USER MOD reduce.3.24.130724 H: found=0, std=0, add=340, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 342 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 206 ASN : amide:sc= -6.15! C(o=-9.1!,f=-12!) USER MOD Set 1.2: A 209 ASN :FLIP amide:sc= -2.97! C(o=-12!,f=-9.1!) USER MOD Single : A 178 SER OG : rot -150:sc= -0.318 USER MOD Single : A 180 ASN : amide:sc= -2.24! C(o=-2.2!,f=-7.5!) USER MOD Single : A 181 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 182 SER OG : rot -68:sc= 1.21 USER MOD Single : A 185 SER OG : rot 180:sc= 0 USER MOD Single : A 194 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 197 THR OG1 : rot -71:sc= 0.028 USER MOD Single : A 203 TYR OH : rot 180:sc= 0 USER MOD Single : A 204 TYR OH : rot 180:sc= 0 USER MOD Single : A 207 HIS : no HD1:sc= -0.426 X(o=-0.43,f=-0.069) USER MOD Single : A 208 LYS NZ :NH3+ -121:sc= -0.42 (180deg=-0.97!) USER MOD Single : A 210 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.028) USER MOD Single : A 211 THR OG1 : rot 180:sc= -0.377 USER MOD Single : A 212 THR OG1 : rot 21:sc= 0.176! USER MOD Single : A 213 SER OG : rot -12:sc= 0.745! USER MOD Single : A 221 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 177 20.427 -1.169 -25.107 1.00 0.00 N ATOM 2 CA GLY A 177 20.413 0.314 -25.258 1.00 0.00 C ATOM 3 C GLY A 177 19.523 0.927 -24.183 1.00 0.00 C ATOM 4 O GLY A 177 18.408 0.462 -23.946 1.00 0.00 O ATOM 0 HA2 GLY A 177 21.426 0.708 -25.175 1.00 0.00 H new ATOM 0 HA3 GLY A 177 20.046 0.586 -26.248 1.00 0.00 H new ATOM 10 N SER A 178 20.023 1.973 -23.533 1.00 0.00 N ATOM 11 CA SER A 178 19.264 2.641 -22.483 1.00 0.00 C ATOM 12 C SER A 178 18.040 3.344 -23.080 1.00 0.00 C ATOM 13 O SER A 178 18.066 3.757 -24.240 1.00 0.00 O ATOM 14 CB SER A 178 20.160 3.663 -21.774 1.00 0.00 C ATOM 15 OG SER A 178 20.952 4.339 -22.741 1.00 0.00 O ATOM 0 H SER A 178 20.944 2.374 -23.713 1.00 0.00 H new ATOM 0 HA SER A 178 18.923 1.898 -21.762 1.00 0.00 H new ATOM 0 HB2 SER A 178 19.550 4.378 -21.221 1.00 0.00 H new ATOM 0 HB3 SER A 178 20.800 3.162 -21.048 1.00 0.00 H new ATOM 0 HG SER A 178 21.803 4.608 -22.337 1.00 0.00 H new ATOM 21 N PRO A 179 16.977 3.491 -22.324 1.00 0.00 N ATOM 22 CA PRO A 179 15.733 4.162 -22.815 1.00 0.00 C ATOM 23 C PRO A 179 15.961 5.647 -23.103 1.00 0.00 C ATOM 24 O PRO A 179 15.215 6.262 -23.866 1.00 0.00 O ATOM 25 CB PRO A 179 14.730 3.959 -21.666 1.00 0.00 C ATOM 26 CG PRO A 179 15.576 3.766 -20.449 1.00 0.00 C ATOM 27 CD PRO A 179 16.832 3.040 -20.926 1.00 0.00 C ATOM 0 HA PRO A 179 15.383 3.746 -23.760 1.00 0.00 H new ATOM 0 HB2 PRO A 179 14.073 4.822 -21.558 1.00 0.00 H new ATOM 0 HB3 PRO A 179 14.093 3.093 -21.846 1.00 0.00 H new ATOM 0 HG2 PRO A 179 15.827 4.723 -19.992 1.00 0.00 H new ATOM 0 HG3 PRO A 179 15.049 3.181 -19.695 1.00 0.00 H new ATOM 0 HD2 PRO A 179 17.702 3.306 -20.326 1.00 0.00 H new ATOM 0 HD3 PRO A 179 16.719 1.958 -20.862 1.00 0.00 H new ATOM 35 N ASN A 180 16.993 6.215 -22.489 1.00 0.00 N ATOM 36 CA ASN A 180 17.306 7.626 -22.687 1.00 0.00 C ATOM 37 C ASN A 180 18.737 7.929 -22.253 1.00 0.00 C ATOM 38 O ASN A 180 18.979 8.329 -21.115 1.00 0.00 O ATOM 39 CB ASN A 180 16.332 8.493 -21.888 1.00 0.00 C ATOM 40 CG ASN A 180 16.440 8.166 -20.402 1.00 0.00 C ATOM 41 OD1 ASN A 180 17.131 7.220 -20.022 1.00 0.00 O ATOM 42 ND2 ASN A 180 15.793 8.896 -19.535 1.00 0.00 N ATOM 0 H ASN A 180 17.623 5.725 -21.854 1.00 0.00 H new ATOM 0 HA ASN A 180 17.209 7.853 -23.749 1.00 0.00 H new ATOM 0 HB2 ASN A 180 16.551 9.548 -22.053 1.00 0.00 H new ATOM 0 HB3 ASN A 180 15.312 8.322 -22.233 1.00 0.00 H new ATOM 0 HD21 ASN A 180 15.859 8.684 -18.540 1.00 0.00 H new ATOM 0 HD22 ASN A 180 15.222 9.679 -19.853 1.00 0.00 H new ATOM 49 N SER A 181 19.680 7.740 -23.170 1.00 0.00 N ATOM 50 CA SER A 181 21.086 8.002 -22.870 1.00 0.00 C ATOM 51 C SER A 181 21.362 9.502 -22.877 1.00 0.00 C ATOM 52 O SER A 181 20.599 10.280 -23.452 1.00 0.00 O ATOM 53 CB SER A 181 21.976 7.310 -23.904 1.00 0.00 C ATOM 54 OG SER A 181 21.531 7.655 -25.210 1.00 0.00 O ATOM 0 H SER A 181 19.501 7.410 -24.118 1.00 0.00 H new ATOM 0 HA SER A 181 21.309 7.608 -21.878 1.00 0.00 H new ATOM 0 HB2 SER A 181 23.014 7.613 -23.769 1.00 0.00 H new ATOM 0 HB3 SER A 181 21.939 6.229 -23.768 1.00 0.00 H new ATOM 0 HG SER A 181 22.100 7.215 -25.876 1.00 0.00 H new ATOM 60 N SER A 182 22.455 9.903 -22.236 1.00 0.00 N ATOM 61 CA SER A 182 22.820 11.314 -22.177 1.00 0.00 C ATOM 62 C SER A 182 24.177 11.489 -21.501 1.00 0.00 C ATOM 63 O SER A 182 24.258 11.939 -20.358 1.00 0.00 O ATOM 64 CB SER A 182 21.759 12.096 -21.401 1.00 0.00 C ATOM 65 OG SER A 182 22.319 13.319 -20.944 1.00 0.00 O ATOM 0 H SER A 182 23.099 9.276 -21.753 1.00 0.00 H new ATOM 0 HA SER A 182 22.881 11.696 -23.196 1.00 0.00 H new ATOM 0 HB2 SER A 182 20.897 12.293 -22.038 1.00 0.00 H new ATOM 0 HB3 SER A 182 21.402 11.507 -20.556 1.00 0.00 H new ATOM 0 HG SER A 182 22.993 13.134 -20.257 1.00 0.00 H new ATOM 71 N PRO A 183 25.236 11.141 -22.186 1.00 0.00 N ATOM 72 CA PRO A 183 26.621 11.262 -21.641 1.00 0.00 C ATOM 73 C PRO A 183 26.966 12.710 -21.280 1.00 0.00 C ATOM 74 O PRO A 183 27.028 13.576 -22.153 1.00 0.00 O ATOM 75 CB PRO A 183 27.521 10.729 -22.784 1.00 0.00 C ATOM 76 CG PRO A 183 26.606 9.962 -23.693 1.00 0.00 C ATOM 77 CD PRO A 183 25.225 10.599 -23.550 1.00 0.00 C ATOM 0 HA PRO A 183 26.751 10.705 -20.713 1.00 0.00 H new ATOM 0 HB2 PRO A 183 28.006 11.548 -23.316 1.00 0.00 H new ATOM 0 HB3 PRO A 183 28.313 10.089 -22.394 1.00 0.00 H new ATOM 0 HG2 PRO A 183 26.952 10.012 -24.725 1.00 0.00 H new ATOM 0 HG3 PRO A 183 26.578 8.908 -23.417 1.00 0.00 H new ATOM 0 HD2 PRO A 183 25.066 11.382 -24.291 1.00 0.00 H new ATOM 0 HD3 PRO A 183 24.429 9.866 -23.684 1.00 0.00 H new ATOM 85 N ALA A 184 27.194 12.964 -19.991 1.00 0.00 N ATOM 86 CA ALA A 184 27.538 14.325 -19.537 1.00 0.00 C ATOM 87 C ALA A 184 27.885 14.315 -18.051 1.00 0.00 C ATOM 88 O ALA A 184 27.695 15.309 -17.352 1.00 0.00 O ATOM 89 CB ALA A 184 26.364 15.295 -19.787 1.00 0.00 C ATOM 0 H ALA A 184 27.150 12.265 -19.250 1.00 0.00 H new ATOM 0 HA ALA A 184 28.403 14.664 -20.106 1.00 0.00 H new ATOM 0 HB1 ALA A 184 26.638 16.293 -19.445 1.00 0.00 H new ATOM 0 HB2 ALA A 184 26.138 15.326 -20.853 1.00 0.00 H new ATOM 0 HB3 ALA A 184 25.486 14.952 -19.240 1.00 0.00 H new ATOM 95 N SER A 185 28.392 13.181 -17.576 1.00 0.00 N ATOM 96 CA SER A 185 28.759 13.051 -16.171 1.00 0.00 C ATOM 97 C SER A 185 30.058 13.797 -15.883 1.00 0.00 C ATOM 98 O SER A 185 30.840 14.074 -16.792 1.00 0.00 O ATOM 99 CB SER A 185 28.924 11.574 -15.810 1.00 0.00 C ATOM 100 OG SER A 185 30.051 11.045 -16.499 1.00 0.00 O ATOM 0 H SER A 185 28.557 12.346 -18.138 1.00 0.00 H new ATOM 0 HA SER A 185 27.964 13.486 -15.566 1.00 0.00 H new ATOM 0 HB2 SER A 185 29.056 11.463 -14.734 1.00 0.00 H new ATOM 0 HB3 SER A 185 28.025 11.019 -16.079 1.00 0.00 H new ATOM 0 HG SER A 185 30.161 10.099 -16.269 1.00 0.00 H new ATOM 106 N GLY A 186 30.280 14.122 -14.611 1.00 0.00 N ATOM 107 CA GLY A 186 31.493 14.841 -14.209 1.00 0.00 C ATOM 108 C GLY A 186 31.227 15.697 -12.972 1.00 0.00 C ATOM 109 O GLY A 186 31.720 15.400 -11.884 1.00 0.00 O ATOM 0 H GLY A 186 29.643 13.902 -13.845 1.00 0.00 H new ATOM 0 HA2 GLY A 186 32.292 14.129 -14.000 1.00 0.00 H new ATOM 0 HA3 GLY A 186 31.836 15.473 -15.028 1.00 0.00 H new ATOM 113 N PRO A 187 30.458 16.744 -13.122 1.00 0.00 N ATOM 114 CA PRO A 187 30.112 17.660 -11.996 1.00 0.00 C ATOM 115 C PRO A 187 29.086 17.040 -11.052 1.00 0.00 C ATOM 116 O PRO A 187 28.754 17.608 -10.012 1.00 0.00 O ATOM 117 CB PRO A 187 29.560 18.903 -12.703 1.00 0.00 C ATOM 118 CG PRO A 187 28.987 18.391 -13.990 1.00 0.00 C ATOM 119 CD PRO A 187 29.834 17.174 -14.387 1.00 0.00 C ATOM 0 HA PRO A 187 30.967 17.884 -11.358 1.00 0.00 H new ATOM 0 HB2 PRO A 187 28.798 19.395 -12.099 1.00 0.00 H new ATOM 0 HB3 PRO A 187 30.346 19.636 -12.884 1.00 0.00 H new ATOM 0 HG2 PRO A 187 27.941 18.112 -13.866 1.00 0.00 H new ATOM 0 HG3 PRO A 187 29.023 19.158 -14.764 1.00 0.00 H new ATOM 0 HD2 PRO A 187 29.219 16.383 -14.817 1.00 0.00 H new ATOM 0 HD3 PRO A 187 30.584 17.436 -15.133 1.00 0.00 H new ATOM 127 N LEU A 188 28.606 15.860 -11.423 1.00 0.00 N ATOM 128 CA LEU A 188 27.627 15.127 -10.612 1.00 0.00 C ATOM 129 C LEU A 188 28.122 13.691 -10.383 1.00 0.00 C ATOM 130 O LEU A 188 27.826 12.800 -11.180 1.00 0.00 O ATOM 131 CB LEU A 188 26.245 15.084 -11.323 1.00 0.00 C ATOM 132 CG LEU A 188 25.443 16.388 -11.069 1.00 0.00 C ATOM 133 CD1 LEU A 188 25.802 17.475 -12.094 1.00 0.00 C ATOM 134 CD2 LEU A 188 23.940 16.092 -11.171 1.00 0.00 C ATOM 0 H LEU A 188 28.877 15.384 -12.283 1.00 0.00 H new ATOM 0 HA LEU A 188 27.516 15.641 -9.657 1.00 0.00 H new ATOM 0 HB2 LEU A 188 26.388 14.945 -12.395 1.00 0.00 H new ATOM 0 HB3 LEU A 188 25.675 14.227 -10.964 1.00 0.00 H new ATOM 0 HG LEU A 188 25.697 16.750 -10.073 1.00 0.00 H new ATOM 0 HD11 LEU A 188 25.223 18.375 -11.888 1.00 0.00 H new ATOM 0 HD12 LEU A 188 26.865 17.704 -12.024 1.00 0.00 H new ATOM 0 HD13 LEU A 188 25.573 17.118 -13.098 1.00 0.00 H new ATOM 0 HD21 LEU A 188 23.376 17.008 -10.993 1.00 0.00 H new ATOM 0 HD22 LEU A 188 23.711 15.713 -12.167 1.00 0.00 H new ATOM 0 HD23 LEU A 188 23.665 15.345 -10.426 1.00 0.00 H new ATOM 146 N PRO A 189 28.848 13.440 -9.315 1.00 0.00 N ATOM 147 CA PRO A 189 29.358 12.068 -9.002 1.00 0.00 C ATOM 148 C PRO A 189 28.218 11.061 -8.816 1.00 0.00 C ATOM 149 O PRO A 189 27.143 11.411 -8.327 1.00 0.00 O ATOM 150 CB PRO A 189 30.165 12.251 -7.697 1.00 0.00 C ATOM 151 CG PRO A 189 30.441 13.720 -7.599 1.00 0.00 C ATOM 152 CD PRO A 189 29.280 14.419 -8.301 1.00 0.00 C ATOM 0 HA PRO A 189 29.961 11.662 -9.814 1.00 0.00 H new ATOM 0 HB2 PRO A 189 29.600 11.900 -6.834 1.00 0.00 H new ATOM 0 HB3 PRO A 189 31.092 11.679 -7.726 1.00 0.00 H new ATOM 0 HG2 PRO A 189 30.512 14.034 -6.558 1.00 0.00 H new ATOM 0 HG3 PRO A 189 31.390 13.970 -8.073 1.00 0.00 H new ATOM 0 HD2 PRO A 189 28.475 14.657 -7.605 1.00 0.00 H new ATOM 0 HD3 PRO A 189 29.594 15.357 -8.758 1.00 0.00 H new ATOM 160 N GLU A 190 28.462 9.815 -9.210 1.00 0.00 N ATOM 161 CA GLU A 190 27.443 8.766 -9.079 1.00 0.00 C ATOM 162 C GLU A 190 27.033 8.616 -7.612 1.00 0.00 C ATOM 163 O GLU A 190 27.886 8.422 -6.746 1.00 0.00 O ATOM 164 CB GLU A 190 27.979 7.420 -9.604 1.00 0.00 C ATOM 165 CG GLU A 190 26.874 6.362 -9.545 1.00 0.00 C ATOM 166 CD GLU A 190 27.383 5.045 -10.125 1.00 0.00 C ATOM 167 OE1 GLU A 190 28.583 4.923 -10.306 1.00 0.00 O ATOM 168 OE2 GLU A 190 26.563 4.178 -10.379 1.00 0.00 O ATOM 0 H GLU A 190 29.343 9.504 -9.618 1.00 0.00 H new ATOM 0 HA GLU A 190 26.575 9.054 -9.672 1.00 0.00 H new ATOM 0 HB2 GLU A 190 28.332 7.534 -10.629 1.00 0.00 H new ATOM 0 HB3 GLU A 190 28.833 7.101 -9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 190 26.554 6.215 -8.513 1.00 0.00 H new ATOM 0 HG3 GLU A 190 26.002 6.703 -10.104 1.00 0.00 H new ATOM 175 N GLY A 191 25.728 8.719 -7.325 1.00 0.00 N ATOM 176 CA GLY A 191 25.242 8.601 -5.940 1.00 0.00 C ATOM 177 C GLY A 191 24.962 9.984 -5.361 1.00 0.00 C ATOM 178 O GLY A 191 25.110 10.212 -4.160 1.00 0.00 O ATOM 0 H GLY A 191 24.999 8.881 -8.020 1.00 0.00 H new ATOM 0 HA2 GLY A 191 24.334 7.998 -5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 191 25.984 8.086 -5.329 1.00 0.00 H new ATOM 182 N TRP A 192 24.554 10.902 -6.235 1.00 0.00 N ATOM 183 CA TRP A 192 24.255 12.266 -5.834 1.00 0.00 C ATOM 184 C TRP A 192 23.397 12.926 -6.905 1.00 0.00 C ATOM 185 O TRP A 192 23.916 13.569 -7.817 1.00 0.00 O ATOM 186 CB TRP A 192 25.553 13.055 -5.657 1.00 0.00 C ATOM 187 CG TRP A 192 26.313 12.520 -4.485 1.00 0.00 C ATOM 188 CD1 TRP A 192 27.351 11.655 -4.560 1.00 0.00 C ATOM 189 CD2 TRP A 192 26.118 12.805 -3.070 1.00 0.00 C ATOM 190 NE1 TRP A 192 27.804 11.391 -3.279 1.00 0.00 N ATOM 191 CE2 TRP A 192 27.078 12.078 -2.326 1.00 0.00 C ATOM 192 CE3 TRP A 192 25.213 13.616 -2.369 1.00 0.00 C ATOM 193 CZ2 TRP A 192 27.135 12.155 -0.936 1.00 0.00 C ATOM 194 CZ3 TRP A 192 25.268 13.699 -0.971 1.00 0.00 C ATOM 195 CH2 TRP A 192 26.226 12.969 -0.255 1.00 0.00 C ATOM 0 H TRP A 192 24.424 10.720 -7.230 1.00 0.00 H new ATOM 0 HA TRP A 192 23.716 12.254 -4.887 1.00 0.00 H new ATOM 0 HB2 TRP A 192 26.160 12.983 -6.560 1.00 0.00 H new ATOM 0 HB3 TRP A 192 25.330 14.111 -5.507 1.00 0.00 H new ATOM 0 HD1 TRP A 192 27.759 11.239 -5.470 1.00 0.00 H new ATOM 0 HE1 TRP A 192 28.580 10.765 -3.065 1.00 0.00 H new ATOM 0 HE3 TRP A 192 24.468 14.181 -2.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 27.876 11.590 -0.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 24.568 14.329 -0.443 1.00 0.00 H new ATOM 0 HH2 TRP A 192 26.262 13.035 0.822 1.00 0.00 H new ATOM 206 N GLU A 193 22.081 12.756 -6.794 1.00 0.00 N ATOM 207 CA GLU A 193 21.146 13.338 -7.776 1.00 0.00 C ATOM 208 C GLU A 193 20.308 14.438 -7.126 1.00 0.00 C ATOM 209 O GLU A 193 19.622 14.199 -6.141 1.00 0.00 O ATOM 210 CB GLU A 193 20.220 12.250 -8.356 1.00 0.00 C ATOM 211 CG GLU A 193 19.318 12.858 -9.433 1.00 0.00 C ATOM 212 CD GLU A 193 18.435 11.776 -10.044 1.00 0.00 C ATOM 213 OE1 GLU A 193 18.727 10.611 -9.832 1.00 0.00 O ATOM 214 OE2 GLU A 193 17.480 12.129 -10.716 1.00 0.00 O ATOM 0 H GLU A 193 21.634 12.227 -6.045 1.00 0.00 H new ATOM 0 HA GLU A 193 21.731 13.770 -8.588 1.00 0.00 H new ATOM 0 HB2 GLU A 193 20.815 11.441 -8.781 1.00 0.00 H new ATOM 0 HB3 GLU A 193 19.612 11.816 -7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 193 18.698 13.643 -9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 193 19.926 13.324 -10.208 1.00 0.00 H new ATOM 221 N GLN A 194 20.383 15.648 -7.680 1.00 0.00 N ATOM 222 CA GLN A 194 19.633 16.787 -7.133 1.00 0.00 C ATOM 223 C GLN A 194 18.138 16.664 -7.414 1.00 0.00 C ATOM 224 O GLN A 194 17.730 16.175 -8.467 1.00 0.00 O ATOM 225 CB GLN A 194 20.168 18.114 -7.715 1.00 0.00 C ATOM 226 CG GLN A 194 19.545 18.419 -9.089 1.00 0.00 C ATOM 227 CD GLN A 194 20.311 19.553 -9.763 1.00 0.00 C ATOM 228 OE1 GLN A 194 20.832 20.440 -9.086 1.00 0.00 O ATOM 229 NE2 GLN A 194 20.414 19.575 -11.063 1.00 0.00 N ATOM 0 H GLN A 194 20.949 15.868 -8.500 1.00 0.00 H new ATOM 0 HA GLN A 194 19.775 16.783 -6.052 1.00 0.00 H new ATOM 0 HB2 GLN A 194 19.949 18.929 -7.026 1.00 0.00 H new ATOM 0 HB3 GLN A 194 21.253 18.060 -7.810 1.00 0.00 H new ATOM 0 HG2 GLN A 194 19.570 17.528 -9.716 1.00 0.00 H new ATOM 0 HG3 GLN A 194 18.497 18.696 -8.970 1.00 0.00 H new ATOM 0 HE21 GLN A 194 19.982 18.839 -11.621 1.00 0.00 H new ATOM 0 HE22 GLN A 194 20.927 20.328 -11.521 1.00 0.00 H new ATOM 238 N ALA A 195 17.325 17.134 -6.468 1.00 0.00 N ATOM 239 CA ALA A 195 15.873 17.091 -6.638 1.00 0.00 C ATOM 240 C ALA A 195 15.174 17.958 -5.594 1.00 0.00 C ATOM 241 O ALA A 195 15.731 18.251 -4.536 1.00 0.00 O ATOM 242 CB ALA A 195 15.359 15.650 -6.543 1.00 0.00 C ATOM 0 H ALA A 195 17.641 17.543 -5.589 1.00 0.00 H new ATOM 0 HA ALA A 195 15.644 17.485 -7.628 1.00 0.00 H new ATOM 0 HB1 ALA A 195 14.277 15.640 -6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 195 15.823 15.046 -7.323 1.00 0.00 H new ATOM 0 HB3 ALA A 195 15.611 15.237 -5.566 1.00 0.00 H new ATOM 248 N ILE A 196 13.947 18.368 -5.910 1.00 0.00 N ATOM 249 CA ILE A 196 13.157 19.208 -5.010 1.00 0.00 C ATOM 250 C ILE A 196 12.271 18.326 -4.101 1.00 0.00 C ATOM 251 O ILE A 196 11.611 17.409 -4.586 1.00 0.00 O ATOM 252 CB ILE A 196 12.297 20.199 -5.857 1.00 0.00 C ATOM 253 CG1 ILE A 196 10.855 19.700 -6.077 1.00 0.00 C ATOM 254 CG2 ILE A 196 12.934 20.413 -7.239 1.00 0.00 C ATOM 255 CD1 ILE A 196 10.811 18.377 -6.866 1.00 0.00 C ATOM 0 H ILE A 196 13.477 18.132 -6.784 1.00 0.00 H new ATOM 0 HA ILE A 196 13.818 19.786 -4.365 1.00 0.00 H new ATOM 0 HB ILE A 196 12.263 21.129 -5.290 1.00 0.00 H new ATOM 0 HG12 ILE A 196 10.369 19.561 -5.111 1.00 0.00 H new ATOM 0 HG13 ILE A 196 10.287 20.460 -6.614 1.00 0.00 H new ATOM 0 HG21 ILE A 196 12.323 21.106 -7.818 1.00 0.00 H new ATOM 0 HG22 ILE A 196 13.936 20.826 -7.118 1.00 0.00 H new ATOM 0 HG23 ILE A 196 12.996 19.459 -7.763 1.00 0.00 H new ATOM 0 HD11 ILE A 196 9.775 18.065 -6.996 1.00 0.00 H new ATOM 0 HD12 ILE A 196 11.272 18.521 -7.843 1.00 0.00 H new ATOM 0 HD13 ILE A 196 11.355 17.608 -6.318 1.00 0.00 H new ATOM 267 N THR A 197 12.243 18.605 -2.789 1.00 0.00 N ATOM 268 CA THR A 197 11.411 17.818 -1.878 1.00 0.00 C ATOM 269 C THR A 197 9.934 18.079 -2.207 1.00 0.00 C ATOM 270 O THR A 197 9.625 18.990 -2.974 1.00 0.00 O ATOM 271 CB THR A 197 11.719 18.224 -0.405 1.00 0.00 C ATOM 272 OG1 THR A 197 12.649 19.295 -0.414 1.00 0.00 O ATOM 273 CG2 THR A 197 12.320 17.056 0.405 1.00 0.00 C ATOM 0 H THR A 197 12.776 19.354 -2.346 1.00 0.00 H new ATOM 0 HA THR A 197 11.626 16.756 -1.997 1.00 0.00 H new ATOM 0 HB THR A 197 10.781 18.514 0.067 1.00 0.00 H new ATOM 0 HG1 THR A 197 13.528 18.962 -0.691 1.00 0.00 H new ATOM 0 HG21 THR A 197 12.519 17.385 1.425 1.00 0.00 H new ATOM 0 HG22 THR A 197 11.615 16.225 0.422 1.00 0.00 H new ATOM 0 HG23 THR A 197 13.251 16.732 -0.060 1.00 0.00 H new ATOM 281 N PRO A 198 9.021 17.328 -1.639 1.00 0.00 N ATOM 282 CA PRO A 198 7.563 17.535 -1.892 1.00 0.00 C ATOM 283 C PRO A 198 7.160 18.991 -1.655 1.00 0.00 C ATOM 284 O PRO A 198 6.306 19.535 -2.356 1.00 0.00 O ATOM 285 CB PRO A 198 6.882 16.600 -0.879 1.00 0.00 C ATOM 286 CG PRO A 198 7.888 15.530 -0.610 1.00 0.00 C ATOM 287 CD PRO A 198 9.258 16.206 -0.711 1.00 0.00 C ATOM 0 HA PRO A 198 7.281 17.320 -2.923 1.00 0.00 H new ATOM 0 HB2 PRO A 198 6.617 17.132 0.035 1.00 0.00 H new ATOM 0 HB3 PRO A 198 5.960 16.183 -1.284 1.00 0.00 H new ATOM 0 HG2 PRO A 198 7.740 15.094 0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 198 7.798 14.719 -1.333 1.00 0.00 H new ATOM 0 HD2 PRO A 198 9.606 16.556 0.261 1.00 0.00 H new ATOM 0 HD3 PRO A 198 10.016 15.522 -1.093 1.00 0.00 H new ATOM 295 N GLU A 199 7.791 19.610 -0.664 1.00 0.00 N ATOM 296 CA GLU A 199 7.501 21.009 -0.336 1.00 0.00 C ATOM 297 C GLU A 199 8.019 21.929 -1.445 1.00 0.00 C ATOM 298 O GLU A 199 7.598 23.080 -1.556 1.00 0.00 O ATOM 299 CB GLU A 199 8.160 21.366 1.007 1.00 0.00 C ATOM 300 CG GLU A 199 7.659 22.728 1.501 1.00 0.00 C ATOM 301 CD GLU A 199 6.195 22.624 1.918 1.00 0.00 C ATOM 302 OE1 GLU A 199 5.683 21.518 1.945 1.00 0.00 O ATOM 303 OE2 GLU A 199 5.607 23.653 2.209 1.00 0.00 O ATOM 0 H GLU A 199 8.501 19.174 -0.076 1.00 0.00 H new ATOM 0 HA GLU A 199 6.423 21.145 -0.252 1.00 0.00 H new ATOM 0 HB2 GLU A 199 7.934 20.598 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 199 9.244 21.389 0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 199 8.263 23.063 2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 199 7.770 23.473 0.713 1.00 0.00 H new ATOM 310 N GLY A 200 8.933 21.414 -2.272 1.00 0.00 N ATOM 311 CA GLY A 200 9.499 22.208 -3.371 1.00 0.00 C ATOM 312 C GLY A 200 10.885 22.742 -2.996 1.00 0.00 C ATOM 313 O GLY A 200 11.513 23.449 -3.783 1.00 0.00 O ATOM 0 H GLY A 200 9.295 20.463 -2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 200 9.571 21.595 -4.269 1.00 0.00 H new ATOM 0 HA3 GLY A 200 8.835 23.040 -3.605 1.00 0.00 H new ATOM 317 N GLU A 201 11.366 22.404 -1.790 1.00 0.00 N ATOM 318 CA GLU A 201 12.682 22.871 -1.351 1.00 0.00 C ATOM 319 C GLU A 201 13.791 22.144 -2.106 1.00 0.00 C ATOM 320 O GLU A 201 13.852 20.914 -2.102 1.00 0.00 O ATOM 321 CB GLU A 201 12.845 22.609 0.152 1.00 0.00 C ATOM 322 CG GLU A 201 11.840 23.452 0.935 1.00 0.00 C ATOM 323 CD GLU A 201 12.156 24.937 0.779 1.00 0.00 C ATOM 324 OE1 GLU A 201 13.281 25.248 0.424 1.00 0.00 O ATOM 325 OE2 GLU A 201 11.269 25.739 1.018 1.00 0.00 O ATOM 0 H GLU A 201 10.872 21.820 -1.115 1.00 0.00 H new ATOM 0 HA GLU A 201 12.755 23.939 -1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 201 12.691 21.551 0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 201 13.860 22.853 0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 201 10.830 23.249 0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 201 11.868 23.176 1.989 1.00 0.00 H new ATOM 332 N ILE A 202 14.677 22.909 -2.738 1.00 0.00 N ATOM 333 CA ILE A 202 15.788 22.312 -3.472 1.00 0.00 C ATOM 334 C ILE A 202 16.756 21.697 -2.473 1.00 0.00 C ATOM 335 O ILE A 202 17.075 22.291 -1.442 1.00 0.00 O ATOM 336 CB ILE A 202 16.451 23.380 -4.412 1.00 0.00 C ATOM 337 CG1 ILE A 202 16.349 22.966 -5.928 1.00 0.00 C ATOM 338 CG2 ILE A 202 17.928 23.605 -4.038 1.00 0.00 C ATOM 339 CD1 ILE A 202 15.243 23.763 -6.644 1.00 0.00 C ATOM 0 H ILE A 202 14.649 23.928 -2.757 1.00 0.00 H new ATOM 0 HA ILE A 202 15.441 21.513 -4.127 1.00 0.00 H new ATOM 0 HB ILE A 202 15.900 24.310 -4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 202 17.305 23.140 -6.421 1.00 0.00 H new ATOM 0 HG13 ILE A 202 16.141 21.899 -6.004 1.00 0.00 H new ATOM 0 HG21 ILE A 202 18.363 24.349 -4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 202 17.993 23.958 -3.009 1.00 0.00 H new ATOM 0 HG23 ILE A 202 18.475 22.667 -4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 202 15.193 23.458 -7.689 1.00 0.00 H new ATOM 0 HD12 ILE A 202 14.284 23.568 -6.163 1.00 0.00 H new ATOM 0 HD13 ILE A 202 15.467 24.828 -6.587 1.00 0.00 H new ATOM 351 N TYR A 203 17.187 20.482 -2.782 1.00 0.00 N ATOM 352 CA TYR A 203 18.090 19.759 -1.900 1.00 0.00 C ATOM 353 C TYR A 203 18.768 18.613 -2.664 1.00 0.00 C ATOM 354 O TYR A 203 18.373 18.291 -3.784 1.00 0.00 O ATOM 355 CB TYR A 203 17.323 19.274 -0.645 1.00 0.00 C ATOM 356 CG TYR A 203 16.532 18.001 -0.907 1.00 0.00 C ATOM 357 CD1 TYR A 203 15.418 18.007 -1.762 1.00 0.00 C ATOM 358 CD2 TYR A 203 16.897 16.814 -0.258 1.00 0.00 C ATOM 359 CE1 TYR A 203 14.691 16.832 -1.979 1.00 0.00 C ATOM 360 CE2 TYR A 203 16.166 15.641 -0.470 1.00 0.00 C ATOM 361 CZ TYR A 203 15.066 15.647 -1.335 1.00 0.00 C ATOM 362 OH TYR A 203 14.346 14.489 -1.545 1.00 0.00 O ATOM 0 H TYR A 203 16.928 19.980 -3.631 1.00 0.00 H new ATOM 0 HA TYR A 203 18.884 20.421 -1.554 1.00 0.00 H new ATOM 0 HB2 TYR A 203 18.031 19.099 0.165 1.00 0.00 H new ATOM 0 HB3 TYR A 203 16.644 20.059 -0.311 1.00 0.00 H new ATOM 0 HD1 TYR A 203 15.122 18.922 -2.254 1.00 0.00 H new ATOM 0 HD2 TYR A 203 17.747 16.805 0.409 1.00 0.00 H new ATOM 0 HE1 TYR A 203 13.840 16.839 -2.644 1.00 0.00 H new ATOM 0 HE2 TYR A 203 16.451 14.729 0.034 1.00 0.00 H new ATOM 0 HH TYR A 203 14.741 13.759 -1.023 1.00 0.00 H new ATOM 372 N TYR A 204 19.824 18.036 -2.080 1.00 0.00 N ATOM 373 CA TYR A 204 20.592 16.970 -2.741 1.00 0.00 C ATOM 374 C TYR A 204 20.333 15.605 -2.071 1.00 0.00 C ATOM 375 O TYR A 204 20.117 15.540 -0.861 1.00 0.00 O ATOM 376 CB TYR A 204 22.087 17.356 -2.646 1.00 0.00 C ATOM 377 CG TYR A 204 22.493 18.249 -3.814 1.00 0.00 C ATOM 378 CD1 TYR A 204 21.808 19.451 -4.075 1.00 0.00 C ATOM 379 CD2 TYR A 204 23.580 17.880 -4.625 1.00 0.00 C ATOM 380 CE1 TYR A 204 22.210 20.270 -5.139 1.00 0.00 C ATOM 381 CE2 TYR A 204 23.973 18.702 -5.688 1.00 0.00 C ATOM 382 CZ TYR A 204 23.291 19.895 -5.945 1.00 0.00 C ATOM 383 OH TYR A 204 23.683 20.703 -6.990 1.00 0.00 O ATOM 0 H TYR A 204 20.167 18.287 -1.153 1.00 0.00 H new ATOM 0 HA TYR A 204 20.287 16.871 -3.783 1.00 0.00 H new ATOM 0 HB2 TYR A 204 22.274 17.873 -1.705 1.00 0.00 H new ATOM 0 HB3 TYR A 204 22.700 16.455 -2.642 1.00 0.00 H new ATOM 0 HD1 TYR A 204 20.973 19.742 -3.455 1.00 0.00 H new ATOM 0 HD2 TYR A 204 24.113 16.961 -4.428 1.00 0.00 H new ATOM 0 HE1 TYR A 204 21.684 21.192 -5.337 1.00 0.00 H new ATOM 0 HE2 TYR A 204 24.806 18.413 -6.312 1.00 0.00 H new ATOM 0 HH TYR A 204 24.449 20.297 -7.448 1.00 0.00 H new ATOM 393 N ILE A 205 20.328 14.513 -2.869 1.00 0.00 N ATOM 394 CA ILE A 205 20.065 13.169 -2.335 1.00 0.00 C ATOM 395 C ILE A 205 21.318 12.298 -2.359 1.00 0.00 C ATOM 396 O ILE A 205 21.951 12.136 -3.402 1.00 0.00 O ATOM 397 CB ILE A 205 18.995 12.470 -3.195 1.00 0.00 C ATOM 398 CG1 ILE A 205 17.889 13.471 -3.574 1.00 0.00 C ATOM 399 CG2 ILE A 205 18.382 11.308 -2.404 1.00 0.00 C ATOM 400 CD1 ILE A 205 16.689 12.740 -4.201 1.00 0.00 C ATOM 0 H ILE A 205 20.502 14.541 -3.874 1.00 0.00 H new ATOM 0 HA ILE A 205 19.729 13.290 -1.305 1.00 0.00 H new ATOM 0 HB ILE A 205 19.460 12.090 -4.104 1.00 0.00 H new ATOM 0 HG12 ILE A 205 17.566 14.017 -2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 205 18.281 14.206 -4.277 1.00 0.00 H new ATOM 0 HG21 ILE A 205 17.625 10.813 -3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 205 19.163 10.593 -2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 205 17.922 11.691 -1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 205 15.918 13.464 -4.462 1.00 0.00 H new ATOM 0 HD12 ILE A 205 17.012 12.214 -5.099 1.00 0.00 H new ATOM 0 HD13 ILE A 205 16.286 12.023 -3.486 1.00 0.00 H new ATOM 412 N ASN A 206 21.637 11.707 -1.206 1.00 0.00 N ATOM 413 CA ASN A 206 22.792 10.806 -1.096 1.00 0.00 C ATOM 414 C ASN A 206 22.312 9.356 -1.164 1.00 0.00 C ATOM 415 O ASN A 206 21.702 8.858 -0.219 1.00 0.00 O ATOM 416 CB ASN A 206 23.542 11.022 0.230 1.00 0.00 C ATOM 417 CG ASN A 206 24.852 10.242 0.210 1.00 0.00 C ATOM 418 OD1 ASN A 206 25.480 10.110 -0.841 1.00 0.00 O ATOM 419 ND2 ASN A 206 25.307 9.716 1.314 1.00 0.00 N ATOM 0 H ASN A 206 21.117 11.833 -0.338 1.00 0.00 H new ATOM 0 HA ASN A 206 23.472 11.022 -1.920 1.00 0.00 H new ATOM 0 HB2 ASN A 206 23.741 12.083 0.378 1.00 0.00 H new ATOM 0 HB3 ASN A 206 22.925 10.694 1.066 1.00 0.00 H new ATOM 0 HD21 ASN A 206 26.184 9.195 1.307 1.00 0.00 H new ATOM 0 HD22 ASN A 206 24.786 9.826 2.184 1.00 0.00 H new ATOM 426 N HIS A 207 22.575 8.679 -2.283 1.00 0.00 N ATOM 427 CA HIS A 207 22.142 7.291 -2.435 1.00 0.00 C ATOM 428 C HIS A 207 23.116 6.351 -1.737 1.00 0.00 C ATOM 429 O HIS A 207 22.921 5.135 -1.724 1.00 0.00 O ATOM 430 CB HIS A 207 22.052 6.926 -3.915 1.00 0.00 C ATOM 431 CG HIS A 207 21.162 7.913 -4.620 1.00 0.00 C ATOM 432 ND1 HIS A 207 21.176 8.072 -5.997 1.00 0.00 N ATOM 433 CD2 HIS A 207 20.226 8.801 -4.150 1.00 0.00 C ATOM 434 CE1 HIS A 207 20.275 9.023 -6.305 1.00 0.00 C ATOM 435 NE2 HIS A 207 19.667 9.501 -5.216 1.00 0.00 N ATOM 0 H HIS A 207 23.077 9.062 -3.084 1.00 0.00 H new ATOM 0 HA HIS A 207 21.158 7.186 -1.978 1.00 0.00 H new ATOM 0 HB2 HIS A 207 23.046 6.931 -4.363 1.00 0.00 H new ATOM 0 HB3 HIS A 207 21.656 5.917 -4.029 1.00 0.00 H new ATOM 0 HD2 HIS A 207 19.963 8.936 -3.111 1.00 0.00 H new ATOM 0 HE1 HIS A 207 20.069 9.359 -7.310 1.00 0.00 H new ATOM 0 HE2 HIS A 207 18.948 10.223 -5.174 1.00 0.00 H new ATOM 443 N LYS A 208 24.162 6.924 -1.152 1.00 0.00 N ATOM 444 CA LYS A 208 25.163 6.130 -0.446 1.00 0.00 C ATOM 445 C LYS A 208 24.674 5.788 0.958 1.00 0.00 C ATOM 446 O LYS A 208 25.228 4.912 1.623 1.00 0.00 O ATOM 447 CB LYS A 208 26.486 6.899 -0.354 1.00 0.00 C ATOM 448 CG LYS A 208 27.149 6.974 -1.735 1.00 0.00 C ATOM 449 CD LYS A 208 28.461 7.751 -1.628 1.00 0.00 C ATOM 450 CE LYS A 208 29.137 7.801 -3.000 1.00 0.00 C ATOM 451 NZ LYS A 208 28.268 8.547 -3.953 1.00 0.00 N ATOM 0 H LYS A 208 24.339 7.929 -1.152 1.00 0.00 H new ATOM 0 HA LYS A 208 25.324 5.207 -1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 208 26.306 7.904 0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 208 27.154 6.406 0.352 1.00 0.00 H new ATOM 0 HG2 LYS A 208 27.338 5.970 -2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 208 26.481 7.462 -2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 208 28.269 8.762 -1.268 1.00 0.00 H new ATOM 0 HD3 LYS A 208 29.120 7.274 -0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 208 30.110 8.287 -2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 208 29.314 6.790 -3.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 28.024 7.932 -4.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 27.397 8.845 -3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 28.775 9.386 -4.301 1.00 0.00 H new ATOM 465 N ASN A 209 23.627 6.482 1.401 1.00 0.00 N ATOM 466 CA ASN A 209 23.060 6.240 2.729 1.00 0.00 C ATOM 467 C ASN A 209 21.576 6.592 2.750 1.00 0.00 C ATOM 468 O ASN A 209 20.973 6.711 3.817 1.00 0.00 O ATOM 469 CB ASN A 209 23.796 7.077 3.784 1.00 0.00 C ATOM 470 CG ASN A 209 25.256 6.632 3.887 1.00 0.00 C ATOM 471 OD1 ASN A 209 26.097 6.905 2.920 1.00 0.00 O flip ATOM 472 ND2 ASN A 209 25.642 6.009 4.876 1.00 0.00 N flip ATOM 0 H ASN A 209 23.156 7.211 0.865 1.00 0.00 H new ATOM 0 HA ASN A 209 23.179 5.182 2.960 1.00 0.00 H new ATOM 0 HB2 ASN A 209 23.748 8.133 3.519 1.00 0.00 H new ATOM 0 HB3 ASN A 209 23.306 6.968 4.752 1.00 0.00 H new ATOM 0 HD21 ASN A 209 24.990 5.795 5.630 1.00 0.00 H new ATOM 0 HD22 ASN A 209 26.614 5.707 4.941 1.00 0.00 H new ATOM 479 N LYS A 210 20.991 6.760 1.566 1.00 0.00 N ATOM 480 CA LYS A 210 19.581 7.100 1.457 1.00 0.00 C ATOM 481 C LYS A 210 19.196 8.143 2.504 1.00 0.00 C ATOM 482 O LYS A 210 18.399 7.868 3.402 1.00 0.00 O ATOM 483 CB LYS A 210 18.727 5.844 1.641 1.00 0.00 C ATOM 484 CG LYS A 210 17.283 6.128 1.218 1.00 0.00 C ATOM 485 CD LYS A 210 17.148 6.119 -0.316 1.00 0.00 C ATOM 486 CE LYS A 210 15.669 6.029 -0.703 1.00 0.00 C ATOM 487 NZ LYS A 210 14.981 7.298 -0.333 1.00 0.00 N ATOM 0 H LYS A 210 21.474 6.666 0.672 1.00 0.00 H new ATOM 0 HA LYS A 210 19.402 7.518 0.466 1.00 0.00 H new ATOM 0 HB2 LYS A 210 19.135 5.026 1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 210 18.754 5.525 2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 210 16.619 5.379 1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 210 16.969 7.096 1.609 1.00 0.00 H new ATOM 0 HD2 LYS A 210 17.589 7.023 -0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 210 17.695 5.274 -0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 210 15.572 5.849 -1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 210 15.200 5.187 -0.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 14.014 7.293 -0.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 14.944 7.383 0.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 15.505 8.105 -0.728 1.00 0.00 H new ATOM 501 N THR A 211 19.773 9.338 2.386 1.00 0.00 N ATOM 502 CA THR A 211 19.496 10.421 3.328 1.00 0.00 C ATOM 503 C THR A 211 19.399 11.752 2.596 1.00 0.00 C ATOM 504 O THR A 211 19.625 11.828 1.388 1.00 0.00 O ATOM 505 CB THR A 211 20.606 10.497 4.379 1.00 0.00 C ATOM 506 OG1 THR A 211 20.402 11.642 5.195 1.00 0.00 O ATOM 507 CG2 THR A 211 21.965 10.597 3.685 1.00 0.00 C ATOM 0 H THR A 211 20.434 9.580 1.648 1.00 0.00 H new ATOM 0 HA THR A 211 18.544 10.216 3.818 1.00 0.00 H new ATOM 0 HB THR A 211 20.584 9.600 4.997 1.00 0.00 H new ATOM 0 HG1 THR A 211 21.110 11.693 5.870 1.00 0.00 H new ATOM 0 HG21 THR A 211 22.754 10.651 4.435 1.00 0.00 H new ATOM 0 HG22 THR A 211 22.119 9.718 3.059 1.00 0.00 H new ATOM 0 HG23 THR A 211 21.992 11.493 3.065 1.00 0.00 H new ATOM 515 N THR A 212 19.062 12.805 3.338 1.00 0.00 N ATOM 516 CA THR A 212 18.931 14.145 2.759 1.00 0.00 C ATOM 517 C THR A 212 20.131 15.005 3.165 1.00 0.00 C ATOM 518 O THR A 212 20.552 14.971 4.321 1.00 0.00 O ATOM 519 CB THR A 212 17.645 14.792 3.283 1.00 0.00 C ATOM 520 OG1 THR A 212 17.752 14.975 4.687 1.00 0.00 O ATOM 521 CG2 THR A 212 16.449 13.885 2.977 1.00 0.00 C ATOM 0 H THR A 212 18.875 12.759 4.340 1.00 0.00 H new ATOM 0 HA THR A 212 18.894 14.069 1.672 1.00 0.00 H new ATOM 0 HB THR A 212 17.499 15.756 2.796 1.00 0.00 H new ATOM 0 HG1 THR A 212 18.697 14.973 4.946 1.00 0.00 H new ATOM 0 HG21 THR A 212 15.536 14.348 3.351 1.00 0.00 H new ATOM 0 HG22 THR A 212 16.368 13.741 1.900 1.00 0.00 H new ATOM 0 HG23 THR A 212 16.591 12.919 3.462 1.00 0.00 H new ATOM 529 N SER A 213 20.696 15.768 2.218 1.00 0.00 N ATOM 530 CA SER A 213 21.859 16.613 2.528 1.00 0.00 C ATOM 531 C SER A 213 21.766 17.962 1.795 1.00 0.00 C ATOM 532 O SER A 213 21.638 17.992 0.571 1.00 0.00 O ATOM 533 CB SER A 213 23.141 15.890 2.091 1.00 0.00 C ATOM 534 OG SER A 213 23.374 16.144 0.711 1.00 0.00 O ATOM 0 H SER A 213 20.375 15.818 1.251 1.00 0.00 H new ATOM 0 HA SER A 213 21.877 16.799 3.602 1.00 0.00 H new ATOM 0 HB2 SER A 213 23.988 16.235 2.685 1.00 0.00 H new ATOM 0 HB3 SER A 213 23.046 14.818 2.265 1.00 0.00 H new ATOM 0 HG SER A 213 22.577 16.553 0.314 1.00 0.00 H new ATOM 540 N TRP A 214 21.835 19.079 2.540 1.00 0.00 N ATOM 541 CA TRP A 214 21.763 20.408 1.917 1.00 0.00 C ATOM 542 C TRP A 214 23.159 20.872 1.497 1.00 0.00 C ATOM 543 O TRP A 214 23.306 21.888 0.816 1.00 0.00 O ATOM 544 CB TRP A 214 21.138 21.434 2.883 1.00 0.00 C ATOM 545 CG TRP A 214 20.055 20.762 3.689 1.00 0.00 C ATOM 546 CD1 TRP A 214 20.277 19.985 4.782 1.00 0.00 C ATOM 547 CD2 TRP A 214 18.595 20.774 3.493 1.00 0.00 C ATOM 548 NE1 TRP A 214 19.066 19.536 5.271 1.00 0.00 N ATOM 549 CE2 TRP A 214 18.005 19.989 4.518 1.00 0.00 C ATOM 550 CE3 TRP A 214 17.726 21.378 2.550 1.00 0.00 C ATOM 551 CZ2 TRP A 214 16.623 19.811 4.604 1.00 0.00 C ATOM 552 CZ3 TRP A 214 16.336 21.195 2.641 1.00 0.00 C ATOM 553 CH2 TRP A 214 15.786 20.414 3.665 1.00 0.00 C ATOM 0 H TRP A 214 21.939 19.088 3.555 1.00 0.00 H new ATOM 0 HA TRP A 214 21.130 20.335 1.033 1.00 0.00 H new ATOM 0 HB2 TRP A 214 21.902 21.840 3.546 1.00 0.00 H new ATOM 0 HB3 TRP A 214 20.724 22.273 2.323 1.00 0.00 H new ATOM 0 HD1 TRP A 214 21.246 19.755 5.201 1.00 0.00 H new ATOM 0 HE1 TRP A 214 18.969 18.939 6.093 1.00 0.00 H new ATOM 0 HE3 TRP A 214 18.136 21.984 1.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 214 16.203 19.208 5.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 214 15.686 21.661 1.915 1.00 0.00 H new ATOM 0 HH2 TRP A 214 14.716 20.279 3.728 1.00 0.00 H new ATOM 564 N LEU A 215 24.179 20.119 1.906 1.00 0.00 N ATOM 565 CA LEU A 215 25.562 20.469 1.559 1.00 0.00 C ATOM 566 C LEU A 215 25.847 20.121 0.095 1.00 0.00 C ATOM 567 O LEU A 215 25.582 19.006 -0.339 1.00 0.00 O ATOM 568 CB LEU A 215 26.577 19.770 2.510 1.00 0.00 C ATOM 569 CG LEU A 215 26.876 18.289 2.106 1.00 0.00 C ATOM 570 CD1 LEU A 215 28.098 18.192 1.162 1.00 0.00 C ATOM 571 CD2 LEU A 215 27.195 17.460 3.370 1.00 0.00 C ATOM 0 H LEU A 215 24.081 19.275 2.470 1.00 0.00 H new ATOM 0 HA LEU A 215 25.684 21.545 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 215 27.509 20.334 2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 215 26.186 19.791 3.527 1.00 0.00 H new ATOM 0 HG LEU A 215 25.992 17.907 1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 215 28.275 17.148 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 215 27.903 18.763 0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 215 28.978 18.596 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 215 27.403 16.428 3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 215 28.067 17.881 3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 215 26.341 17.485 4.047 1.00 0.00 H new ATOM 583 N ASP A 216 26.370 21.090 -0.668 1.00 0.00 N ATOM 584 CA ASP A 216 26.666 20.868 -2.086 1.00 0.00 C ATOM 585 C ASP A 216 27.857 19.905 -2.266 1.00 0.00 C ATOM 586 O ASP A 216 28.986 20.268 -1.934 1.00 0.00 O ATOM 587 CB ASP A 216 27.003 22.210 -2.749 1.00 0.00 C ATOM 588 CG ASP A 216 26.076 23.298 -2.217 1.00 0.00 C ATOM 589 OD1 ASP A 216 24.911 23.286 -2.582 1.00 0.00 O ATOM 590 OD2 ASP A 216 26.543 24.126 -1.452 1.00 0.00 O ATOM 0 H ASP A 216 26.594 22.026 -0.330 1.00 0.00 H new ATOM 0 HA ASP A 216 25.788 20.421 -2.552 1.00 0.00 H new ATOM 0 HB2 ASP A 216 28.041 22.474 -2.548 1.00 0.00 H new ATOM 0 HB3 ASP A 216 26.898 22.128 -3.831 1.00 0.00 H new ATOM 595 N PRO A 217 27.656 18.702 -2.783 1.00 0.00 N ATOM 596 CA PRO A 217 28.761 17.727 -2.992 1.00 0.00 C ATOM 597 C PRO A 217 29.389 17.860 -4.381 1.00 0.00 C ATOM 598 O PRO A 217 30.237 17.056 -4.766 1.00 0.00 O ATOM 599 CB PRO A 217 28.042 16.390 -2.856 1.00 0.00 C ATOM 600 CG PRO A 217 26.705 16.634 -3.485 1.00 0.00 C ATOM 601 CD PRO A 217 26.371 18.119 -3.236 1.00 0.00 C ATOM 0 HA PRO A 217 29.587 17.866 -2.295 1.00 0.00 H new ATOM 0 HB2 PRO A 217 28.583 15.592 -3.365 1.00 0.00 H new ATOM 0 HB3 PRO A 217 27.944 16.094 -1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 217 26.732 16.416 -4.553 1.00 0.00 H new ATOM 0 HG3 PRO A 217 25.946 15.986 -3.047 1.00 0.00 H new ATOM 0 HD2 PRO A 217 26.009 18.605 -4.142 1.00 0.00 H new ATOM 0 HD3 PRO A 217 25.593 18.232 -2.481 1.00 0.00 H new ATOM 609 N ARG A 218 28.942 18.859 -5.133 1.00 0.00 N ATOM 610 CA ARG A 218 29.442 19.064 -6.488 1.00 0.00 C ATOM 611 C ARG A 218 30.964 19.188 -6.503 1.00 0.00 C ATOM 612 O ARG A 218 31.613 18.716 -7.435 1.00 0.00 O ATOM 613 CB ARG A 218 28.821 20.327 -7.109 1.00 0.00 C ATOM 614 CG ARG A 218 29.160 20.405 -8.618 1.00 0.00 C ATOM 615 CD ARG A 218 29.255 21.868 -9.057 1.00 0.00 C ATOM 616 NE ARG A 218 27.982 22.546 -8.835 1.00 0.00 N ATOM 617 CZ ARG A 218 26.983 22.434 -9.704 1.00 0.00 C ATOM 618 NH1 ARG A 218 27.129 21.705 -10.777 1.00 0.00 N ATOM 619 NH2 ARG A 218 25.856 23.057 -9.488 1.00 0.00 N ATOM 0 H ARG A 218 28.240 19.535 -4.831 1.00 0.00 H new ATOM 0 HA ARG A 218 29.156 18.193 -7.077 1.00 0.00 H new ATOM 0 HB2 ARG A 218 27.740 20.314 -6.972 1.00 0.00 H new ATOM 0 HB3 ARG A 218 29.196 21.214 -6.598 1.00 0.00 H new ATOM 0 HG2 ARG A 218 30.103 19.896 -8.814 1.00 0.00 H new ATOM 0 HG3 ARG A 218 28.394 19.891 -9.199 1.00 0.00 H new ATOM 0 HD2 ARG A 218 30.045 22.372 -8.500 1.00 0.00 H new ATOM 0 HD3 ARG A 218 29.525 21.922 -10.112 1.00 0.00 H new ATOM 0 HE ARG A 218 27.857 23.116 -7.998 1.00 0.00 H new ATOM 0 HH11 ARG A 218 28.010 21.221 -10.949 1.00 0.00 H new ATOM 0 HH12 ARG A 218 26.362 21.619 -11.444 1.00 0.00 H new ATOM 0 HH21 ARG A 218 25.742 23.630 -8.652 1.00 0.00 H new ATOM 0 HH22 ARG A 218 25.090 22.971 -10.155 1.00 0.00 H new ATOM 633 N LEU A 219 31.537 19.828 -5.476 1.00 0.00 N ATOM 634 CA LEU A 219 32.996 20.003 -5.407 1.00 0.00 C ATOM 635 C LEU A 219 33.530 19.440 -4.091 1.00 0.00 C ATOM 636 O LEU A 219 33.866 20.194 -3.178 1.00 0.00 O ATOM 637 CB LEU A 219 33.361 21.499 -5.516 1.00 0.00 C ATOM 638 CG LEU A 219 34.890 21.698 -5.555 1.00 0.00 C ATOM 639 CD1 LEU A 219 35.479 21.189 -6.886 1.00 0.00 C ATOM 640 CD2 LEU A 219 35.190 23.194 -5.403 1.00 0.00 C ATOM 0 H LEU A 219 31.023 20.229 -4.691 1.00 0.00 H new ATOM 0 HA LEU A 219 33.450 19.464 -6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 219 32.914 21.921 -6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 219 32.942 22.041 -4.668 1.00 0.00 H new ATOM 0 HG LEU A 219 35.345 21.130 -4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 219 36.558 21.341 -6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 219 35.262 20.127 -6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 219 35.034 21.739 -7.715 1.00 0.00 H new ATOM 0 HD21 LEU A 219 36.268 23.353 -5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 219 34.723 23.744 -6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 219 34.793 23.550 -4.452 1.00 0.00 H new ATOM 652 N GLU A 220 33.613 18.115 -4.000 1.00 0.00 N ATOM 653 CA GLU A 220 34.115 17.476 -2.788 1.00 0.00 C ATOM 654 C GLU A 220 35.638 17.572 -2.741 1.00 0.00 C ATOM 655 O GLU A 220 36.336 16.594 -3.008 1.00 0.00 O ATOM 656 CB GLU A 220 33.681 16.004 -2.765 1.00 0.00 C ATOM 657 CG GLU A 220 34.097 15.342 -1.445 1.00 0.00 C ATOM 658 CD GLU A 220 33.271 15.903 -0.292 1.00 0.00 C ATOM 659 OE1 GLU A 220 32.342 16.647 -0.562 1.00 0.00 O ATOM 660 OE2 GLU A 220 33.575 15.578 0.843 1.00 0.00 O ATOM 0 H GLU A 220 33.342 17.470 -4.742 1.00 0.00 H new ATOM 0 HA GLU A 220 33.703 17.985 -1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 220 32.600 15.935 -2.888 1.00 0.00 H new ATOM 0 HB3 GLU A 220 34.132 15.473 -3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 220 33.957 14.263 -1.511 1.00 0.00 H new ATOM 0 HG3 GLU A 220 35.157 15.516 -1.261 1.00 0.00 H new ATOM 667 N THR A 221 36.142 18.765 -2.415 1.00 0.00 N ATOM 668 CA THR A 221 37.589 19.000 -2.348 1.00 0.00 C ATOM 669 C THR A 221 38.337 17.756 -1.826 1.00 0.00 C ATOM 670 O THR A 221 38.014 17.241 -0.757 1.00 0.00 O ATOM 671 CB THR A 221 37.879 20.232 -1.449 1.00 0.00 C ATOM 672 OG1 THR A 221 39.037 20.893 -1.935 1.00 0.00 O ATOM 673 CG2 THR A 221 38.105 19.843 0.033 1.00 0.00 C ATOM 0 H THR A 221 35.573 19.582 -2.194 1.00 0.00 H new ATOM 0 HA THR A 221 37.952 19.200 -3.356 1.00 0.00 H new ATOM 0 HB THR A 221 37.006 20.884 -1.489 1.00 0.00 H new ATOM 0 HG1 THR A 221 39.227 21.674 -1.374 1.00 0.00 H new ATOM 0 HG21 THR A 221 38.304 20.741 0.619 1.00 0.00 H new ATOM 0 HG22 THR A 221 37.214 19.348 0.419 1.00 0.00 H new ATOM 0 HG23 THR A 221 38.956 19.166 0.106 1.00 0.00 H new ATOM 681 N ARG A 222 39.332 17.272 -2.582 1.00 0.00 N ATOM 682 CA ARG A 222 40.088 16.096 -2.160 1.00 0.00 C ATOM 683 C ARG A 222 41.262 15.852 -3.104 1.00 0.00 C ATOM 684 O ARG A 222 42.334 15.533 -2.614 1.00 0.00 O ATOM 685 CB ARG A 222 39.183 14.859 -2.137 1.00 0.00 C ATOM 686 CG ARG A 222 39.970 13.662 -1.597 1.00 0.00 C ATOM 687 CD ARG A 222 39.044 12.452 -1.473 1.00 0.00 C ATOM 688 NE ARG A 222 38.570 12.039 -2.790 1.00 0.00 N ATOM 689 CZ ARG A 222 39.288 11.226 -3.560 1.00 0.00 C ATOM 690 NH1 ARG A 222 40.446 10.788 -3.145 1.00 0.00 N ATOM 691 NH2 ARG A 222 38.836 10.866 -4.729 1.00 0.00 N ATOM 692 OXT ARG A 222 41.071 15.985 -4.300 1.00 0.00 O ATOM 0 H ARG A 222 39.625 17.672 -3.473 1.00 0.00 H new ATOM 0 HA ARG A 222 40.469 16.278 -1.155 1.00 0.00 H new ATOM 0 HB2 ARG A 222 38.310 15.046 -1.512 1.00 0.00 H new ATOM 0 HB3 ARG A 222 38.817 14.644 -3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 222 40.801 13.430 -2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 222 40.399 13.905 -0.625 1.00 0.00 H new ATOM 0 HD2 ARG A 222 39.574 11.628 -0.995 1.00 0.00 H new ATOM 0 HD3 ARG A 222 38.196 12.699 -0.835 1.00 0.00 H new ATOM 0 HE ARG A 222 37.670 12.381 -3.127 1.00 0.00 H new ATOM 0 HH11 ARG A 222 40.800 11.069 -2.231 1.00 0.00 H new ATOM 0 HH12 ARG A 222 40.997 10.165 -3.735 1.00 0.00 H new ATOM 0 HH21 ARG A 222 37.931 11.208 -5.053 1.00 0.00 H new ATOM 0 HH22 ARG A 222 39.387 10.243 -5.319 1.00 0.00 H new TER 706 ARG A 222