 7.193 -5.078 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -8.131 9.874 -3.409 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -8.870 9.480 -1.854 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -10.698 6.784 -3.120 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -10.309 7.748 -1.692 1.00 1.00 H new ATOM 331 N THR A 220 -6.541 4.570 -8.122 1.00 1.00 N ATOM 332 CA THR A 220 -6.120 3.711 -9.263 1.00 1.00 C ATOM 333 C THR A 220 -6.546 2.261 -9.024 1.00 1.00 C ATOM 334 O THR A 220 -7.082 1.611 -9.902 1.00 1.00 O ATOM 335 CB THR A 220 -4.599 3.841 -9.304 1.00 1.00 C ATOM 336 OG1 THR A 220 -4.041 3.230 -8.150 1.00 1.00 O ATOM 337 CG2 THR A 220 -4.225 5.325 -9.332 1.00 1.00 C ATOM 0 H THR A 220 -5.857 4.663 -7.371 1.00 1.00 H new ATOM 0 HA THR A 220 -6.578 4.012 -10.206 1.00 1.00 H new ATOM 0 HB THR A 220 -4.210 3.348 -10.195 1.00 1.00 H new ATOM 0 HG1 THR A 220 -4.485 3.577 -7.349 1.00 1.00 H new ATOM 0 HG21 THR A 220 -3.140 5.426 -9.361 1.00 1.00 H new ATOM 0 HG22 THR A 220 -4.657 5.793 -10.217 1.00 1.00 H new ATOM 0 HG23 THR A 220 -4.611 5.814 -8.438 1.00 1.00 H new ATOM 345 N GLY A 221 -6.331 1.748 -7.844 1.00 1.00 N ATOM 346 CA GLY A 221 -6.743 0.350 -7.561 1.00 1.00 C ATOM 347 C GLY A 221 -5.534 -0.495 -7.153 1.00 1.00 C ATOM 348 O GLY A 221 -5.434 -1.654 -7.503 1.00 1.00 O ATOM 0 H GLY A 221 -5.888 2.238 -7.066 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.487 0.338 -6.765 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -7.214 -0.082 -8.444 1.00 1.00 H new ATOM 352 N HIS A 222 -4.617 0.063 -6.410 1.00 1.00 N ATOM 353 CA HIS A 222 -3.431 -0.733 -5.982 1.00 1.00 C ATOM 354 C HIS A 222 -3.765 -1.518 -4.710 1.00 1.00 C ATOM 355 O HIS A 222 -4.895 -1.542 -4.269 1.00 1.00 O ATOM 356 CB HIS A 222 -2.329 0.294 -5.717 1.00 1.00 C ATOM 357 CG HIS A 222 -2.107 1.120 -6.955 1.00 1.00 C ATOM 358 ND1 HIS A 222 -2.539 0.707 -8.206 1.00 1.00 N ATOM 359 CD2 HIS A 222 -1.503 2.338 -7.150 1.00 1.00 C ATOM 360 CE1 HIS A 222 -2.192 1.660 -9.090 1.00 1.00 C ATOM 361 NE2 HIS A 222 -1.560 2.676 -8.498 1.00 1.00 N ATOM 0 H HIS A 222 -4.637 1.029 -6.083 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.124 -1.460 -6.734 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.609 0.937 -4.883 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.406 -0.212 -5.434 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.053 2.941 -6.375 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -2.399 1.609 -10.149 1.00 1.00 H new ATOM 0 HE2 HIS A 222 -1.196 3.520 -8.940 1.00 1.00 H new ATOM 369 N TYR A 223 -2.801 -2.170 -4.123 1.00 1.00 N ATOM 370 CA TYR A 223 -3.084 -2.956 -2.891 1.00 1.00 C ATOM 371 C TYR A 223 -1.957 -2.783 -1.869 1.00 1.00 C ATOM 372 O TYR A 223 -1.185 -3.687 -1.631 1.00 1.00 O ATOM 373 CB TYR A 223 -3.146 -4.404 -3.372 1.00 1.00 C ATOM 374 CG TYR A 223 -4.564 -4.752 -3.755 1.00 1.00 C ATOM 375 CD1 TYR A 223 -5.121 -4.222 -4.924 1.00 1.00 C ATOM 376 CD2 TYR A 223 -5.319 -5.607 -2.943 1.00 1.00 C ATOM 377 CE1 TYR A 223 -6.435 -4.548 -5.282 1.00 1.00 C ATOM 378 CE2 TYR A 223 -6.633 -5.932 -3.301 1.00 1.00 C ATOM 379 CZ TYR A 223 -7.190 -5.402 -4.470 1.00 1.00 C ATOM 380 OH TYR A 223 -8.485 -5.723 -4.825 1.00 1.00 O ATOM 0 H TYR A 223 -1.832 -2.193 -4.442 1.00 1.00 H new ATOM 0 HA TYR A 223 -4.003 -2.637 -2.398 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.484 -4.542 -4.227 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.796 -5.074 -2.586 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -4.538 -3.562 -5.550 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -4.888 -6.016 -2.041 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -6.866 -4.140 -6.185 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -7.216 -6.591 -2.675 1.00 1.00 H new ATOM 0 HH TYR A 223 -8.868 -6.327 -4.155 1.00 1.00 H new ATOM 390 N LEU A 224 -1.852 -1.630 -1.262 1.00 1.00 N ATOM 391 CA LEU A 224 -0.767 -1.421 -0.257 1.00 1.00 C ATOM 392 C LEU A 224 -0.913 -2.418 0.896 1.00 1.00 C ATOM 393 O LEU A 224 -1.854 -3.184 0.950 1.00 1.00 O ATOM 394 CB LEU A 224 -0.949 0.012 0.249 1.00 1.00 C ATOM 395 CG LEU A 224 0.214 0.877 -0.232 1.00 1.00 C ATOM 396 CD1 LEU A 224 0.313 0.797 -1.756 1.00 1.00 C ATOM 397 CD2 LEU A 224 -0.022 2.330 0.188 1.00 1.00 C ATOM 0 H LEU A 224 -2.465 -0.830 -1.416 1.00 1.00 H new ATOM 0 HA LEU A 224 0.222 -1.574 -0.689 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -1.893 0.419 -0.114 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -0.996 0.021 1.338 1.00 1.00 H new ATOM 0 HG LEU A 224 1.142 0.517 0.212 1.00 1.00 H new ATOM 0 HD11 LEU A 224 1.143 1.414 -2.100 1.00 1.00 H new ATOM 0 HD12 LEU A 224 0.482 -0.237 -2.056 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.615 1.157 -2.200 1.00 1.00 H new ATOM 0 HD21 LEU A 224 0.808 2.947 -0.155 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -0.950 2.691 -0.255 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -0.092 2.388 1.274 1.00 1.00 H new ATOM 409 N CYS A 225 0.011 -2.413 1.821 1.00 1.00 N ATOM 410 CA CYS A 225 -0.078 -3.356 2.972 1.00 1.00 C ATOM 411 C CYS A 225 -0.449 -2.595 4.248 1.00 1.00 C ATOM 412 O CYS A 225 0.016 -2.906 5.327 1.00 1.00 O ATOM 413 CB CYS A 225 1.318 -3.971 3.092 1.00 1.00 C ATOM 414 SG CYS A 225 2.479 -2.726 3.710 1.00 1.00 S ATOM 0 H CYS A 225 0.823 -1.796 1.828 1.00 1.00 H new ATOM 0 HA CYS A 225 -0.843 -4.119 2.826 1.00 1.00 H new ATOM 0 HB2 CYS A 225 1.293 -4.826 3.767 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.648 -4.341 2.121 1.00 1.00 H new ATOM 0 HG CYS A 225 3.617 -2.850 3.093 1.00 1.00 H new ATOM 419 N ASN A 226 -1.284 -1.598 4.130 1.00 1.00 N ATOM 420 CA ASN A 226 -1.690 -0.813 5.333 1.00 1.00 C ATOM 421 C ASN A 226 -0.499 -0.015 5.874 1.00 1.00 C ATOM 422 O ASN A 226 -0.546 1.195 5.977 1.00 1.00 O ATOM 423 CB ASN A 226 -2.148 -1.852 6.357 1.00 1.00 C ATOM 424 CG ASN A 226 -3.408 -1.348 7.063 1.00 1.00 C ATOM 425 OD1 ASN A 226 -4.112 -0.504 6.547 1.00 1.00 O ATOM 426 ND2 ASN A 226 -3.723 -1.834 8.233 1.00 1.00 N ATOM 0 H ASN A 226 -1.703 -1.292 3.252 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.477 -0.094 5.105 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -2.350 -2.802 5.862 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -1.358 -2.034 7.085 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -4.560 -1.505 8.713 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -3.132 -2.543 8.667 1.00 1.00 H new ATOM 433 N ALA A 227 0.566 -0.682 6.225 1.00 1.00 N ATOM 434 CA ALA A 227 1.755 0.040 6.763 1.00 1.00 C ATOM 435 C ALA A 227 2.220 1.114 5.777 1.00 1.00 C ATOM 436 O ALA A 227 2.711 2.156 6.166 1.00 1.00 O ATOM 437 CB ALA A 227 2.828 -1.034 6.935 1.00 1.00 C ATOM 0 H ALA A 227 0.665 -1.695 6.163 1.00 1.00 H new ATOM 0 HA ALA A 227 1.535 0.550 7.701 1.00 1.00 H new ATOM 0 HB1 ALA A 227 3.737 -0.580 7.329 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.473 -1.795 7.629 1.00 1.00 H new ATOM 0 HB3 ALA A 227 3.040 -1.494 5.970 1.00 1.00 H new ATOM 443 N CYS A 228 2.072 0.871 4.505 1.00 1.00 N ATOM 444 CA CYS A 228 2.509 1.881 3.498 1.00 1.00 C ATOM 445 C CYS A 228 1.453 2.980 3.355 1.00 1.00 C ATOM 446 O CYS A 228 1.770 4.140 3.180 1.00 1.00 O ATOM 447 CB CYS A 228 2.648 1.107 2.195 1.00 1.00 C ATOM 448 SG CYS A 228 4.226 0.218 2.186 1.00 1.00 S ATOM 0 H CYS A 228 1.668 0.018 4.118 1.00 1.00 H new ATOM 0 HA CYS A 228 3.440 2.370 3.785 1.00 1.00 H new ATOM 0 HB2 CYS A 228 1.822 0.404 2.087 1.00 1.00 H new ATOM 0 HB3 CYS A 228 2.598 1.790 1.347 1.00 1.00 H new ATOM 0 HG CYS A 228 4.066 -0.955 2.723 1.00 1.00 H new ATOM 453 N GLY A 229 0.200 2.623 3.424 1.00 1.00 N ATOM 454 CA GLY A 229 -0.875 3.643 3.289 1.00 1.00 C ATOM 455 C GLY A 229 -0.817 4.612 4.472 1.00 1.00 C ATOM 456 O GLY A 229 -1.296 5.727 4.397 1.00 1.00 O ATOM 0 H GLY A 229 -0.125 1.667 3.568 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.756 4.189 2.353 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.849 3.156 3.253 1.00 1.00 H new ATOM 460 N LEU A 230 -0.234 4.199 5.564 1.00 1.00 N ATOM 461 CA LEU A 230 -0.148 5.102 6.748 1.00 1.00 C ATOM 462 C LEU A 230 0.245 6.514 6.308 1.00 1.00 C ATOM 463 O LEU A 230 -0.499 7.458 6.483 1.00 1.00 O ATOM 464 CB LEU A 230 0.936 4.494 7.632 1.00 1.00 C ATOM 465 CG LEU A 230 0.381 4.278 9.041 1.00 1.00 C ATOM 466 CD1 LEU A 230 1.528 3.925 9.992 1.00 1.00 C ATOM 467 CD2 LEU A 230 -0.299 5.563 9.520 1.00 1.00 C ATOM 0 H LEU A 230 0.186 3.278 5.688 1.00 1.00 H new ATOM 0 HA LEU A 230 -1.100 5.187 7.273 1.00 1.00 H new ATOM 0 HB2 LEU A 230 1.273 3.546 7.213 1.00 1.00 H new ATOM 0 HB3 LEU A 230 1.803 5.153 7.668 1.00 1.00 H new ATOM 0 HG LEU A 230 -0.344 3.464 9.027 1.00 1.00 H new ATOM 0 HD11 LEU A 230 1.134 3.771 10.996 1.00 1.00 H new ATOM 0 HD12 LEU A 230 2.016 3.013 9.650 1.00 1.00 H new ATOM 0 HD13 LEU A 230 2.252 4.740 10.008 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -0.696 5.412 10.524 1.00 1.00 H new ATOM 0 HD22 LEU A 230 0.428 6.375 9.535 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -1.114 5.818 8.842 1.00 1.00 H new ATOM 479 N TYR A 231 1.408 6.667 5.739 1.00 1.00 N ATOM 480 CA TYR A 231 1.844 8.020 5.288 1.00 1.00 C ATOM 481 C TYR A 231 0.743 8.672 4.446 1.00 1.00 C ATOM 482 O TYR A 231 0.532 9.867 4.499 1.00 1.00 O ATOM 483 CB TYR A 231 3.092 7.772 4.440 1.00 1.00 C ATOM 484 CG TYR A 231 3.967 9.002 4.456 1.00 1.00 C ATOM 485 CD1 TYR A 231 3.520 10.187 3.857 1.00 1.00 C ATOM 486 CD2 TYR A 231 5.225 8.958 5.068 1.00 1.00 C ATOM 487 CE1 TYR A 231 4.333 11.326 3.872 1.00 1.00 C ATOM 488 CE2 TYR A 231 6.036 10.099 5.083 1.00 1.00 C ATOM 489 CZ TYR A 231 5.591 11.282 4.485 1.00 1.00 C ATOM 490 OH TYR A 231 6.392 12.407 4.498 1.00 1.00 O ATOM 0 H TYR A 231 2.075 5.915 5.566 1.00 1.00 H new ATOM 0 HA TYR A 231 2.047 8.690 6.123 1.00 1.00 H new ATOM 0 HB2 TYR A 231 3.644 6.916 4.828 1.00 1.00 H new ATOM 0 HB3 TYR A 231 2.806 7.530 3.416 1.00 1.00 H new ATOM 0 HD1 TYR A 231 2.550 10.221 3.384 1.00 1.00 H new ATOM 0 HD2 TYR A 231 5.570 8.044 5.529 1.00 1.00 H new ATOM 0 HE1 TYR A 231 3.990 12.240 3.410 1.00 1.00 H new ATOM 0 HE2 TYR A 231 7.006 10.065 5.557 1.00 1.00 H new ATOM 0 HH TYR A 231 7.230 12.206 4.964 1.00 1.00 H new ATOM 500 N HIS A 232 0.046 7.893 3.665 1.00 1.00 N ATOM 501 CA HIS A 232 -1.037 8.459 2.814 1.00 1.00 C ATOM 502 C HIS A 232 -2.261 8.814 3.665 1.00 1.00 C ATOM 503 O HIS A 232 -3.116 9.571 3.251 1.00 1.00 O ATOM 504 CB HIS A 232 -1.380 7.344 1.825 1.00 1.00 C ATOM 505 CG HIS A 232 -1.871 7.945 0.537 1.00 1.00 C ATOM 506 ND1 HIS A 232 -1.210 8.523 -0.518 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -3.219 7.996 0.212 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -2.128 8.925 -1.484 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -3.322 8.584 -0.994 1.00 1.00 N flip ATOM 0 H HIS A 232 0.181 6.886 3.580 1.00 1.00 H new ATOM 0 HA HIS A 232 -0.728 9.376 2.312 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -0.501 6.727 1.638 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -2.144 6.691 2.248 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -0.199 8.640 -0.584 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -4.036 7.631 0.816 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -1.919 9.409 -2.427 1.00 1.00 H new ATOM 517 N LYS A 233 -2.356 8.268 4.847 1.00 1.00 N ATOM 518 CA LYS A 233 -3.530 8.571 5.717 1.00 1.00 C ATOM 519 C LYS A 233 -3.453 10.004 6.249 1.00 1.00 C ATOM 520 O LYS A 233 -4.411 10.750 6.192 1.00 1.00 O ATOM 521 CB LYS A 233 -3.442 7.568 6.868 1.00 1.00 C ATOM 522 CG LYS A 233 -3.786 6.168 6.355 1.00 1.00 C ATOM 523 CD LYS A 233 -4.213 5.284 7.528 1.00 1.00 C ATOM 524 CE LYS A 233 -4.635 3.909 7.005 1.00 1.00 C ATOM 525 NZ LYS A 233 -3.902 2.933 7.857 1.00 1.00 N ATOM 0 H LYS A 233 -1.673 7.626 5.248 1.00 1.00 H new ATOM 0 HA LYS A 233 -4.471 8.490 5.173 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -2.438 7.574 7.293 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -4.128 7.853 7.666 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -4.588 6.226 5.619 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -2.923 5.731 5.852 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -3.391 5.179 8.236 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -5.039 5.749 8.066 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -5.713 3.770 7.084 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -4.374 3.789 5.953 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -4.140 1.965 7.559 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -2.878 3.085 7.756 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -4.176 3.066 8.851 1.00 1.00 H new ATOM 539 N MET A 234 -2.324 10.396 6.774 1.00 1.00 N ATOM 540 CA MET A 234 -2.196 11.779 7.317 1.00 1.00 C ATOM 541 C MET A 234 -1.546 12.703 6.287 1.00 1.00 C ATOM 542 O MET A 234 -2.127 13.680 5.858 1.00 1.00 O ATOM 543 CB MET A 234 -1.301 11.639 8.549 1.00 1.00 C ATOM 544 CG MET A 234 -2.140 11.176 9.741 1.00 1.00 C ATOM 545 SD MET A 234 -2.157 12.470 11.006 1.00 1.00 S ATOM 546 CE MET A 234 -2.495 11.397 12.423 1.00 1.00 C ATOM 0 H MET A 234 -1.486 9.820 6.850 1.00 1.00 H new ATOM 0 HA MET A 234 -3.165 12.214 7.560 1.00 1.00 H new ATOM 0 HB2 MET A 234 -0.503 10.923 8.352 1.00 1.00 H new ATOM 0 HB3 MET A 234 -0.824 12.593 8.775 1.00 1.00 H new ATOM 0 HG2 MET A 234 -3.157 10.954 9.419 1.00 1.00 H new ATOM 0 HG3 MET A 234 -1.728 10.255 10.153 1.00 1.00 H new ATOM 0 HE1 MET A 234 -2.548 11.999 13.330 1.00 1.00 H new ATOM 0 HE2 MET A 234 -3.444 10.883 12.272 1.00 1.00 H new ATOM 0 HE3 MET A 234 -1.696 10.662 12.522 1.00 1.00 H new ATOM 556 N ASN A 235 -0.343 12.405 5.893 1.00 1.00 N ATOM 557 CA ASN A 235 0.353 13.268 4.896 1.00 1.00 C ATOM 558 C ASN A 235 -0.307 13.133 3.521 1.00 1.00 C ATOM 559 O ASN A 235 -0.341 14.065 2.743 1.00 1.00 O ATOM 560 CB ASN A 235 1.788 12.746 4.853 1.00 1.00 C ATOM 561 CG ASN A 235 2.597 13.382 5.985 1.00 1.00 C ATOM 562 OD1 ASN A 235 2.423 14.545 6.292 1.00 1.00 O ATOM 563 ND2 ASN A 235 3.479 12.664 6.624 1.00 1.00 N ATOM 0 H ASN A 235 0.192 11.600 6.218 1.00 1.00 H new ATOM 0 HA ASN A 235 0.310 14.323 5.165 1.00 1.00 H new ATOM 0 HB2 ASN A 235 1.794 11.661 4.953 1.00 1.00 H new ATOM 0 HB3 ASN A 235 2.243 12.980 3.891 1.00 1.00 H new ATOM 0 HD21 ASN A 235 4.022 13.079 7.381 1.00 1.00 H new ATOM 0 HD22 ASN A 235 3.625 11.688 6.367 1.00 1.00 H new ATOM 570 N GLY A 236 -0.832 11.979 3.217 1.00 1.00 N ATOM 571 CA GLY A 236 -1.489 11.781 1.900 1.00 1.00 C ATOM 572 C GLY A 236 -0.435 11.452 0.841 1.00 1.00 C ATOM 573 O GLY A 236 -0.754 11.040 -0.256 1.00 1.00 O ATOM 0 H GLY A 236 -0.833 11.162 3.828 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -2.218 10.973 1.964 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -2.035 12.681 1.616 1.00 1.00 H new ATOM 577 N GLN A 237 0.819 11.624 1.160 1.00 1.00 N ATOM 578 CA GLN A 237 1.888 11.315 0.169 1.00 1.00 C ATOM 579 C GLN A 237 2.155 9.808 0.138 1.00 1.00 C ATOM 580 O GLN A 237 1.545 9.046 0.864 1.00 1.00 O ATOM 581 CB GLN A 237 3.122 12.067 0.668 1.00 1.00 C ATOM 582 CG GLN A 237 2.905 13.572 0.508 1.00 1.00 C ATOM 583 CD GLN A 237 4.169 14.319 0.934 1.00 1.00 C ATOM 584 OE1 GLN A 237 4.248 14.826 2.036 1.00 1.00 O ATOM 585 NE2 GLN A 237 5.171 14.409 0.103 1.00 1.00 N ATOM 0 H GLN A 237 1.149 11.965 2.063 1.00 1.00 H new ATOM 0 HA GLN A 237 1.613 11.612 -0.843 1.00 1.00 H new ATOM 0 HB2 GLN A 237 3.309 11.826 1.714 1.00 1.00 H new ATOM 0 HB3 GLN A 237 4.002 11.755 0.106 1.00 1.00 H new ATOM 0 HG2 GLN A 237 2.663 13.807 -0.529 1.00 1.00 H new ATOM 0 HG3 GLN A 237 2.058 13.894 1.114 1.00 1.00 H new ATOM 0 HE21 GLN A 237 5.106 13.984 -0.822 1.00 1.00 H new ATOM 0 HE22 GLN A 237 6.019 14.904 0.378 1.00 1.00 H new ATOM 594 N ASN A 238 3.059 9.371 -0.693 1.00 1.00 N ATOM 595 CA ASN A 238 3.363 7.914 -0.762 1.00 1.00 C ATOM 596 C ASN A 238 4.511 7.570 0.190 1.00 1.00 C ATOM 597 O ASN A 238 5.238 8.435 0.638 1.00 1.00 O ATOM 598 CB ASN A 238 3.773 7.663 -2.215 1.00 1.00 C ATOM 599 CG ASN A 238 2.520 7.570 -3.087 1.00 1.00 C ATOM 600 OD1 ASN A 238 1.479 7.136 -2.632 1.00 1.00 O ATOM 601 ND2 ASN A 238 2.575 7.959 -4.331 1.00 1.00 N ATOM 0 H ASN A 238 3.600 9.959 -1.327 1.00 1.00 H new ATOM 0 HA ASN A 238 2.513 7.299 -0.468 1.00 1.00 H new ATOM 0 HB2 ASN A 238 4.416 8.469 -2.568 1.00 1.00 H new ATOM 0 HB3 ASN A 238 4.349 6.741 -2.288 1.00 1.00 H new ATOM 0 HD21 ASN A 238 1.745 7.899 -4.921 1.00 1.00 H new ATOM 0 HD22 ASN A 238 3.448 8.323 -4.713 1.00 1.00 H new ATOM 608 N ARG A 239 4.681 6.315 0.506 1.00 1.00 N ATOM 609 CA ARG A 239 5.782 5.923 1.431 1.00 1.00 C ATOM 610 C ARG A 239 6.918 5.252 0.652 1.00 1.00 C ATOM 611 O ARG A 239 6.690 4.321 -0.096 1.00 1.00 O ATOM 612 CB ARG A 239 5.142 4.934 2.407 1.00 1.00 C ATOM 613 CG ARG A 239 6.228 4.291 3.271 1.00 1.00 C ATOM 614 CD ARG A 239 5.829 4.386 4.744 1.00 1.00 C ATOM 615 NE ARG A 239 6.445 3.192 5.387 1.00 1.00 N ATOM 616 CZ ARG A 239 6.948 3.283 6.588 1.00 1.00 C ATOM 617 NH1 ARG A 239 6.396 4.073 7.469 1.00 1.00 N ATOM 618 NH2 ARG A 239 8.004 2.586 6.907 1.00 1.00 N ATOM 0 H ARG A 239 4.106 5.545 0.164 1.00 1.00 H new ATOM 0 HA ARG A 239 6.216 6.781 1.944 1.00 1.00 H new ATOM 0 HB2 ARG A 239 4.417 5.448 3.039 1.00 1.00 H new ATOM 0 HB3 ARG A 239 4.598 4.166 1.858 1.00 1.00 H new ATOM 0 HG2 ARG A 239 6.364 3.248 2.986 1.00 1.00 H new ATOM 0 HG3 ARG A 239 7.182 4.793 3.108 1.00 1.00 H new ATOM 0 HD2 ARG A 239 6.195 5.309 5.193 1.00 1.00 H new ATOM 0 HD3 ARG A 239 4.745 4.382 4.861 1.00 1.00 H new ATOM 0 HE ARG A 239 6.474 2.303 4.888 1.00 1.00 H new ATOM 0 HH11 ARG A 239 5.572 4.619 7.219 1.00 1.00 H new ATOM 0 HH12 ARG A 239 6.789 4.144 8.408 1.00 1.00 H new ATOM 0 HH21 ARG A 239 8.436 1.970 6.218 1.00 1.00 H new ATOM 0 HH22 ARG A 239 8.397 2.657 7.845 1.00 1.00 H new