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 231 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 235 ASN : amide:sc= -1.61 X(o=-1.6,f=-1.3) USER MOD Set 2.1: A 220 THR OG1 : rot 167:sc= -1.33 USER MOD Set 2.2: A 222 HIS : no HD1:sc= -3.81! C(o=-5.1!,f=-10!) USER MOD Set 3.1: A 204 CYS SG : rot 158:sc= -3.46! USER MOD Set 3.2: A 207 CYS SG : rot -53:sc= -3.49! USER MOD Set 3.3: A 225 CYS SG : rot -142:sc= 0.406 USER MOD Set 3.4: A 228 CYS SG : rot 99:sc= -1.54 USER MOD Single : A 206 ASN : amide:sc= -8.54! C(o=-8.5!,f=-9.9!) USER MOD Single : A 210 THR OG1 : rot -63:sc= -3.71! USER MOD Single : A 212 THR OG1 : rot 119:sc= -1.03! USER MOD Single : A 223 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 ASN : amide:sc= -0.262 K(o=-0.26,f=-1.1) USER MOD Single : A 232 HIS :FLIP no HE2:sc= -1.1 F(o=-3.3!,f=-1.1) 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 237 GLN : amide:sc=-1.62e-06 X(o=-1.6e-06,f=0) USER MOD Single : A 238 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N ALA A 201 -0.758 -14.369 -2.513 1.00 1.00 N ATOM 37 CA ALA A 201 -1.792 -13.334 -2.225 1.00 1.00 C ATOM 38 C ALA A 201 -1.512 -12.066 -3.035 1.00 1.00 C ATOM 39 O ALA A 201 -0.798 -12.088 -4.019 1.00 1.00 O ATOM 40 CB ALA A 201 -1.663 -13.054 -0.727 1.00 1.00 C ATOM 0 HA ALA A 201 -2.795 -13.665 -2.493 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -2.393 -12.299 -0.434 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -1.846 -13.972 -0.168 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -0.658 -12.691 -0.510 1.00 1.00 H new ATOM 46 N ARG A 202 -2.066 -10.960 -2.628 1.00 1.00 N ATOM 47 CA ARG A 202 -1.834 -9.687 -3.373 1.00 1.00 C ATOM 48 C ARG A 202 -0.424 -9.161 -3.087 1.00 1.00 C ATOM 49 O ARG A 202 0.219 -9.564 -2.138 1.00 1.00 O ATOM 50 CB ARG A 202 -2.889 -8.719 -2.838 1.00 1.00 C ATOM 51 CG ARG A 202 -3.593 -8.031 -4.011 1.00 1.00 C ATOM 52 CD ARG A 202 -4.788 -8.879 -4.455 1.00 1.00 C ATOM 53 NE ARG A 202 -4.314 -9.604 -5.665 1.00 1.00 N ATOM 54 CZ ARG A 202 -5.176 -10.102 -6.507 1.00 1.00 C ATOM 55 NH1 ARG A 202 -5.831 -11.191 -6.206 1.00 1.00 N ATOM 56 NH2 ARG A 202 -5.388 -9.511 -7.652 1.00 1.00 N ATOM 0 H ARG A 202 -2.671 -10.880 -1.811 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.912 -9.816 -4.452 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.616 -9.257 -2.229 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.421 -7.975 -2.194 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -3.928 -7.037 -3.716 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -2.898 -7.900 -4.840 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -5.092 -9.574 -3.672 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -5.653 -8.255 -4.681 1.00 1.00 H new ATOM 0 HE ARG A 202 -3.314 -9.711 -5.836 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -5.669 -11.653 -5.311 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -6.505 -11.579 -6.866 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -4.879 -8.659 -7.888 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -6.062 -9.901 -8.310 1.00 1.00 H new ATOM 70 N GLU A 203 0.059 -8.260 -3.899 1.00 1.00 N ATOM 71 CA GLU A 203 1.425 -7.705 -3.670 1.00 1.00 C ATOM 72 C GLU A 203 1.338 -6.205 -3.387 1.00 1.00 C ATOM 73 O GLU A 203 0.983 -5.421 -4.244 1.00 1.00 O ATOM 74 CB GLU A 203 2.182 -7.964 -4.974 1.00 1.00 C ATOM 75 CG GLU A 203 3.205 -9.081 -4.756 1.00 1.00 C ATOM 76 CD GLU A 203 3.783 -9.513 -6.104 1.00 1.00 C ATOM 77 OE1 GLU A 203 3.692 -8.737 -7.042 1.00 1.00 O ATOM 78 OE2 GLU A 203 4.308 -10.613 -6.176 1.00 1.00 O ATOM 0 H GLU A 203 -0.432 -7.884 -4.710 1.00 1.00 H new ATOM 0 HA GLU A 203 1.922 -8.163 -2.815 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.484 -8.244 -5.763 1.00 1.00 H new ATOM 0 HB3 GLU A 203 2.685 -7.054 -5.302 1.00 1.00 H new ATOM 0 HG2 GLU A 203 4.004 -8.734 -4.100 1.00 1.00 H new ATOM 0 HG3 GLU A 203 2.733 -9.930 -4.262 1.00 1.00 H new ATOM 85 N CYS A 204 1.658 -5.797 -2.189 1.00 1.00 N ATOM 86 CA CYS A 204 1.587 -4.350 -1.854 1.00 1.00 C ATOM 87 C CYS A 204 2.329 -3.526 -2.907 1.00 1.00 C ATOM 88 O CYS A 204 3.535 -3.593 -3.026 1.00 1.00 O ATOM 89 CB CYS A 204 2.279 -4.224 -0.500 1.00 1.00 C ATOM 90 SG CYS A 204 2.178 -2.514 0.069 1.00 1.00 S ATOM 0 H CYS A 204 1.965 -6.404 -1.429 1.00 1.00 H new ATOM 0 HA CYS A 204 0.561 -3.984 -1.826 1.00 1.00 H new ATOM 0 HB2 CYS A 204 1.808 -4.888 0.225 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.322 -4.530 -0.582 1.00 1.00 H new ATOM 0 HG CYS A 204 2.314 -2.478 1.361 1.00 1.00 H new ATOM 95 N VAL A 205 1.616 -2.741 -3.663 1.00 1.00 N ATOM 96 CA VAL A 205 2.278 -1.904 -4.700 1.00 1.00 C ATOM 97 C VAL A 205 3.444 -1.122 -4.085 1.00 1.00 C ATOM 98 O VAL A 205 4.315 -0.640 -4.782 1.00 1.00 O ATOM 99 CB VAL A 205 1.187 -0.948 -5.183 1.00 1.00 C ATOM 100 CG1 VAL A 205 0.076 -1.746 -5.867 1.00 1.00 C ATOM 101 CG2 VAL A 205 0.605 -0.195 -3.985 1.00 1.00 C ATOM 0 H VAL A 205 0.602 -2.643 -3.608 1.00 1.00 H new ATOM 0 HA VAL A 205 2.692 -2.500 -5.514 1.00 1.00 H new ATOM 0 HB VAL A 205 1.614 -0.237 -5.890 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.702 -1.065 -6.211 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.488 -2.287 -6.719 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -0.351 -2.456 -5.159 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -0.173 0.487 -4.327 1.00 1.00 H new ATOM 0 HG22 VAL A 205 0.178 -0.908 -3.280 1.00 1.00 H new ATOM 0 HG23 VAL A 205 1.395 0.373 -3.493 1.00 1.00 H new ATOM 111 N ASN A 206 3.462 -0.980 -2.785 1.00 1.00 N ATOM 112 CA ASN A 206 4.564 -0.216 -2.134 1.00 1.00 C ATOM 113 C ASN A 206 5.720 -1.138 -1.725 1.00 1.00 C ATOM 114 O ASN A 206 6.836 -0.969 -2.172 1.00 1.00 O ATOM 115 CB ASN A 206 3.924 0.419 -0.898 1.00 1.00 C ATOM 116 CG ASN A 206 3.361 1.792 -1.265 1.00 1.00 C ATOM 117 OD1 ASN A 206 3.184 2.636 -0.410 1.00 1.00 O ATOM 118 ND2 ASN A 206 3.072 2.054 -2.510 1.00 1.00 N ATOM 0 H ASN A 206 2.762 -1.360 -2.148 1.00 1.00 H new ATOM 0 HA ASN A 206 4.992 0.524 -2.810 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.129 -0.222 -0.517 1.00 1.00 H new ATOM 0 HB3 ASN A 206 4.663 0.518 -0.103 1.00 1.00 H new ATOM 0 HD21 ASN A 206 2.697 2.968 -2.765 1.00 1.00 H new ATOM 0 HD22 ASN A 206 3.221 1.345 -3.228 1.00 1.00 H new ATOM 125 N CYS A 207 5.478 -2.096 -0.866 1.00 1.00 N ATOM 126 CA CYS A 207 6.585 -2.982 -0.435 1.00 1.00 C ATOM 127 C CYS A 207 6.353 -4.435 -0.892 1.00 1.00 C ATOM 128 O CYS A 207 7.170 -5.302 -0.662 1.00 1.00 O ATOM 129 CB CYS A 207 6.607 -2.841 1.092 1.00 1.00 C ATOM 130 SG CYS A 207 5.249 -3.766 1.851 1.00 1.00 S ATOM 0 H CYS A 207 4.568 -2.297 -0.451 1.00 1.00 H new ATOM 0 HA CYS A 207 7.543 -2.707 -0.878 1.00 1.00 H new ATOM 0 HB2 CYS A 207 7.559 -3.203 1.480 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.531 -1.788 1.364 1.00 1.00 H new ATOM 0 HG CYS A 207 4.124 -3.409 1.307 1.00 1.00 H new ATOM 135 N GLY A 208 5.262 -4.699 -1.570 1.00 1.00 N ATOM 136 CA GLY A 208 5.002 -6.086 -2.075 1.00 1.00 C ATOM 137 C GLY A 208 4.499 -6.987 -0.946 1.00 1.00 C ATOM 138 O GLY A 208 4.266 -8.165 -1.134 1.00 1.00 O ATOM 0 H GLY A 208 4.540 -4.015 -1.796 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.265 -6.054 -2.877 1.00 1.00 H new ATOM 0 HA3 GLY A 208 5.916 -6.501 -2.499 1.00 1.00 H new ATOM 142 N ALA A 209 4.330 -6.443 0.218 1.00 1.00 N ATOM 143 CA ALA A 209 3.841 -7.254 1.368 1.00 1.00 C ATOM 144 C ALA A 209 2.588 -8.037 0.975 1.00 1.00 C ATOM 145 O ALA A 209 1.515 -7.481 0.850 1.00 1.00 O ATOM 146 CB ALA A 209 3.504 -6.228 2.447 1.00 1.00 C ATOM 0 H ALA A 209 4.510 -5.462 0.429 1.00 1.00 H new ATOM 0 HA ALA A 209 4.579 -7.984 1.702 1.00 1.00 H new ATOM 0 HB1 ALA A 209 3.134 -6.741 3.335 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.399 -5.661 2.702 1.00 1.00 H new ATOM 0 HB3 ALA A 209 2.737 -5.548 2.076 1.00 1.00 H new ATOM 152 N THR A 210 2.707 -9.323 0.792 1.00 1.00 N ATOM 153 CA THR A 210 1.508 -10.129 0.420 1.00 1.00 C ATOM 154 C THR A 210 1.020 -10.931 1.628 1.00 1.00 C ATOM 155 O THR A 210 0.352 -11.938 1.492 1.00 1.00 O ATOM 156 CB THR A 210 1.959 -11.060 -0.707 1.00 1.00 C ATOM 157 OG1 THR A 210 1.007 -12.102 -0.866 1.00 1.00 O ATOM 158 CG2 THR A 210 3.320 -11.661 -0.368 1.00 1.00 C ATOM 0 H THR A 210 3.576 -9.849 0.883 1.00 1.00 H new ATOM 0 HA THR A 210 0.679 -9.499 0.099 1.00 1.00 H new ATOM 0 HB THR A 210 2.039 -10.492 -1.634 1.00 1.00 H new ATOM 0 HG1 THR A 210 0.967 -12.637 -0.046 1.00 1.00 H new ATOM 0 HG21 THR A 210 3.636 -12.323 -1.174 1.00 1.00 H new ATOM 0 HG22 THR A 210 4.051 -10.861 -0.247 1.00 1.00 H new ATOM 0 HG23 THR A 210 3.246 -12.228 0.560 1.00 1.00 H new ATOM 166 N ALA A 211 1.342 -10.481 2.809 1.00 1.00 N ATOM 167 CA ALA A 211 0.892 -11.199 4.035 1.00 1.00 C ATOM 168 C ALA A 211 0.128 -10.231 4.941 1.00 1.00 C ATOM 169 O ALA A 211 -0.065 -10.480 6.115 1.00 1.00 O ATOM 170 CB ALA A 211 2.180 -11.670 4.714 1.00 1.00 C ATOM 0 H ALA A 211 1.899 -9.644 2.979 1.00 1.00 H new ATOM 0 HA ALA A 211 0.226 -12.033 3.815 1.00 1.00 H new ATOM 0 HB1 ALA A 211 1.933 -12.210 5.628 1.00 1.00 H new ATOM 0 HB2 ALA A 211 2.727 -12.329 4.040 1.00 1.00 H new ATOM 0 HB3 ALA A 211 2.799 -10.807 4.958 1.00 1.00 H new ATOM 176 N THR A 212 -0.304 -9.125 4.400 1.00 1.00 N ATOM 177 CA THR A 212 -1.053 -8.128 5.217 1.00 1.00 C ATOM 178 C THR A 212 -2.364 -8.730 5.726 1.00 1.00 C ATOM 179 O THR A 212 -2.907 -9.635 5.125 1.00 1.00 O ATOM 180 CB THR A 212 -1.332 -6.968 4.259 1.00 1.00 C ATOM 181 OG1 THR A 212 -2.190 -6.027 4.892 1.00 1.00 O ATOM 182 CG2 THR A 212 -2.000 -7.503 2.990 1.00 1.00 C ATOM 0 H THR A 212 -0.170 -8.868 3.422 1.00 1.00 H new ATOM 0 HA THR A 212 -0.492 -7.810 6.096 1.00 1.00 H new ATOM 0 HB THR A 212 -0.394 -6.480 3.994 1.00 1.00 H new ATOM 0 HG1 THR A 212 -1.735 -5.161 4.956 1.00 1.00 H new ATOM 0 HG21 THR A 212 -2.199 -6.677 2.307 1.00 1.00 H new ATOM 0 HG22 THR A 212 -1.339 -8.222 2.506 1.00 1.00 H new ATOM 0 HG23 THR A 212 -2.939 -7.992 3.251 1.00 1.00 H new ATOM 190 N PRO A 213 -2.828 -8.200 6.825 1.00 1.00 N ATOM 191 CA PRO A 213 -4.092 -8.682 7.430 1.00 1.00 C ATOM 192 C PRO A 213 -5.290 -8.205 6.604 1.00 1.00 C ATOM 193 O PRO A 213 -6.330 -8.833 6.579 1.00 1.00 O ATOM 194 CB PRO A 213 -4.095 -8.037 8.814 1.00 1.00 C ATOM 195 CG PRO A 213 -3.239 -6.818 8.674 1.00 1.00 C ATOM 196 CD PRO A 213 -2.225 -7.109 7.599 1.00 1.00 C ATOM 0 HA PRO A 213 -4.162 -9.769 7.472 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -5.106 -7.776 9.126 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -3.695 -8.716 9.567 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.844 -5.951 8.408 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -2.744 -6.584 9.617 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -2.041 -6.233 6.977 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -1.266 -7.405 8.025 1.00 1.00 H new ATOM 204 N LEU A 214 -5.150 -7.097 5.928 1.00 1.00 N ATOM 205 CA LEU A 214 -6.278 -6.576 5.104 1.00 1.00 C ATOM 206 C LEU A 214 -5.750 -5.628 4.022 1.00 1.00 C ATOM 207 O LEU A 214 -5.057 -4.672 4.307 1.00 1.00 O ATOM 208 CB LEU A 214 -7.170 -5.820 6.091 1.00 1.00 C ATOM 209 CG LEU A 214 -8.614 -5.826 5.586 1.00 1.00 C ATOM 210 CD1 LEU A 214 -9.266 -7.170 5.916 1.00 1.00 C ATOM 211 CD2 LEU A 214 -9.396 -4.701 6.268 1.00 1.00 C ATOM 0 H LEU A 214 -4.303 -6.530 5.911 1.00 1.00 H new ATOM 0 HA LEU A 214 -6.818 -7.372 4.591 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -7.116 -6.285 7.075 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -6.818 -4.795 6.203 1.00 1.00 H new ATOM 0 HG LEU A 214 -8.621 -5.674 4.507 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -10.295 -7.173 5.556 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -8.710 -7.973 5.432 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -9.259 -7.323 6.995 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -10.425 -4.704 5.909 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -9.387 -4.854 7.347 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -8.933 -3.742 6.034 1.00 1.00 H new ATOM 223 N TRP A 215 -6.074 -5.886 2.784 1.00 1.00 N ATOM 224 CA TRP A 215 -5.589 -5.000 1.688 1.00 1.00 C ATOM 225 C TRP A 215 -6.493 -3.773 1.562 1.00 1.00 C ATOM 226 O TRP A 215 -7.598 -3.748 2.066 1.00 1.00 O ATOM 227 CB TRP A 215 -5.670 -5.854 0.423 1.00 1.00 C ATOM 228 CG TRP A 215 -4.688 -6.978 0.512 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.948 -8.192 1.046 1.00 1.00 C ATOM 230 CD2 TRP A 215 -3.300 -7.015 0.061 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.810 -8.972 0.956 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.769 -8.293 0.356 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.460 -6.077 -0.567 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -1.454 -8.629 0.042 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -1.133 -6.412 -0.886 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.630 -7.686 -0.582 1.00 1.00 C ATOM 0 H TRP A 215 -6.653 -6.671 2.485 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.578 -4.634 1.870 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.679 -6.248 0.302 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.460 -5.243 -0.455 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.890 -8.502 1.473 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.747 -9.933 1.292 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.837 -5.094 -0.805 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -1.073 -9.611 0.279 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.497 -5.685 -1.368 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.391 -7.938 -0.829 1.00 1.00 H new ATOM 247 N ARG A 216 -6.035 -2.754 0.886 1.00 1.00 N ATOM 248 CA ARG A 216 -6.866 -1.528 0.722 1.00 1.00 C ATOM 249 C ARG A 216 -6.366 -0.720 -0.478 1.00 1.00 C ATOM 250 O ARG A 216 -5.235 -0.276 -0.511 1.00 1.00 O ATOM 251 CB ARG A 216 -6.679 -0.744 2.021 1.00 1.00 C ATOM 252 CG ARG A 216 -7.792 0.296 2.154 1.00 1.00 C ATOM 253 CD ARG A 216 -9.152 -0.405 2.145 1.00 1.00 C ATOM 254 NE ARG A 216 -10.119 0.631 2.606 1.00 1.00 N ATOM 255 CZ ARG A 216 -10.189 0.940 3.872 1.00 1.00 C ATOM 256 NH1 ARG A 216 -9.364 1.818 4.375 1.00 1.00 N ATOM 257 NH2 ARG A 216 -11.083 0.374 4.635 1.00 1.00 N ATOM 0 H ARG A 216 -5.119 -2.718 0.439 1.00 1.00 H new ATOM 0 HA ARG A 216 -7.916 -1.755 0.539 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -6.697 -1.423 2.874 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -5.706 -0.253 2.025 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -7.668 0.860 3.079 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -7.735 1.012 1.334 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -9.404 -0.765 1.148 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -9.155 -1.271 2.807 1.00 1.00 H new ATOM 0 HE ARG A 216 -10.726 1.098 1.932 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -8.666 2.262 3.779 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -9.418 2.060 5.364 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -11.729 -0.311 4.242 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -11.136 0.617 5.624 1.00 1.00 H new ATOM 271 N ARG A 217 -7.196 -0.535 -1.469 1.00 1.00 N ATOM 272 CA ARG A 217 -6.763 0.232 -2.670 1.00 1.00 C ATOM 273 C ARG A 217 -7.057 1.723 -2.491 1.00 1.00 C ATOM 274 O ARG A 217 -7.860 2.118 -1.672 1.00 1.00 O ATOM 275 CB ARG A 217 -7.590 -0.332 -3.826 1.00 1.00 C ATOM 276 CG ARG A 217 -7.692 -1.855 -3.707 1.00 1.00 C ATOM 277 CD ARG A 217 -9.147 -2.246 -3.430 1.00 1.00 C ATOM 278 NE ARG A 217 -9.750 -2.457 -4.775 1.00 1.00 N ATOM 279 CZ ARG A 217 -11.001 -2.154 -4.984 1.00 1.00 C ATOM 280 NH1 ARG A 217 -11.443 -0.965 -4.680 1.00 1.00 N ATOM 281 NH2 ARG A 217 -11.810 -3.041 -5.496 1.00 1.00 N ATOM 0 H ARG A 217 -8.155 -0.882 -1.498 1.00 1.00 H new ATOM 0 HA ARG A 217 -5.691 0.137 -2.845 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -8.587 0.109 -3.819 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.130 -0.064 -4.777 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -7.346 -2.327 -4.626 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -7.048 -2.212 -2.903 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -9.205 -3.151 -2.825 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -9.669 -1.462 -2.882 1.00 1.00 H new ATOM 0 HE ARG A 217 -9.184 -2.839 -5.533 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -10.810 -0.273 -4.279 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -12.421 -0.727 -4.843 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -11.464 -3.971 -5.732 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -12.789 -2.804 -5.660 1.00 1.00 H new ATOM 295 N ASP A 218 -6.408 2.551 -3.264 1.00 1.00 N ATOM 296 CA ASP A 218 -6.638 4.015 -3.158 1.00 1.00 C ATOM 297 C ASP A 218 -7.094 4.569 -4.512 1.00 1.00 C ATOM 298 O ASP A 218 -7.549 3.836 -5.368 1.00 1.00 O ATOM 299 CB ASP A 218 -5.276 4.596 -2.773 1.00 1.00 C ATOM 300 CG ASP A 218 -4.175 3.926 -3.601 1.00 1.00 C ATOM 301 OD1 ASP A 218 -4.506 3.298 -4.593 1.00 1.00 O ATOM 302 OD2 ASP A 218 -3.020 4.052 -3.229 1.00 1.00 O ATOM 0 H ASP A 218 -5.725 2.272 -3.968 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.410 4.267 -2.431 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -5.268 5.673 -2.943 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -5.091 4.440 -1.710 1.00 1.00 H new ATOM 307 N ARG A 219 -6.972 5.851 -4.716 1.00 1.00 N ATOM 308 CA ARG A 219 -7.396 6.438 -6.021 1.00 1.00 C ATOM 309 C ARG A 219 -6.772 5.654 -7.175 1.00 1.00 C ATOM 310 O ARG A 219 -7.320 5.581 -8.256 1.00 1.00 O ATOM 311 CB ARG A 219 -6.857 7.866 -6.012 1.00 1.00 C ATOM 312 CG ARG A 219 -8.017 8.855 -6.137 1.00 1.00 C ATOM 313 CD ARG A 219 -8.363 9.419 -4.755 1.00 1.00 C ATOM 314 NE ARG A 219 -9.319 8.439 -4.167 1.00 1.00 N ATOM 315 CZ ARG A 219 -10.598 8.702 -4.151 1.00 1.00 C ATOM 316 NH1 ARG A 219 -11.057 9.673 -3.411 1.00 1.00 N ATOM 317 NH2 ARG A 219 -11.418 7.991 -4.877 1.00 1.00 N ATOM 0 H ARG A 219 -6.599 6.517 -4.039 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.478 6.408 -6.151 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -6.306 8.051 -5.090 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -6.157 8.006 -6.835 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -7.746 9.665 -6.814 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -8.887 8.358 -6.566 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -7.472 9.521 -4.136 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -8.811 10.409 -4.834 1.00 1.00 H new ATOM 0 HE ARG A 219 -8.974 7.562 -3.777 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -10.417 10.228 -2.844 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -12.056 9.877 -3.400 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -11.059 7.231 -5.456 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -12.417 8.195 -4.866 1.00 1.00 H new ATOM 331 N THR A 220 -5.625 5.077 -6.954 1.00 1.00 N ATOM 332 CA THR A 220 -4.964 4.308 -8.043 1.00 1.00 C ATOM 333 C THR A 220 -5.415 2.846 -8.014 1.00 1.00 C ATOM 334 O THR A 220 -4.965 2.030 -8.793 1.00 1.00 O ATOM 335 CB THR A 220 -3.466 4.416 -7.751 1.00 1.00 C ATOM 336 OG1 THR A 220 -3.140 3.582 -6.645 1.00 1.00 O ATOM 337 CG2 THR A 220 -3.111 5.867 -7.423 1.00 1.00 C ATOM 0 H THR A 220 -5.118 5.104 -6.069 1.00 1.00 H new ATOM 0 HA THR A 220 -5.216 4.694 -9.031 1.00 1.00 H new ATOM 0 HB THR A 220 -2.900 4.097 -8.626 1.00 1.00 H new ATOM 0 HG1 THR A 220 -2.166 3.490 -6.581 1.00 1.00 H new ATOM 0 HG21 THR A 220 -2.044 5.942 -7.215 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.361 6.504 -8.272 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.675 6.191 -6.548 1.00 1.00 H new ATOM 345 N GLY A 221 -6.307 2.510 -7.123 1.00 1.00 N ATOM 346 CA GLY A 221 -6.795 1.105 -7.046 1.00 1.00 C ATOM 347 C GLY A 221 -5.630 0.163 -6.733 1.00 1.00 C ATOM 348 O GLY A 221 -5.616 -0.979 -7.148 1.00 1.00 O ATOM 0 H GLY A 221 -6.719 3.150 -6.444 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.560 1.019 -6.275 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -7.260 0.821 -7.990 1.00 1.00 H new ATOM 352 N HIS A 222 -4.654 0.627 -6.000 1.00 1.00 N ATOM 353 CA HIS A 222 -3.496 -0.252 -5.661 1.00 1.00 C ATOM 354 C HIS A 222 -3.871 -1.189 -4.510 1.00 1.00 C ATOM 355 O HIS A 222 -5.031 -1.372 -4.204 1.00 1.00 O ATOM 356 CB HIS A 222 -2.382 0.705 -5.237 1.00 1.00 C ATOM 357 CG HIS A 222 -1.643 1.181 -6.458 1.00 1.00 C ATOM 358 ND1 HIS A 222 -0.989 2.404 -6.498 1.00 1.00 N ATOM 359 CD2 HIS A 222 -1.447 0.613 -7.692 1.00 1.00 C ATOM 360 CE1 HIS A 222 -0.435 2.527 -7.717 1.00 1.00 C ATOM 361 NE2 HIS A 222 -0.684 1.464 -8.485 1.00 1.00 N ATOM 0 H HIS A 222 -4.608 1.573 -5.622 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.192 -0.881 -6.498 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.802 1.554 -4.698 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.696 0.203 -4.555 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.828 -0.349 -8.001 1.00 1.00 H new ATOM 0 HE1 HIS A 222 0.142 3.383 -8.036 1.00 1.00 H new ATOM 0 HE2 HIS A 222 -0.380 1.309 -9.446 1.00 1.00 H new ATOM 369 N TYR A 223 -2.903 -1.792 -3.874 1.00 1.00 N ATOM 370 CA TYR A 223 -3.218 -2.717 -2.755 1.00 1.00 C ATOM 371 C TYR A 223 -2.157 -2.615 -1.655 1.00 1.00 C ATOM 372 O TYR A 223 -1.478 -3.574 -1.350 1.00 1.00 O ATOM 373 CB TYR A 223 -3.188 -4.104 -3.389 1.00 1.00 C ATOM 374 CG TYR A 223 -4.557 -4.445 -3.930 1.00 1.00 C ATOM 375 CD1 TYR A 223 -5.661 -4.477 -3.071 1.00 1.00 C ATOM 376 CD2 TYR A 223 -4.719 -4.727 -5.290 1.00 1.00 C ATOM 377 CE1 TYR A 223 -6.929 -4.792 -3.575 1.00 1.00 C ATOM 378 CE2 TYR A 223 -5.986 -5.042 -5.794 1.00 1.00 C ATOM 379 CZ TYR A 223 -7.091 -5.074 -4.936 1.00 1.00 C ATOM 380 OH TYR A 223 -8.342 -5.384 -5.432 1.00 1.00 O ATOM 0 H TYR A 223 -1.911 -1.683 -4.083 1.00 1.00 H new ATOM 0 HA TYR A 223 -4.176 -2.489 -2.288 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.452 -4.132 -4.192 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.883 -4.846 -2.651 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -5.535 -4.259 -2.021 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -3.866 -4.702 -5.952 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -7.782 -4.817 -2.913 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -6.111 -5.260 -6.844 1.00 1.00 H new ATOM 0 HH TYR A 223 -8.280 -5.552 -6.396 1.00 1.00 H new ATOM 390 N LEU A 224 -2.010 -1.467 -1.051 1.00 1.00 N ATOM 391 CA LEU A 224 -0.991 -1.333 0.031 1.00 1.00 C ATOM 392 C LEU A 224 -1.198 -2.435 1.074 1.00 1.00 C ATOM 393 O LEU A 224 -2.210 -3.107 1.083 1.00 1.00 O ATOM 394 CB LEU A 224 -1.229 0.047 0.645 1.00 1.00 C ATOM 395 CG LEU A 224 -0.758 1.129 -0.328 1.00 1.00 C ATOM 396 CD1 LEU A 224 -1.227 2.500 0.163 1.00 1.00 C ATOM 397 CD2 LEU A 224 0.771 1.112 -0.406 1.00 1.00 C ATOM 0 H LEU A 224 -2.545 -0.623 -1.257 1.00 1.00 H new ATOM 0 HA LEU A 224 0.028 -1.430 -0.343 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -2.288 0.180 0.868 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -0.692 0.134 1.589 1.00 1.00 H new ATOM 0 HG LEU A 224 -1.177 0.935 -1.316 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -0.891 3.270 -0.531 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -2.315 2.513 0.220 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.810 2.695 1.151 1.00 1.00 H new ATOM 0 HD21 LEU A 224 1.109 1.883 -1.099 1.00 1.00 H new ATOM 0 HD22 LEU A 224 1.188 1.305 0.582 1.00 1.00 H new ATOM 0 HD23 LEU A 224 1.107 0.136 -0.757 1.00 1.00 H new ATOM 409 N CYS A 225 -0.252 -2.629 1.952 1.00 1.00 N ATOM 410 CA CYS A 225 -0.411 -3.695 2.984 1.00 1.00 C ATOM 411 C CYS A 225 -0.923 -3.093 4.296 1.00 1.00 C ATOM 412 O CYS A 225 -1.722 -3.690 4.989 1.00 1.00 O ATOM 413 CB CYS A 225 0.985 -4.289 3.170 1.00 1.00 C ATOM 414 SG CYS A 225 2.113 -3.014 3.781 1.00 1.00 S ATOM 0 H CYS A 225 0.619 -2.100 2.000 1.00 1.00 H new ATOM 0 HA CYS A 225 -1.134 -4.453 2.682 1.00 1.00 H new ATOM 0 HB2 CYS A 225 0.946 -5.121 3.873 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.350 -4.688 2.224 1.00 1.00 H new ATOM 0 HG CYS A 225 3.281 -3.167 3.230 1.00 1.00 H new ATOM 419 N ASN A 226 -0.475 -1.916 4.643 1.00 1.00 N ATOM 420 CA ASN A 226 -0.950 -1.292 5.913 1.00 1.00 C ATOM 421 C ASN A 226 -0.192 0.010 6.195 1.00 1.00 C ATOM 422 O ASN A 226 -0.733 1.092 6.080 1.00 1.00 O ATOM 423 CB ASN A 226 -0.652 -2.328 6.998 1.00 1.00 C ATOM 424 CG ASN A 226 -1.929 -2.622 7.788 1.00 1.00 C ATOM 425 OD1 ASN A 226 -3.010 -2.621 7.236 1.00 1.00 O ATOM 426 ND2 ASN A 226 -1.848 -2.874 9.066 1.00 1.00 N ATOM 0 H ASN A 226 0.194 -1.363 4.107 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.008 -1.034 5.868 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -0.272 -3.244 6.546 1.00 1.00 H new ATOM 0 HB3 ASN A 226 0.125 -1.957 7.667 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -2.694 -3.070 9.602 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -0.939 -2.875 9.529 1.00 1.00 H new ATOM 433 N ALA A 227 1.051 -0.088 6.580 1.00 1.00 N ATOM 434 CA ALA A 227 1.839 1.142 6.889 1.00 1.00 C ATOM 435 C ALA A 227 2.228 1.884 5.605 1.00 1.00 C ATOM 436 O ALA A 227 2.561 3.053 5.636 1.00 1.00 O ATOM 437 CB ALA A 227 3.087 0.637 7.612 1.00 1.00 C ATOM 0 H ALA A 227 1.556 -0.967 6.694 1.00 1.00 H new ATOM 0 HA ALA A 227 1.267 1.848 7.491 1.00 1.00 H new ATOM 0 HB1 ALA A 227 3.722 1.483 7.875 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.793 0.108 8.519 1.00 1.00 H new ATOM 0 HB3 ALA A 227 3.637 -0.040 6.959 1.00 1.00 H new ATOM 443 N CYS A 228 2.199 1.222 4.482 1.00 1.00 N ATOM 444 CA CYS A 228 2.579 1.905 3.209 1.00 1.00 C ATOM 445 C CYS A 228 1.552 2.984 2.851 1.00 1.00 C ATOM 446 O CYS A 228 1.847 3.916 2.128 1.00 1.00 O ATOM 447 CB CYS A 228 2.579 0.808 2.155 1.00 1.00 C ATOM 448 SG CYS A 228 4.080 -0.194 2.305 1.00 1.00 S ATOM 0 H CYS A 228 1.930 0.242 4.388 1.00 1.00 H new ATOM 0 HA CYS A 228 3.547 2.401 3.287 1.00 1.00 H new ATOM 0 HB2 CYS A 228 1.698 0.178 2.274 1.00 1.00 H new ATOM 0 HB3 CYS A 228 2.524 1.249 1.160 1.00 1.00 H new ATOM 0 HG CYS A 228 3.810 -1.285 2.958 1.00 1.00 H new ATOM 453 N GLY A 229 0.349 2.862 3.340 1.00 1.00 N ATOM 454 CA GLY A 229 -0.694 3.878 3.016 1.00 1.00 C ATOM 455 C GLY A 229 -0.740 4.948 4.108 1.00 1.00 C ATOM 456 O GLY A 229 -1.244 6.034 3.902 1.00 1.00 O ATOM 0 H GLY A 229 0.042 2.104 3.949 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.477 4.339 2.053 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.668 3.396 2.927 1.00 1.00 H new ATOM 460 N LEU A 230 -0.220 4.653 5.270 1.00 1.00 N ATOM 461 CA LEU A 230 -0.240 5.659 6.372 1.00 1.00 C ATOM 462 C LEU A 230 0.106 7.048 5.828 1.00 1.00 C ATOM 463 O LEU A 230 -0.523 8.032 6.164 1.00 1.00 O ATOM 464 CB LEU A 230 0.824 5.192 7.360 1.00 1.00 C ATOM 465 CG LEU A 230 0.230 5.157 8.769 1.00 1.00 C ATOM 466 CD1 LEU A 230 1.262 4.589 9.745 1.00 1.00 C ATOM 467 CD2 LEU A 230 -0.145 6.578 9.197 1.00 1.00 C ATOM 0 H LEU A 230 0.217 3.761 5.503 1.00 1.00 H new ATOM 0 HA LEU A 230 -1.222 5.736 6.839 1.00 1.00 H new ATOM 0 HB2 LEU A 230 1.185 4.202 7.081 1.00 1.00 H new ATOM 0 HB3 LEU A 230 1.682 5.864 7.332 1.00 1.00 H new ATOM 0 HG LEU A 230 -0.659 4.527 8.773 1.00 1.00 H new ATOM 0 HD11 LEU A 230 0.838 4.564 10.749 1.00 1.00 H new ATOM 0 HD12 LEU A 230 1.533 3.578 9.440 1.00 1.00 H new ATOM 0 HD13 LEU A 230 2.151 5.219 9.742 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -0.569 6.556 10.201 1.00 1.00 H new ATOM 0 HD22 LEU A 230 0.746 7.206 9.193 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -0.880 6.985 8.502 1.00 1.00 H new ATOM 479 N TYR A 231 1.102 7.134 4.989 1.00 1.00 N ATOM 480 CA TYR A 231 1.487 8.459 4.424 1.00 1.00 C ATOM 481 C TYR A 231 0.298 9.090 3.695 1.00 1.00 C ATOM 482 O TYR A 231 -0.088 10.209 3.968 1.00 1.00 O ATOM 483 CB TYR A 231 2.617 8.153 3.441 1.00 1.00 C ATOM 484 CG TYR A 231 3.556 9.332 3.367 1.00 1.00 C ATOM 485 CD1 TYR A 231 4.272 9.726 4.503 1.00 1.00 C ATOM 486 CD2 TYR A 231 3.711 10.030 2.163 1.00 1.00 C ATOM 487 CE1 TYR A 231 5.144 10.819 4.436 1.00 1.00 C ATOM 488 CE2 TYR A 231 4.582 11.123 2.096 1.00 1.00 C ATOM 489 CZ TYR A 231 5.299 11.518 3.232 1.00 1.00 C ATOM 490 OH TYR A 231 6.159 12.595 3.164 1.00 1.00 O ATOM 0 H TYR A 231 1.665 6.345 4.671 1.00 1.00 H new ATOM 0 HA TYR A 231 1.795 9.164 5.196 1.00 1.00 H new ATOM 0 HB2 TYR A 231 3.159 7.263 3.760 1.00 1.00 H new ATOM 0 HB3 TYR A 231 2.206 7.940 2.454 1.00 1.00 H new ATOM 0 HD1 TYR A 231 4.152 9.187 5.431 1.00 1.00 H new ATOM 0 HD2 TYR A 231 3.159 9.725 1.287 1.00 1.00 H new ATOM 0 HE1 TYR A 231 5.697 11.123 5.312 1.00 1.00 H new ATOM 0 HE2 TYR A 231 4.701 11.662 1.168 1.00 1.00 H new ATOM 0 HH TYR A 231 6.149 12.965 2.257 1.00 1.00 H new ATOM 500 N HIS A 232 -0.286 8.379 2.769 1.00 1.00 N ATOM 501 CA HIS A 232 -1.448 8.937 2.022 1.00 1.00 C ATOM 502 C HIS A 232 -2.569 9.326 2.991 1.00 1.00 C ATOM 503 O HIS A 232 -3.407 10.150 2.687 1.00 1.00 O ATOM 504 CB HIS A 232 -1.906 7.804 1.101 1.00 1.00 C ATOM 505 CG HIS A 232 -2.524 8.386 -0.141 1.00 1.00 C ATOM 506 ND1 HIS A 232 -2.009 9.177 -1.139 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -3.851 8.170 -0.477 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -2.998 9.449 -2.080 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -4.088 8.820 -1.632 1.00 1.00 N flip ATOM 0 H HIS A 232 -0.008 7.436 2.498 1.00 1.00 H new ATOM 0 HA HIS A 232 -1.186 9.837 1.466 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -1.059 7.171 0.836 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -2.628 7.171 1.617 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -1.047 9.514 -1.184 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -4.565 7.587 0.085 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -2.904 10.041 -2.978 1.00 1.00 H new ATOM 517 N LYS A 233 -2.591 8.738 4.157 1.00 1.00 N ATOM 518 CA LYS A 233 -3.660 9.075 5.141 1.00 1.00 C ATOM 519 C LYS A 233 -3.432 10.473 5.722 1.00 1.00 C ATOM 520 O LYS A 233 -4.313 11.309 5.716 1.00 1.00 O ATOM 521 CB LYS A 233 -3.538 8.013 6.235 1.00 1.00 C ATOM 522 CG LYS A 233 -3.628 6.621 5.607 1.00 1.00 C ATOM 523 CD LYS A 233 -4.417 5.693 6.531 1.00 1.00 C ATOM 524 CE LYS A 233 -5.912 5.821 6.228 1.00 1.00 C ATOM 525 NZ LYS A 233 -6.576 4.875 7.167 1.00 1.00 N ATOM 0 H LYS A 233 -1.916 8.040 4.470 1.00 1.00 H new ATOM 0 HA LYS A 233 -4.650 9.082 4.685 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -2.590 8.125 6.762 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -4.330 8.143 6.973 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -4.114 6.681 4.633 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -2.628 6.221 5.440 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -4.094 4.662 6.390 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -4.223 5.949 7.573 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -6.261 6.842 6.384 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -6.128 5.565 5.191 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -7.605 4.905 7.020 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -6.229 3.910 6.991 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -6.358 5.148 8.147 1.00 1.00 H new ATOM 539 N MET A 234 -2.257 10.733 6.228 1.00 1.00 N ATOM 540 CA MET A 234 -1.979 12.078 6.811 1.00 1.00 C ATOM 541 C MET A 234 -1.275 12.968 5.785 1.00 1.00 C ATOM 542 O MET A 234 -1.670 14.093 5.548 1.00 1.00 O ATOM 543 CB MET A 234 -1.065 11.809 8.007 1.00 1.00 C ATOM 544 CG MET A 234 -1.914 11.440 9.226 1.00 1.00 C ATOM 545 SD MET A 234 -1.497 12.536 10.605 1.00 1.00 S ATOM 546 CE MET A 234 -2.582 11.774 11.837 1.00 1.00 C ATOM 0 H MET A 234 -1.479 10.074 6.263 1.00 1.00 H new ATOM 0 HA MET A 234 -2.892 12.597 7.103 1.00 1.00 H new ATOM 0 HB2 MET A 234 -0.373 11.000 7.774 1.00 1.00 H new ATOM 0 HB3 MET A 234 -0.463 12.691 8.224 1.00 1.00 H new ATOM 0 HG2 MET A 234 -2.973 11.528 8.985 1.00 1.00 H new ATOM 0 HG3 MET A 234 -1.736 10.402 9.506 1.00 1.00 H new ATOM 0 HE1 MET A 234 -2.484 12.303 12.785 1.00 1.00 H new ATOM 0 HE2 MET A 234 -3.616 11.830 11.496 1.00 1.00 H new ATOM 0 HE3 MET A 234 -2.301 10.730 11.973 1.00 1.00 H new ATOM 556 N ASN A 235 -0.237 12.473 5.175 1.00 1.00 N ATOM 557 CA ASN A 235 0.494 13.290 4.164 1.00 1.00 C ATOM 558 C ASN A 235 -0.330 13.403 2.881 1.00 1.00 C ATOM 559 O ASN A 235 -0.404 14.448 2.266 1.00 1.00 O ATOM 560 CB ASN A 235 1.796 12.530 3.902 1.00 1.00 C ATOM 561 CG ASN A 235 2.800 12.837 5.014 1.00 1.00 C ATOM 562 OD1 ASN A 235 2.727 12.273 6.087 1.00 1.00 O ATOM 563 ND2 ASN A 235 3.741 13.717 4.802 1.00 1.00 N ATOM 0 H ASN A 235 0.139 11.538 5.331 1.00 1.00 H new ATOM 0 HA ASN A 235 0.681 14.306 4.512 1.00 1.00 H new ATOM 0 HB2 ASN A 235 1.601 11.458 3.859 1.00 1.00 H new ATOM 0 HB3 ASN A 235 2.209 12.818 2.935 1.00 1.00 H new ATOM 0 HD21 ASN A 235 4.415 13.931 5.538 1.00 1.00 H new ATOM 0 HD22 ASN A 235 3.803 14.191 3.901 1.00 1.00 H new ATOM 570 N GLY A 236 -0.956 12.334 2.478 1.00 1.00 N ATOM 571 CA GLY A 236 -1.782 12.372 1.243 1.00 1.00 C ATOM 572 C GLY A 236 -0.906 12.095 0.017 1.00 1.00 C ATOM 573 O GLY A 236 -1.392 11.705 -1.025 1.00 1.00 O ATOM 0 H GLY A 236 -0.930 11.432 2.954 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -2.579 11.631 1.306 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -2.260 13.347 1.146 1.00 1.00 H new ATOM 577 N GLN A 237 0.380 12.295 0.130 1.00 1.00 N ATOM 578 CA GLN A 237 1.274 12.042 -1.036 1.00 1.00 C ATOM 579 C GLN A 237 1.556 10.544 -1.172 1.00 1.00 C ATOM 580 O GLN A 237 0.984 9.728 -0.476 1.00 1.00 O ATOM 581 CB GLN A 237 2.562 12.805 -0.721 1.00 1.00 C ATOM 582 CG GLN A 237 2.384 14.279 -1.095 1.00 1.00 C ATOM 583 CD GLN A 237 3.696 15.030 -0.856 1.00 1.00 C ATOM 584 OE1 GLN A 237 3.757 15.925 -0.037 1.00 1.00 O ATOM 585 NE2 GLN A 237 4.756 14.702 -1.543 1.00 1.00 N ATOM 0 H GLN A 237 0.848 12.621 0.976 1.00 1.00 H new ATOM 0 HA GLN A 237 0.828 12.367 -1.976 1.00 1.00 H new ATOM 0 HB2 GLN A 237 2.802 12.714 0.338 1.00 1.00 H new ATOM 0 HB3 GLN A 237 3.397 12.376 -1.275 1.00 1.00 H new ATOM 0 HG2 GLN A 237 2.088 14.366 -2.140 1.00 1.00 H new ATOM 0 HG3 GLN A 237 1.586 14.722 -0.500 1.00 1.00 H new ATOM 0 HE21 GLN A 237 4.706 13.951 -2.231 1.00 1.00 H new ATOM 0 HE22 GLN A 237 5.635 15.197 -1.392 1.00 1.00 H new ATOM 594 N ASN A 238 2.432 10.175 -2.067 1.00 1.00 N ATOM 595 CA ASN A 238 2.748 8.729 -2.248 1.00 1.00 C ATOM 596 C ASN A 238 3.910 8.322 -1.340 1.00 1.00 C ATOM 597 O ASN A 238 4.621 9.156 -0.813 1.00 1.00 O ATOM 598 CB ASN A 238 3.144 8.593 -3.718 1.00 1.00 C ATOM 599 CG ASN A 238 1.887 8.453 -4.579 1.00 1.00 C ATOM 600 OD1 ASN A 238 1.564 9.333 -5.351 1.00 1.00 O ATOM 601 ND2 ASN A 238 1.158 7.373 -4.478 1.00 1.00 N ATOM 0 H ASN A 238 2.942 10.811 -2.680 1.00 1.00 H new ATOM 0 HA ASN A 238 1.906 8.087 -1.990 1.00 1.00 H new ATOM 0 HB2 ASN A 238 3.717 9.465 -4.033 1.00 1.00 H new ATOM 0 HB3 ASN A 238 3.788 7.724 -3.852 1.00 1.00 H new ATOM 0 HD21 ASN A 238 0.318 7.270 -5.047 1.00 1.00 H new ATOM 0 HD22 ASN A 238 1.429 6.634 -3.830 1.00 1.00 H new ATOM 608 N ARG A 239 4.109 7.046 -1.155 1.00 1.00 N ATOM 609 CA ARG A 239 5.227 6.585 -0.282 1.00 1.00 C ATOM 610 C ARG A 239 6.508 6.426 -1.104 1.00 1.00 C ATOM 611 O ARG A 239 6.473 5.975 -2.232 1.00 1.00 O ATOM 612 CB ARG A 239 4.767 5.231 0.263 1.00 1.00 C ATOM 613 CG ARG A 239 5.407 4.985 1.630 1.00 1.00 C ATOM 614 CD ARG A 239 4.986 6.094 2.600 1.00 1.00 C ATOM 615 NE ARG A 239 4.865 5.422 3.923 1.00 1.00 N ATOM 616 CZ ARG A 239 5.894 5.364 4.722 1.00 1.00 C ATOM 617 NH1 ARG A 239 7.051 4.962 4.269 1.00 1.00 N ATOM 618 NH2 ARG A 239 5.769 5.705 5.975 1.00 1.00 N ATOM 0 H ARG A 239 3.547 6.303 -1.570 1.00 1.00 H new ATOM 0 HA ARG A 239 5.449 7.293 0.516 1.00 1.00 H new ATOM 0 HB2 ARG A 239 3.681 5.213 0.350 1.00 1.00 H new ATOM 0 HB3 ARG A 239 5.045 4.436 -0.429 1.00 1.00 H new ATOM 0 HG2 ARG A 239 5.100 4.013 2.017 1.00 1.00 H new ATOM 0 HG3 ARG A 239 6.493 4.963 1.536 1.00 1.00 H new ATOM 0 HD2 ARG A 239 5.725 6.894 2.630 1.00 1.00 H new ATOM 0 HD3 ARG A 239 4.041 6.545 2.298 1.00 1.00 H new ATOM 0 HE ARG A 239 3.977 5.007 4.205 1.00 1.00 H new ATOM 0 HH11 ARG A 239 7.150 4.693 3.290 1.00 1.00 H new ATOM 0 HH12 ARG A 239 7.856 4.917 4.894 1.00 1.00 H new ATOM 0 HH21 ARG A 239 4.866 6.017 6.331 1.00 1.00 H new ATOM 0 HH22 ARG A 239 6.575 5.659 6.599 1.00 1.00 H new