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 209 ASN : amide:sc= -6.91! K(o=-7.1!,f=0.99) USER MOD Set 1.2: A 211 THR OG1 : rot 180:sc= -0.198 USER MOD Set 2.1: A 207 HIS : no HE2:sc= -0.361 K(o=-0.36,f=-1.4) USER MOD Set 2.2: A 210 LYS NZ :NH3+ -131:sc= 0 (180deg=0) USER MOD Set 3.1: A 206 ASN : amide:sc= -6.64! C(o=-6.8!,f=-13!) USER MOD Set 3.2: A 213 SER OG : rot -116:sc= -0.193 USER MOD Set 4.1: A 178 SER OG : rot -64:sc= 1.1 USER MOD Set 4.2: A 180 ASN : amide:sc= -0.427 X(o=0.67,f=0.94) USER MOD Single : A 181 SER OG : rot 180:sc= 0 USER MOD Single : A 182 SER OG : rot 55:sc= 0.0207 USER MOD Single : A 185 SER OG : rot 180:sc= 0 USER MOD Single : A 194 GLN : amide:sc= -0.006 K(o=-0.006,f=-0.75) USER MOD Single : A 197 THR OG1 : rot -72:sc= -0.867 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 208 LYS NZ :NH3+ -115:sc= -5.24! (180deg=-7.97!) USER MOD Single : A 212 THR OG1 : rot 18:sc= 0.248! USER MOD Single : A 221 THR OG1 : rot -52:sc= 0.816 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 177 22.326 31.705 -21.233 1.00 0.00 N ATOM 2 CA GLY A 177 22.742 32.446 -22.459 1.00 0.00 C ATOM 3 C GLY A 177 24.075 31.904 -22.961 1.00 0.00 C ATOM 4 O GLY A 177 24.726 32.518 -23.808 1.00 0.00 O ATOM 0 HA2 GLY A 177 21.982 32.342 -23.233 1.00 0.00 H new ATOM 0 HA3 GLY A 177 22.831 33.510 -22.240 1.00 0.00 H new ATOM 10 N SER A 178 24.477 30.749 -22.441 1.00 0.00 N ATOM 11 CA SER A 178 25.734 30.136 -22.849 1.00 0.00 C ATOM 12 C SER A 178 26.879 31.139 -22.755 1.00 0.00 C ATOM 13 O SER A 178 27.623 31.336 -23.717 1.00 0.00 O ATOM 14 CB SER A 178 25.619 29.622 -24.284 1.00 0.00 C ATOM 15 OG SER A 178 26.875 29.106 -24.701 1.00 0.00 O ATOM 0 H SER A 178 23.954 30.222 -21.741 1.00 0.00 H new ATOM 0 HA SER A 178 25.944 29.303 -22.179 1.00 0.00 H new ATOM 0 HB2 SER A 178 24.856 28.846 -24.344 1.00 0.00 H new ATOM 0 HB3 SER A 178 25.306 30.428 -24.947 1.00 0.00 H new ATOM 0 HG SER A 178 27.535 29.830 -24.723 1.00 0.00 H new ATOM 21 N PRO A 179 27.031 31.768 -21.619 1.00 0.00 N ATOM 22 CA PRO A 179 28.113 32.773 -21.386 1.00 0.00 C ATOM 23 C PRO A 179 29.502 32.134 -21.420 1.00 0.00 C ATOM 24 O PRO A 179 30.508 32.824 -21.591 1.00 0.00 O ATOM 25 CB PRO A 179 27.787 33.341 -19.991 1.00 0.00 C ATOM 26 CG PRO A 179 26.987 32.271 -19.318 1.00 0.00 C ATOM 27 CD PRO A 179 26.188 31.588 -20.425 1.00 0.00 C ATOM 0 HA PRO A 179 28.142 33.540 -22.159 1.00 0.00 H new ATOM 0 HB2 PRO A 179 28.696 33.565 -19.433 1.00 0.00 H new ATOM 0 HB3 PRO A 179 27.222 34.270 -20.065 1.00 0.00 H new ATOM 0 HG2 PRO A 179 27.637 31.559 -18.809 1.00 0.00 H new ATOM 0 HG3 PRO A 179 26.325 32.695 -18.563 1.00 0.00 H new ATOM 0 HD2 PRO A 179 26.021 30.533 -20.207 1.00 0.00 H new ATOM 0 HD3 PRO A 179 25.207 32.046 -20.553 1.00 0.00 H new ATOM 35 N ASN A 180 29.547 30.816 -21.253 1.00 0.00 N ATOM 36 CA ASN A 180 30.815 30.097 -21.269 1.00 0.00 C ATOM 37 C ASN A 180 31.768 30.654 -20.214 1.00 0.00 C ATOM 38 O ASN A 180 32.979 30.709 -20.426 1.00 0.00 O ATOM 39 CB ASN A 180 31.460 30.208 -22.651 1.00 0.00 C ATOM 40 CG ASN A 180 30.472 29.764 -23.722 1.00 0.00 C ATOM 41 OD1 ASN A 180 30.460 30.316 -24.824 1.00 0.00 O ATOM 42 ND2 ASN A 180 29.634 28.797 -23.466 1.00 0.00 N ATOM 0 H ASN A 180 28.726 30.228 -21.106 1.00 0.00 H new ATOM 0 HA ASN A 180 30.617 29.050 -21.042 1.00 0.00 H new ATOM 0 HB2 ASN A 180 31.771 31.236 -22.835 1.00 0.00 H new ATOM 0 HB3 ASN A 180 32.357 29.591 -22.694 1.00 0.00 H new ATOM 0 HD21 ASN A 180 28.968 28.497 -24.178 1.00 0.00 H new ATOM 0 HD22 ASN A 180 29.645 28.341 -22.554 1.00 0.00 H new ATOM 49 N SER A 181 31.213 31.065 -19.079 1.00 0.00 N ATOM 50 CA SER A 181 32.036 31.618 -17.999 1.00 0.00 C ATOM 51 C SER A 181 33.070 30.595 -17.540 1.00 0.00 C ATOM 52 O SER A 181 34.225 30.936 -17.294 1.00 0.00 O ATOM 53 CB SER A 181 31.159 32.020 -16.811 1.00 0.00 C ATOM 54 OG SER A 181 30.103 32.854 -17.272 1.00 0.00 O ATOM 0 H SER A 181 30.213 31.029 -18.880 1.00 0.00 H new ATOM 0 HA SER A 181 32.549 32.500 -18.382 1.00 0.00 H new ATOM 0 HB2 SER A 181 30.753 31.132 -16.326 1.00 0.00 H new ATOM 0 HB3 SER A 181 31.755 32.546 -16.065 1.00 0.00 H new ATOM 0 HG SER A 181 29.537 33.113 -16.515 1.00 0.00 H new ATOM 60 N SER A 182 32.645 29.341 -17.426 1.00 0.00 N ATOM 61 CA SER A 182 33.545 28.275 -16.998 1.00 0.00 C ATOM 62 C SER A 182 32.816 26.933 -16.964 1.00 0.00 C ATOM 63 O SER A 182 32.583 26.373 -15.892 1.00 0.00 O ATOM 64 CB SER A 182 34.097 28.591 -15.604 1.00 0.00 C ATOM 65 OG SER A 182 33.036 29.052 -14.777 1.00 0.00 O ATOM 0 H SER A 182 31.691 29.039 -17.622 1.00 0.00 H new ATOM 0 HA SER A 182 34.366 28.210 -17.712 1.00 0.00 H new ATOM 0 HB2 SER A 182 34.553 27.701 -15.170 1.00 0.00 H new ATOM 0 HB3 SER A 182 34.878 29.349 -15.672 1.00 0.00 H new ATOM 0 HG SER A 182 32.313 28.391 -14.774 1.00 0.00 H new ATOM 71 N PRO A 183 32.456 26.411 -18.108 1.00 0.00 N ATOM 72 CA PRO A 183 31.743 25.099 -18.205 1.00 0.00 C ATOM 73 C PRO A 183 32.513 23.979 -17.494 1.00 0.00 C ATOM 74 O PRO A 183 33.691 23.758 -17.775 1.00 0.00 O ATOM 75 CB PRO A 183 31.669 24.846 -19.728 1.00 0.00 C ATOM 76 CG PRO A 183 31.774 26.200 -20.351 1.00 0.00 C ATOM 77 CD PRO A 183 32.683 27.013 -19.433 1.00 0.00 C ATOM 0 HA PRO A 183 30.765 25.117 -17.725 1.00 0.00 H new ATOM 0 HB2 PRO A 183 32.478 24.195 -20.060 1.00 0.00 H new ATOM 0 HB3 PRO A 183 30.734 24.357 -20.002 1.00 0.00 H new ATOM 0 HG2 PRO A 183 32.190 26.136 -21.356 1.00 0.00 H new ATOM 0 HG3 PRO A 183 30.793 26.666 -20.441 1.00 0.00 H new ATOM 0 HD2 PRO A 183 33.728 26.939 -19.734 1.00 0.00 H new ATOM 0 HD3 PRO A 183 32.422 28.071 -19.444 1.00 0.00 H new ATOM 85 N ALA A 184 31.844 23.264 -16.584 1.00 0.00 N ATOM 86 CA ALA A 184 32.510 22.160 -15.867 1.00 0.00 C ATOM 87 C ALA A 184 31.510 21.391 -15.009 1.00 0.00 C ATOM 88 O ALA A 184 31.893 20.699 -14.068 1.00 0.00 O ATOM 89 CB ALA A 184 33.655 22.685 -14.980 1.00 0.00 C ATOM 0 H ALA A 184 30.869 23.419 -16.328 1.00 0.00 H new ATOM 0 HA ALA A 184 32.928 21.488 -16.616 1.00 0.00 H new ATOM 0 HB1 ALA A 184 34.128 21.849 -14.464 1.00 0.00 H new ATOM 0 HB2 ALA A 184 34.393 23.192 -15.601 1.00 0.00 H new ATOM 0 HB3 ALA A 184 33.255 23.385 -14.247 1.00 0.00 H new ATOM 95 N SER A 185 30.226 21.511 -15.346 1.00 0.00 N ATOM 96 CA SER A 185 29.169 20.815 -14.607 1.00 0.00 C ATOM 97 C SER A 185 28.134 20.255 -15.576 1.00 0.00 C ATOM 98 O SER A 185 27.823 20.877 -16.591 1.00 0.00 O ATOM 99 CB SER A 185 28.490 21.769 -13.626 1.00 0.00 C ATOM 100 OG SER A 185 27.521 21.050 -12.874 1.00 0.00 O ATOM 0 H SER A 185 29.892 22.081 -16.123 1.00 0.00 H new ATOM 0 HA SER A 185 29.620 19.994 -14.049 1.00 0.00 H new ATOM 0 HB2 SER A 185 29.230 22.213 -12.960 1.00 0.00 H new ATOM 0 HB3 SER A 185 28.015 22.588 -14.166 1.00 0.00 H new ATOM 0 HG SER A 185 27.082 21.656 -12.241 1.00 0.00 H new ATOM 106 N GLY A 186 27.608 19.074 -15.262 1.00 0.00 N ATOM 107 CA GLY A 186 26.614 18.444 -16.127 1.00 0.00 C ATOM 108 C GLY A 186 26.244 17.045 -15.637 1.00 0.00 C ATOM 109 O GLY A 186 25.107 16.801 -15.233 1.00 0.00 O ATOM 0 H GLY A 186 27.849 18.540 -14.427 1.00 0.00 H new ATOM 0 HA2 GLY A 186 25.719 19.065 -16.165 1.00 0.00 H new ATOM 0 HA3 GLY A 186 27.003 18.383 -17.143 1.00 0.00 H new ATOM 113 N PRO A 187 27.169 16.120 -15.686 1.00 0.00 N ATOM 114 CA PRO A 187 26.919 14.707 -15.260 1.00 0.00 C ATOM 115 C PRO A 187 26.597 14.579 -13.767 1.00 0.00 C ATOM 116 O PRO A 187 27.163 15.282 -12.928 1.00 0.00 O ATOM 117 CB PRO A 187 28.229 13.980 -15.622 1.00 0.00 C ATOM 118 CG PRO A 187 29.270 15.054 -15.665 1.00 0.00 C ATOM 119 CD PRO A 187 28.552 16.315 -16.150 1.00 0.00 C ATOM 0 HA PRO A 187 26.043 14.285 -15.753 1.00 0.00 H new ATOM 0 HB2 PRO A 187 28.476 13.220 -14.881 1.00 0.00 H new ATOM 0 HB3 PRO A 187 28.146 13.472 -16.583 1.00 0.00 H new ATOM 0 HG2 PRO A 187 29.711 15.210 -14.681 1.00 0.00 H new ATOM 0 HG3 PRO A 187 30.083 14.784 -16.339 1.00 0.00 H new ATOM 0 HD2 PRO A 187 28.994 17.217 -15.727 1.00 0.00 H new ATOM 0 HD3 PRO A 187 28.602 16.414 -17.234 1.00 0.00 H new ATOM 127 N LEU A 188 25.692 13.649 -13.453 1.00 0.00 N ATOM 128 CA LEU A 188 25.285 13.375 -12.069 1.00 0.00 C ATOM 129 C LEU A 188 25.416 11.862 -11.811 1.00 0.00 C ATOM 130 O LEU A 188 24.506 11.105 -12.149 1.00 0.00 O ATOM 131 CB LEU A 188 23.814 13.816 -11.823 1.00 0.00 C ATOM 132 CG LEU A 188 23.737 15.309 -11.426 1.00 0.00 C ATOM 133 CD1 LEU A 188 23.855 16.224 -12.657 1.00 0.00 C ATOM 134 CD2 LEU A 188 22.392 15.576 -10.737 1.00 0.00 C ATOM 0 H LEU A 188 25.222 13.066 -14.146 1.00 0.00 H new ATOM 0 HA LEU A 188 25.927 13.938 -11.391 1.00 0.00 H new ATOM 0 HB2 LEU A 188 23.225 13.646 -12.724 1.00 0.00 H new ATOM 0 HB3 LEU A 188 23.375 13.204 -11.035 1.00 0.00 H new ATOM 0 HG LEU A 188 24.567 15.526 -10.753 1.00 0.00 H new ATOM 0 HD11 LEU A 188 23.797 17.266 -12.343 1.00 0.00 H new ATOM 0 HD12 LEU A 188 24.810 16.047 -13.152 1.00 0.00 H new ATOM 0 HD13 LEU A 188 23.042 16.008 -13.350 1.00 0.00 H new ATOM 0 HD21 LEU A 188 22.330 16.627 -10.454 1.00 0.00 H new ATOM 0 HD22 LEU A 188 21.579 15.336 -11.422 1.00 0.00 H new ATOM 0 HD23 LEU A 188 22.310 14.955 -9.845 1.00 0.00 H new ATOM 146 N PRO A 189 26.516 11.391 -11.256 1.00 0.00 N ATOM 147 CA PRO A 189 26.714 9.929 -11.014 1.00 0.00 C ATOM 148 C PRO A 189 25.902 9.396 -9.831 1.00 0.00 C ATOM 149 O PRO A 189 25.568 10.135 -8.905 1.00 0.00 O ATOM 150 CB PRO A 189 28.226 9.816 -10.776 1.00 0.00 C ATOM 151 CG PRO A 189 28.608 11.120 -10.159 1.00 0.00 C ATOM 152 CD PRO A 189 27.683 12.175 -10.783 1.00 0.00 C ATOM 0 HA PRO A 189 26.363 9.323 -11.849 1.00 0.00 H new ATOM 0 HB2 PRO A 189 28.462 8.981 -10.116 1.00 0.00 H new ATOM 0 HB3 PRO A 189 28.763 9.647 -11.709 1.00 0.00 H new ATOM 0 HG2 PRO A 189 28.488 11.088 -9.076 1.00 0.00 H new ATOM 0 HG3 PRO A 189 29.654 11.353 -10.357 1.00 0.00 H new ATOM 0 HD2 PRO A 189 27.388 12.930 -10.054 1.00 0.00 H new ATOM 0 HD3 PRO A 189 28.172 12.699 -11.604 1.00 0.00 H new ATOM 160 N GLU A 190 25.590 8.102 -9.881 1.00 0.00 N ATOM 161 CA GLU A 190 24.813 7.460 -8.813 1.00 0.00 C ATOM 162 C GLU A 190 25.471 7.717 -7.455 1.00 0.00 C ATOM 163 O GLU A 190 26.646 7.402 -7.261 1.00 0.00 O ATOM 164 CB GLU A 190 24.711 5.943 -9.060 1.00 0.00 C ATOM 165 CG GLU A 190 23.855 5.287 -7.971 1.00 0.00 C ATOM 166 CD GLU A 190 23.715 3.795 -8.254 1.00 0.00 C ATOM 167 OE1 GLU A 190 24.473 3.293 -9.068 1.00 0.00 O ATOM 168 OE2 GLU A 190 22.853 3.177 -7.652 1.00 0.00 O ATOM 0 H GLU A 190 25.859 7.478 -10.642 1.00 0.00 H new ATOM 0 HA GLU A 190 23.810 7.887 -8.812 1.00 0.00 H new ATOM 0 HB2 GLU A 190 24.273 5.755 -10.040 1.00 0.00 H new ATOM 0 HB3 GLU A 190 25.707 5.500 -9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 190 24.313 5.440 -6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 190 22.871 5.754 -7.938 1.00 0.00 H new ATOM 175 N GLY A 191 24.717 8.305 -6.517 1.00 0.00 N ATOM 176 CA GLY A 191 25.247 8.615 -5.182 1.00 0.00 C ATOM 177 C GLY A 191 25.025 10.088 -4.864 1.00 0.00 C ATOM 178 O GLY A 191 25.275 10.536 -3.748 1.00 0.00 O ATOM 0 H GLY A 191 23.743 8.575 -6.656 1.00 0.00 H new ATOM 0 HA2 GLY A 191 24.755 7.994 -4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 191 26.311 8.382 -5.141 1.00 0.00 H new ATOM 182 N TRP A 192 24.552 10.833 -5.862 1.00 0.00 N ATOM 183 CA TRP A 192 24.306 12.258 -5.697 1.00 0.00 C ATOM 184 C TRP A 192 23.374 12.772 -6.789 1.00 0.00 C ATOM 185 O TRP A 192 23.827 13.325 -7.789 1.00 0.00 O ATOM 186 CB TRP A 192 25.627 13.025 -5.780 1.00 0.00 C ATOM 187 CG TRP A 192 26.493 12.677 -4.613 1.00 0.00 C ATOM 188 CD1 TRP A 192 27.534 11.814 -4.646 1.00 0.00 C ATOM 189 CD2 TRP A 192 26.418 13.172 -3.247 1.00 0.00 C ATOM 190 NE1 TRP A 192 28.100 11.747 -3.384 1.00 0.00 N ATOM 191 CE2 TRP A 192 27.445 12.566 -2.487 1.00 0.00 C ATOM 192 CE3 TRP A 192 25.563 14.078 -2.602 1.00 0.00 C ATOM 193 CZ2 TRP A 192 27.617 12.851 -1.132 1.00 0.00 C ATOM 194 CZ3 TRP A 192 25.732 14.370 -1.238 1.00 0.00 C ATOM 195 CH2 TRP A 192 26.757 13.759 -0.506 1.00 0.00 C ATOM 0 H TRP A 192 24.333 10.471 -6.790 1.00 0.00 H new ATOM 0 HA TRP A 192 23.842 12.413 -4.723 1.00 0.00 H new ATOM 0 HB2 TRP A 192 26.141 12.782 -6.710 1.00 0.00 H new ATOM 0 HB3 TRP A 192 25.434 14.098 -5.793 1.00 0.00 H new ATOM 0 HD1 TRP A 192 27.869 11.267 -5.515 1.00 0.00 H new ATOM 0 HE1 TRP A 192 28.903 11.164 -3.147 1.00 0.00 H new ATOM 0 HE3 TRP A 192 24.769 14.555 -3.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 28.408 12.374 -0.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 25.068 15.069 -0.752 1.00 0.00 H new ATOM 0 HH2 TRP A 192 26.884 13.989 0.542 1.00 0.00 H new ATOM 206 N GLU A 193 22.069 12.596 -6.589 1.00 0.00 N ATOM 207 CA GLU A 193 21.072 13.065 -7.571 1.00 0.00 C ATOM 208 C GLU A 193 20.261 14.215 -6.973 1.00 0.00 C ATOM 209 O GLU A 193 19.640 14.060 -5.926 1.00 0.00 O ATOM 210 CB GLU A 193 20.132 11.916 -7.981 1.00 0.00 C ATOM 211 CG GLU A 193 19.183 12.393 -9.082 1.00 0.00 C ATOM 212 CD GLU A 193 18.257 11.251 -9.490 1.00 0.00 C ATOM 213 OE1 GLU A 193 18.545 10.123 -9.126 1.00 0.00 O ATOM 214 OE2 GLU A 193 17.270 11.522 -10.155 1.00 0.00 O ATOM 0 H GLU A 193 21.673 12.138 -5.768 1.00 0.00 H new ATOM 0 HA GLU A 193 21.596 13.416 -8.460 1.00 0.00 H new ATOM 0 HB2 GLU A 193 20.715 11.065 -8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 193 19.561 11.575 -7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 193 18.597 13.241 -8.728 1.00 0.00 H new ATOM 0 HG3 GLU A 193 19.754 12.737 -9.944 1.00 0.00 H new ATOM 221 N GLN A 194 20.288 15.377 -7.629 1.00 0.00 N ATOM 222 CA GLN A 194 19.560 16.551 -7.124 1.00 0.00 C ATOM 223 C GLN A 194 18.060 16.440 -7.378 1.00 0.00 C ATOM 224 O GLN A 194 17.630 15.900 -8.398 1.00 0.00 O ATOM 225 CB GLN A 194 20.109 17.846 -7.764 1.00 0.00 C ATOM 226 CG GLN A 194 19.481 18.102 -9.147 1.00 0.00 C ATOM 227 CD GLN A 194 20.247 19.203 -9.871 1.00 0.00 C ATOM 228 OE1 GLN A 194 21.467 19.126 -10.006 1.00 0.00 O ATOM 229 NE2 GLN A 194 19.596 20.227 -10.351 1.00 0.00 N ATOM 0 H GLN A 194 20.797 15.533 -8.499 1.00 0.00 H new ATOM 0 HA GLN A 194 19.715 16.589 -6.046 1.00 0.00 H new ATOM 0 HB2 GLN A 194 19.905 18.692 -7.108 1.00 0.00 H new ATOM 0 HB3 GLN A 194 21.192 17.774 -7.863 1.00 0.00 H new ATOM 0 HG2 GLN A 194 19.498 17.187 -9.738 1.00 0.00 H new ATOM 0 HG3 GLN A 194 18.436 18.389 -9.033 1.00 0.00 H new ATOM 0 HE21 GLN A 194 18.584 20.287 -10.237 1.00 0.00 H new ATOM 0 HE22 GLN A 194 20.099 20.967 -10.840 1.00 0.00 H new ATOM 238 N ALA A 195 17.267 16.971 -6.447 1.00 0.00 N ATOM 239 CA ALA A 195 15.812 16.941 -6.593 1.00 0.00 C ATOM 240 C ALA A 195 15.143 17.857 -5.572 1.00 0.00 C ATOM 241 O ALA A 195 15.709 18.149 -4.518 1.00 0.00 O ATOM 242 CB ALA A 195 15.283 15.511 -6.439 1.00 0.00 C ATOM 0 H ALA A 195 17.602 17.421 -5.595 1.00 0.00 H new ATOM 0 HA ALA A 195 15.569 17.300 -7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 195 14.199 15.510 -6.551 1.00 0.00 H new ATOM 0 HB2 ALA A 195 15.727 14.874 -7.204 1.00 0.00 H new ATOM 0 HB3 ALA A 195 15.546 15.130 -5.452 1.00 0.00 H new ATOM 248 N ILE A 196 13.935 18.312 -5.902 1.00 0.00 N ATOM 249 CA ILE A 196 13.180 19.207 -5.024 1.00 0.00 C ATOM 250 C ILE A 196 12.245 18.392 -4.102 1.00 0.00 C ATOM 251 O ILE A 196 11.576 17.468 -4.563 1.00 0.00 O ATOM 252 CB ILE A 196 12.373 20.221 -5.897 1.00 0.00 C ATOM 253 CG1 ILE A 196 10.922 19.766 -6.158 1.00 0.00 C ATOM 254 CG2 ILE A 196 13.058 20.422 -7.260 1.00 0.00 C ATOM 255 CD1 ILE A 196 10.866 18.474 -6.991 1.00 0.00 C ATOM 0 H ILE A 196 13.457 18.076 -6.772 1.00 0.00 H new ATOM 0 HA ILE A 196 13.867 19.763 -4.386 1.00 0.00 H new ATOM 0 HB ILE A 196 12.349 21.151 -5.329 1.00 0.00 H new ATOM 0 HG12 ILE A 196 10.415 19.606 -5.206 1.00 0.00 H new ATOM 0 HG13 ILE A 196 10.382 20.557 -6.678 1.00 0.00 H new ATOM 0 HG21 ILE A 196 12.483 21.131 -7.855 1.00 0.00 H new ATOM 0 HG22 ILE A 196 14.065 20.809 -7.107 1.00 0.00 H new ATOM 0 HG23 ILE A 196 13.112 19.468 -7.784 1.00 0.00 H new ATOM 0 HD11 ILE A 196 9.826 18.189 -7.151 1.00 0.00 H new ATOM 0 HD12 ILE A 196 11.349 18.641 -7.954 1.00 0.00 H new ATOM 0 HD13 ILE A 196 11.383 17.675 -6.459 1.00 0.00 H new ATOM 267 N THR A 197 12.183 18.739 -2.807 1.00 0.00 N ATOM 268 CA THR A 197 11.302 18.023 -1.884 1.00 0.00 C ATOM 269 C THR A 197 9.841 18.303 -2.267 1.00 0.00 C ATOM 270 O THR A 197 9.576 19.185 -3.084 1.00 0.00 O ATOM 271 CB THR A 197 11.573 18.502 -0.429 1.00 0.00 C ATOM 272 OG1 THR A 197 12.505 19.569 -0.476 1.00 0.00 O ATOM 273 CG2 THR A 197 12.154 17.379 0.449 1.00 0.00 C ATOM 0 H THR A 197 12.722 19.496 -2.386 1.00 0.00 H new ATOM 0 HA THR A 197 11.493 16.952 -1.944 1.00 0.00 H new ATOM 0 HB THR A 197 10.625 18.815 0.009 1.00 0.00 H new ATOM 0 HG1 THR A 197 13.391 19.220 -0.709 1.00 0.00 H new ATOM 0 HG21 THR A 197 12.328 17.758 1.456 1.00 0.00 H new ATOM 0 HG22 THR A 197 11.450 16.548 0.490 1.00 0.00 H new ATOM 0 HG23 THR A 197 13.097 17.035 0.023 1.00 0.00 H new ATOM 281 N PRO A 198 8.892 17.605 -1.688 1.00 0.00 N ATOM 282 CA PRO A 198 7.446 17.835 -1.989 1.00 0.00 C ATOM 283 C PRO A 198 7.057 19.306 -1.821 1.00 0.00 C ATOM 284 O PRO A 198 6.180 19.808 -2.526 1.00 0.00 O ATOM 285 CB PRO A 198 6.715 16.945 -0.973 1.00 0.00 C ATOM 286 CG PRO A 198 7.692 15.867 -0.639 1.00 0.00 C ATOM 287 CD PRO A 198 9.073 16.523 -0.703 1.00 0.00 C ATOM 0 HA PRO A 198 7.194 17.593 -3.022 1.00 0.00 H new ATOM 0 HB2 PRO A 198 6.430 17.510 -0.085 1.00 0.00 H new ATOM 0 HB3 PRO A 198 5.799 16.532 -1.396 1.00 0.00 H new ATOM 0 HG2 PRO A 198 7.499 15.458 0.353 1.00 0.00 H new ATOM 0 HG3 PRO A 198 7.619 15.040 -1.345 1.00 0.00 H new ATOM 0 HD2 PRO A 198 9.379 16.911 0.269 1.00 0.00 H new ATOM 0 HD3 PRO A 198 9.840 15.816 -1.019 1.00 0.00 H new ATOM 295 N GLU A 199 7.713 19.990 -0.891 1.00 0.00 N ATOM 296 CA GLU A 199 7.424 21.409 -0.653 1.00 0.00 C ATOM 297 C GLU A 199 8.053 22.265 -1.754 1.00 0.00 C ATOM 298 O GLU A 199 7.706 23.433 -1.928 1.00 0.00 O ATOM 299 CB GLU A 199 7.970 21.822 0.721 1.00 0.00 C ATOM 300 CG GLU A 199 7.598 23.276 1.023 1.00 0.00 C ATOM 301 CD GLU A 199 8.081 23.650 2.420 1.00 0.00 C ATOM 302 OE1 GLU A 199 8.864 22.899 2.975 1.00 0.00 O ATOM 303 OE2 GLU A 199 7.660 24.682 2.916 1.00 0.00 O ATOM 0 H GLU A 199 8.440 19.596 -0.294 1.00 0.00 H new ATOM 0 HA GLU A 199 6.345 21.564 -0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 199 7.565 21.168 1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 199 9.054 21.705 0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 199 8.048 23.938 0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 199 6.518 23.407 0.954 1.00 0.00 H new ATOM 310 N GLY A 200 8.976 21.668 -2.507 1.00 0.00 N ATOM 311 CA GLY A 200 9.649 22.380 -3.603 1.00 0.00 C ATOM 312 C GLY A 200 11.038 22.861 -3.169 1.00 0.00 C ATOM 313 O GLY A 200 11.764 23.462 -3.962 1.00 0.00 O ATOM 0 H GLY A 200 9.276 20.701 -2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 200 9.741 21.722 -4.467 1.00 0.00 H new ATOM 0 HA3 GLY A 200 9.045 23.232 -3.914 1.00 0.00 H new ATOM 317 N GLU A 201 11.416 22.586 -1.914 1.00 0.00 N ATOM 318 CA GLU A 201 12.731 22.997 -1.420 1.00 0.00 C ATOM 319 C GLU A 201 13.836 22.216 -2.127 1.00 0.00 C ATOM 320 O GLU A 201 13.857 20.985 -2.095 1.00 0.00 O ATOM 321 CB GLU A 201 12.810 22.750 0.091 1.00 0.00 C ATOM 322 CG GLU A 201 11.956 23.779 0.831 1.00 0.00 C ATOM 323 CD GLU A 201 11.928 23.454 2.320 1.00 0.00 C ATOM 324 OE1 GLU A 201 12.572 22.494 2.708 1.00 0.00 O ATOM 325 OE2 GLU A 201 11.265 24.172 3.050 1.00 0.00 O ATOM 0 H GLU A 201 10.840 22.089 -1.235 1.00 0.00 H new ATOM 0 HA GLU A 201 12.868 24.059 -1.626 1.00 0.00 H new ATOM 0 HB2 GLU A 201 12.463 21.743 0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 201 13.845 22.816 0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 201 12.360 24.779 0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 201 10.942 23.779 0.431 1.00 0.00 H new ATOM 332 N ILE A 202 14.756 22.942 -2.758 1.00 0.00 N ATOM 333 CA ILE A 202 15.869 22.305 -3.462 1.00 0.00 C ATOM 334 C ILE A 202 16.817 21.693 -2.439 1.00 0.00 C ATOM 335 O ILE A 202 17.137 22.298 -1.416 1.00 0.00 O ATOM 336 CB ILE A 202 16.560 23.345 -4.415 1.00 0.00 C ATOM 337 CG1 ILE A 202 16.427 22.927 -5.926 1.00 0.00 C ATOM 338 CG2 ILE A 202 18.049 23.512 -4.061 1.00 0.00 C ATOM 339 CD1 ILE A 202 15.308 23.720 -6.623 1.00 0.00 C ATOM 0 H ILE A 202 14.755 23.961 -2.797 1.00 0.00 H new ATOM 0 HA ILE A 202 15.517 21.494 -4.099 1.00 0.00 H new ATOM 0 HB ILE A 202 16.046 24.296 -4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 202 17.373 23.100 -6.439 1.00 0.00 H new ATOM 0 HG13 ILE A 202 16.217 21.860 -5.994 1.00 0.00 H new ATOM 0 HG21 ILE A 202 18.504 24.237 -4.735 1.00 0.00 H new ATOM 0 HG22 ILE A 202 18.141 23.864 -3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 202 18.557 22.553 -4.163 1.00 0.00 H new ATOM 0 HD11 ILE A 202 15.238 23.411 -7.666 1.00 0.00 H new ATOM 0 HD12 ILE A 202 14.359 23.526 -6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 202 15.533 24.785 -6.575 1.00 0.00 H new ATOM 351 N TYR A 203 17.238 20.471 -2.730 1.00 0.00 N ATOM 352 CA TYR A 203 18.132 19.746 -1.838 1.00 0.00 C ATOM 353 C TYR A 203 18.784 18.584 -2.599 1.00 0.00 C ATOM 354 O TYR A 203 18.337 18.228 -3.689 1.00 0.00 O ATOM 355 CB TYR A 203 17.364 19.289 -0.570 1.00 0.00 C ATOM 356 CG TYR A 203 16.510 18.050 -0.809 1.00 0.00 C ATOM 357 CD1 TYR A 203 15.398 18.092 -1.669 1.00 0.00 C ATOM 358 CD2 TYR A 203 16.820 16.856 -0.141 1.00 0.00 C ATOM 359 CE1 TYR A 203 14.614 16.951 -1.861 1.00 0.00 C ATOM 360 CE2 TYR A 203 16.030 15.719 -0.329 1.00 0.00 C ATOM 361 CZ TYR A 203 14.925 15.765 -1.189 1.00 0.00 C ATOM 362 OH TYR A 203 14.149 14.639 -1.379 1.00 0.00 O ATOM 0 H TYR A 203 16.976 19.962 -3.574 1.00 0.00 H new ATOM 0 HA TYR A 203 18.936 20.397 -1.496 1.00 0.00 H new ATOM 0 HB2 TYR A 203 18.078 19.083 0.227 1.00 0.00 H new ATOM 0 HB3 TYR A 203 16.726 20.103 -0.225 1.00 0.00 H new ATOM 0 HD1 TYR A 203 15.149 19.009 -2.183 1.00 0.00 H new ATOM 0 HD2 TYR A 203 17.672 16.815 0.521 1.00 0.00 H new ATOM 0 HE1 TYR A 203 13.767 16.985 -2.530 1.00 0.00 H new ATOM 0 HE2 TYR A 203 16.272 14.803 0.190 1.00 0.00 H new ATOM 0 HH TYR A 203 14.503 13.902 -0.838 1.00 0.00 H new ATOM 372 N TYR A 204 19.870 18.030 -2.056 1.00 0.00 N ATOM 373 CA TYR A 204 20.605 16.949 -2.735 1.00 0.00 C ATOM 374 C TYR A 204 20.388 15.594 -2.037 1.00 0.00 C ATOM 375 O TYR A 204 20.287 15.533 -0.810 1.00 0.00 O ATOM 376 CB TYR A 204 22.107 17.325 -2.720 1.00 0.00 C ATOM 377 CG TYR A 204 22.476 18.151 -3.947 1.00 0.00 C ATOM 378 CD1 TYR A 204 21.817 19.364 -4.216 1.00 0.00 C ATOM 379 CD2 TYR A 204 23.503 17.716 -4.802 1.00 0.00 C ATOM 380 CE1 TYR A 204 22.185 20.129 -5.333 1.00 0.00 C ATOM 381 CE2 TYR A 204 23.861 18.480 -5.916 1.00 0.00 C ATOM 382 CZ TYR A 204 23.205 19.685 -6.181 1.00 0.00 C ATOM 383 OH TYR A 204 23.562 20.439 -7.282 1.00 0.00 O ATOM 0 H TYR A 204 20.261 18.306 -1.155 1.00 0.00 H new ATOM 0 HA TYR A 204 20.240 16.842 -3.757 1.00 0.00 H new ATOM 0 HB2 TYR A 204 22.335 17.889 -1.816 1.00 0.00 H new ATOM 0 HB3 TYR A 204 22.712 16.419 -2.692 1.00 0.00 H new ATOM 0 HD1 TYR A 204 21.028 19.706 -3.563 1.00 0.00 H new ATOM 0 HD2 TYR A 204 24.017 16.788 -4.598 1.00 0.00 H new ATOM 0 HE1 TYR A 204 21.680 21.061 -5.538 1.00 0.00 H new ATOM 0 HE2 TYR A 204 24.647 18.138 -6.574 1.00 0.00 H new ATOM 0 HH TYR A 204 24.287 19.990 -7.765 1.00 0.00 H new ATOM 393 N ILE A 205 20.314 14.502 -2.828 1.00 0.00 N ATOM 394 CA ILE A 205 20.107 13.162 -2.271 1.00 0.00 C ATOM 395 C ILE A 205 21.371 12.315 -2.413 1.00 0.00 C ATOM 396 O ILE A 205 21.829 12.049 -3.523 1.00 0.00 O ATOM 397 CB ILE A 205 18.977 12.442 -3.037 1.00 0.00 C ATOM 398 CG1 ILE A 205 17.842 13.430 -3.354 1.00 0.00 C ATOM 399 CG2 ILE A 205 18.444 11.278 -2.192 1.00 0.00 C ATOM 400 CD1 ILE A 205 16.586 12.671 -3.803 1.00 0.00 C ATOM 0 H ILE A 205 20.395 14.528 -3.844 1.00 0.00 H new ATOM 0 HA ILE A 205 19.850 13.278 -1.218 1.00 0.00 H new ATOM 0 HB ILE A 205 19.371 12.051 -3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 205 17.617 14.031 -2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 205 18.158 14.119 -4.137 1.00 0.00 H new ATOM 0 HG21 ILE A 205 17.646 10.770 -2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 205 19.252 10.574 -1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 205 18.055 11.661 -1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 205 15.790 13.383 -4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 205 16.812 12.090 -4.697 1.00 0.00 H new ATOM 0 HD13 ILE A 205 16.262 12.000 -3.007 1.00 0.00 H new ATOM 412 N ASN A 206 21.904 11.860 -1.284 1.00 0.00 N ATOM 413 CA ASN A 206 23.083 11.003 -1.302 1.00 0.00 C ATOM 414 C ASN A 206 22.619 9.559 -1.449 1.00 0.00 C ATOM 415 O ASN A 206 22.329 8.891 -0.455 1.00 0.00 O ATOM 416 CB ASN A 206 23.880 11.168 0.000 1.00 0.00 C ATOM 417 CG ASN A 206 23.931 12.641 0.393 1.00 0.00 C ATOM 418 OD1 ASN A 206 23.406 13.492 -0.324 1.00 0.00 O ATOM 419 ND2 ASN A 206 24.534 12.993 1.494 1.00 0.00 N ATOM 0 H ASN A 206 21.542 12.068 -0.353 1.00 0.00 H new ATOM 0 HA ASN A 206 23.731 11.278 -2.134 1.00 0.00 H new ATOM 0 HB2 ASN A 206 23.417 10.586 0.797 1.00 0.00 H new ATOM 0 HB3 ASN A 206 24.891 10.782 -0.131 1.00 0.00 H new ATOM 0 HD21 ASN A 206 24.571 13.976 1.763 1.00 0.00 H new ATOM 0 HD22 ASN A 206 24.968 12.285 2.086 1.00 0.00 H new ATOM 426 N HIS A 207 22.522 9.083 -2.691 1.00 0.00 N ATOM 427 CA HIS A 207 22.057 7.722 -2.928 1.00 0.00 C ATOM 428 C HIS A 207 23.084 6.705 -2.447 1.00 0.00 C ATOM 429 O HIS A 207 22.966 5.511 -2.720 1.00 0.00 O ATOM 430 CB HIS A 207 21.743 7.501 -4.414 1.00 0.00 C ATOM 431 CG HIS A 207 20.498 8.262 -4.785 1.00 0.00 C ATOM 432 ND1 HIS A 207 19.229 7.745 -4.573 1.00 0.00 N ATOM 433 CD2 HIS A 207 20.309 9.499 -5.351 1.00 0.00 C ATOM 434 CE1 HIS A 207 18.341 8.659 -5.007 1.00 0.00 C ATOM 435 NE2 HIS A 207 18.946 9.746 -5.491 1.00 0.00 N ATOM 0 H HIS A 207 22.755 9.611 -3.532 1.00 0.00 H new ATOM 0 HA HIS A 207 21.139 7.580 -2.358 1.00 0.00 H new ATOM 0 HB2 HIS A 207 22.581 7.834 -5.027 1.00 0.00 H new ATOM 0 HB3 HIS A 207 21.605 6.438 -4.613 1.00 0.00 H new ATOM 0 HD1 HIS A 207 19.008 6.837 -4.163 1.00 0.00 H new ATOM 0 HD2 HIS A 207 21.097 10.177 -5.643 1.00 0.00 H new ATOM 0 HE1 HIS A 207 17.270 8.529 -4.968 1.00 0.00 H new ATOM 443 N LYS A 208 24.078 7.182 -1.704 1.00 0.00 N ATOM 444 CA LYS A 208 25.106 6.297 -1.164 1.00 0.00 C ATOM 445 C LYS A 208 24.613 5.652 0.128 1.00 0.00 C ATOM 446 O LYS A 208 25.172 4.658 0.590 1.00 0.00 O ATOM 447 CB LYS A 208 26.397 7.073 -0.886 1.00 0.00 C ATOM 448 CG LYS A 208 27.086 7.445 -2.204 1.00 0.00 C ATOM 449 CD LYS A 208 28.364 8.226 -1.898 1.00 0.00 C ATOM 450 CE LYS A 208 29.138 8.479 -3.192 1.00 0.00 C ATOM 451 NZ LYS A 208 28.325 9.331 -4.106 1.00 0.00 N ATOM 0 H LYS A 208 24.194 8.166 -1.463 1.00 0.00 H new ATOM 0 HA LYS A 208 25.313 5.523 -1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 208 26.172 7.975 -0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 208 27.068 6.470 -0.274 1.00 0.00 H new ATOM 0 HG2 LYS A 208 27.322 6.545 -2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 208 26.417 8.045 -2.821 1.00 0.00 H new ATOM 0 HD2 LYS A 208 28.116 9.174 -1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 208 28.983 7.667 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 208 30.086 8.969 -2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 208 29.374 7.532 -3.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 28.079 8.789 -4.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 27.454 9.628 -3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 28.874 10.172 -4.377 1.00 0.00 H new ATOM 465 N ASN A 209 23.556 6.222 0.704 1.00 0.00 N ATOM 466 CA ASN A 209 22.990 5.687 1.941 1.00 0.00 C ATOM 467 C ASN A 209 21.539 6.134 2.110 1.00 0.00 C ATOM 468 O ASN A 209 20.959 6.003 3.188 1.00 0.00 O ATOM 469 CB ASN A 209 23.824 6.154 3.138 1.00 0.00 C ATOM 470 CG ASN A 209 24.180 7.629 2.989 1.00 0.00 C ATOM 471 OD1 ASN A 209 25.160 8.094 3.571 1.00 0.00 O ATOM 472 ND2 ASN A 209 23.443 8.399 2.233 1.00 0.00 N ATOM 0 H ASN A 209 23.078 7.046 0.339 1.00 0.00 H new ATOM 0 HA ASN A 209 23.011 4.598 1.889 1.00 0.00 H new ATOM 0 HB2 ASN A 209 23.266 5.999 4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 209 24.734 5.558 3.211 1.00 0.00 H new ATOM 0 HD21 ASN A 209 23.680 9.385 2.125 1.00 0.00 H new ATOM 0 HD22 ASN A 209 22.631 8.014 1.751 1.00 0.00 H new ATOM 479 N LYS A 210 20.957 6.658 1.037 1.00 0.00 N ATOM 480 CA LYS A 210 19.569 7.117 1.082 1.00 0.00 C ATOM 481 C LYS A 210 19.385 8.120 2.217 1.00 0.00 C ATOM 482 O LYS A 210 18.654 7.859 3.173 1.00 0.00 O ATOM 483 CB LYS A 210 18.633 5.921 1.303 1.00 0.00 C ATOM 484 CG LYS A 210 18.795 4.879 0.185 1.00 0.00 C ATOM 485 CD LYS A 210 18.185 5.380 -1.133 1.00 0.00 C ATOM 486 CE LYS A 210 18.295 4.279 -2.189 1.00 0.00 C ATOM 487 NZ LYS A 210 17.686 4.751 -3.464 1.00 0.00 N ATOM 0 H LYS A 210 21.416 6.776 0.134 1.00 0.00 H new ATOM 0 HA LYS A 210 19.327 7.599 0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 210 18.847 5.461 2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 210 17.599 6.265 1.337 1.00 0.00 H new ATOM 0 HG2 LYS A 210 19.853 4.659 0.039 1.00 0.00 H new ATOM 0 HG3 LYS A 210 18.314 3.947 0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 210 17.141 5.654 -0.983 1.00 0.00 H new ATOM 0 HD3 LYS A 210 18.704 6.277 -1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 210 19.341 4.016 -2.348 1.00 0.00 H new ATOM 0 HE3 LYS A 210 17.789 3.377 -1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 17.031 4.028 -3.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 17.166 5.635 -3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 18.435 4.919 -4.165 1.00 0.00 H new ATOM 501 N THR A 211 20.060 9.266 2.111 1.00 0.00 N ATOM 502 CA THR A 211 19.976 10.312 3.133 1.00 0.00 C ATOM 503 C THR A 211 19.737 11.673 2.485 1.00 0.00 C ATOM 504 O THR A 211 19.929 11.838 1.281 1.00 0.00 O ATOM 505 CB THR A 211 21.276 10.356 3.944 1.00 0.00 C ATOM 506 OG1 THR A 211 22.345 10.741 3.092 1.00 0.00 O ATOM 507 CG2 THR A 211 21.568 8.976 4.539 1.00 0.00 C ATOM 0 H THR A 211 20.672 9.494 1.327 1.00 0.00 H new ATOM 0 HA THR A 211 19.141 10.082 3.795 1.00 0.00 H new ATOM 0 HB THR A 211 21.172 11.077 4.754 1.00 0.00 H new ATOM 0 HG1 THR A 211 23.179 10.772 3.606 1.00 0.00 H new ATOM 0 HG21 THR A 211 22.493 9.016 5.114 1.00 0.00 H new ATOM 0 HG22 THR A 211 20.747 8.681 5.193 1.00 0.00 H new ATOM 0 HG23 THR A 211 21.672 8.248 3.735 1.00 0.00 H new ATOM 515 N THR A 212 19.317 12.642 3.296 1.00 0.00 N ATOM 516 CA THR A 212 19.049 13.997 2.804 1.00 0.00 C ATOM 517 C THR A 212 20.174 14.940 3.237 1.00 0.00 C ATOM 518 O THR A 212 20.624 14.878 4.382 1.00 0.00 O ATOM 519 CB THR A 212 17.731 14.498 3.402 1.00 0.00 C ATOM 520 OG1 THR A 212 17.887 14.650 4.805 1.00 0.00 O ATOM 521 CG2 THR A 212 16.620 13.488 3.121 1.00 0.00 C ATOM 0 H THR A 212 19.154 12.517 4.295 1.00 0.00 H new ATOM 0 HA THR A 212 18.987 13.976 1.716 1.00 0.00 H new ATOM 0 HB THR A 212 17.467 15.455 2.953 1.00 0.00 H new ATOM 0 HG1 THR A 212 18.841 14.682 5.026 1.00 0.00 H new ATOM 0 HG21 THR A 212 15.684 13.848 3.548 1.00 0.00 H new ATOM 0 HG22 THR A 212 16.504 13.365 2.044 1.00 0.00 H new ATOM 0 HG23 THR A 212 16.878 12.529 3.570 1.00 0.00 H new ATOM 529 N SER A 213 20.638 15.811 2.333 1.00 0.00 N ATOM 530 CA SER A 213 21.721 16.742 2.674 1.00 0.00 C ATOM 531 C SER A 213 21.555 18.070 1.918 1.00 0.00 C ATOM 532 O SER A 213 21.409 18.069 0.696 1.00 0.00 O ATOM 533 CB SER A 213 23.067 16.113 2.283 1.00 0.00 C ATOM 534 OG SER A 213 23.339 16.415 0.921 1.00 0.00 O ATOM 0 H SER A 213 20.289 15.891 1.378 1.00 0.00 H new ATOM 0 HA SER A 213 21.688 16.939 3.746 1.00 0.00 H new ATOM 0 HB2 SER A 213 23.862 16.499 2.921 1.00 0.00 H new ATOM 0 HB3 SER A 213 23.035 15.033 2.431 1.00 0.00 H new ATOM 0 HG SER A 213 23.358 15.585 0.399 1.00 0.00 H new ATOM 540 N TRP A 214 21.609 19.207 2.631 1.00 0.00 N ATOM 541 CA TRP A 214 21.497 20.512 1.956 1.00 0.00 C ATOM 542 C TRP A 214 22.855 20.874 1.366 1.00 0.00 C ATOM 543 O TRP A 214 23.014 21.900 0.704 1.00 0.00 O ATOM 544 CB TRP A 214 21.032 21.630 2.915 1.00 0.00 C ATOM 545 CG TRP A 214 20.737 22.878 2.123 1.00 0.00 C ATOM 546 CD1 TRP A 214 21.651 23.835 1.799 1.00 0.00 C ATOM 547 CD2 TRP A 214 19.459 23.338 1.558 1.00 0.00 C ATOM 548 NE1 TRP A 214 21.024 24.828 1.073 1.00 0.00 N ATOM 549 CE2 TRP A 214 19.680 24.574 0.900 1.00 0.00 C ATOM 550 CE3 TRP A 214 18.143 22.815 1.545 1.00 0.00 C ATOM 551 CZ2 TRP A 214 18.648 25.261 0.260 1.00 0.00 C ATOM 552 CZ3 TRP A 214 17.107 23.509 0.900 1.00 0.00 C ATOM 553 CH2 TRP A 214 17.359 24.728 0.260 1.00 0.00 C ATOM 0 H TRP A 214 21.726 19.252 3.643 1.00 0.00 H new ATOM 0 HA TRP A 214 20.743 20.426 1.173 1.00 0.00 H new ATOM 0 HB2 TRP A 214 20.142 21.312 3.458 1.00 0.00 H new ATOM 0 HB3 TRP A 214 21.804 21.831 3.658 1.00 0.00 H new ATOM 0 HD1 TRP A 214 22.697 23.819 2.067 1.00 0.00 H new ATOM 0 HE1 TRP A 214 21.500 25.653 0.707 1.00 0.00 H new ATOM 0 HE3 TRP A 214 17.935 21.875 2.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 214 18.846 26.201 -0.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 214 16.108 23.099 0.898 1.00 0.00 H new ATOM 0 HH2 TRP A 214 16.556 25.255 -0.233 1.00 0.00 H new ATOM 564 N LEU A 215 23.833 20.005 1.616 1.00 0.00 N ATOM 565 CA LEU A 215 25.192 20.194 1.125 1.00 0.00 C ATOM 566 C LEU A 215 25.158 20.727 -0.317 1.00 0.00 C ATOM 567 O LEU A 215 24.613 20.077 -1.207 1.00 0.00 O ATOM 568 CB LEU A 215 25.936 18.821 1.239 1.00 0.00 C ATOM 569 CG LEU A 215 27.089 18.642 0.204 1.00 0.00 C ATOM 570 CD1 LEU A 215 28.274 17.902 0.857 1.00 0.00 C ATOM 571 CD2 LEU A 215 26.607 17.815 -1.014 1.00 0.00 C ATOM 0 H LEU A 215 23.704 19.154 2.163 1.00 0.00 H new ATOM 0 HA LEU A 215 25.730 20.934 1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 215 26.345 18.722 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 215 25.214 18.015 1.108 1.00 0.00 H new ATOM 0 HG LEU A 215 27.400 19.633 -0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 215 29.074 17.781 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 215 28.641 18.480 1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 215 27.946 16.921 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 215 27.426 17.702 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 215 26.279 16.831 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 215 25.776 18.329 -1.497 1.00 0.00 H new ATOM 583 N ASP A 216 25.712 21.931 -0.533 1.00 0.00 N ATOM 584 CA ASP A 216 25.716 22.539 -1.864 1.00 0.00 C ATOM 585 C ASP A 216 26.142 21.503 -2.915 1.00 0.00 C ATOM 586 O ASP A 216 26.453 20.360 -2.578 1.00 0.00 O ATOM 587 CB ASP A 216 26.659 23.769 -1.889 1.00 0.00 C ATOM 588 CG ASP A 216 26.998 24.214 -0.468 1.00 0.00 C ATOM 589 OD1 ASP A 216 26.078 24.523 0.273 1.00 0.00 O ATOM 590 OD2 ASP A 216 28.173 24.237 -0.140 1.00 0.00 O ATOM 0 H ASP A 216 26.157 22.494 0.192 1.00 0.00 H new ATOM 0 HA ASP A 216 24.708 22.878 -2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 216 27.574 23.522 -2.427 1.00 0.00 H new ATOM 0 HB3 ASP A 216 26.184 24.588 -2.429 1.00 0.00 H new ATOM 595 N PRO A 217 26.149 21.862 -4.175 1.00 0.00 N ATOM 596 CA PRO A 217 26.524 20.912 -5.266 1.00 0.00 C ATOM 597 C PRO A 217 27.889 20.268 -5.034 1.00 0.00 C ATOM 598 O PRO A 217 28.821 20.907 -4.550 1.00 0.00 O ATOM 599 CB PRO A 217 26.516 21.785 -6.533 1.00 0.00 C ATOM 600 CG PRO A 217 25.617 22.933 -6.202 1.00 0.00 C ATOM 601 CD PRO A 217 25.813 23.196 -4.710 1.00 0.00 C ATOM 0 HA PRO A 217 25.836 20.069 -5.329 1.00 0.00 H new ATOM 0 HB2 PRO A 217 27.520 22.128 -6.783 1.00 0.00 H new ATOM 0 HB3 PRO A 217 26.146 21.229 -7.394 1.00 0.00 H new ATOM 0 HG2 PRO A 217 25.873 23.813 -6.792 1.00 0.00 H new ATOM 0 HG3 PRO A 217 24.577 22.692 -6.424 1.00 0.00 H new ATOM 0 HD2 PRO A 217 26.612 23.915 -4.529 1.00 0.00 H new ATOM 0 HD3 PRO A 217 24.911 23.599 -4.250 1.00 0.00 H new ATOM 609 N ARG A 218 27.984 18.986 -5.377 1.00 0.00 N ATOM 610 CA ARG A 218 29.224 18.238 -5.198 1.00 0.00 C ATOM 611 C ARG A 218 30.369 18.858 -6.004 1.00 0.00 C ATOM 612 O ARG A 218 31.500 18.905 -5.524 1.00 0.00 O ATOM 613 CB ARG A 218 29.029 16.770 -5.626 1.00 0.00 C ATOM 614 CG ARG A 218 30.300 15.940 -5.329 1.00 0.00 C ATOM 615 CD ARG A 218 30.368 14.750 -6.287 1.00 0.00 C ATOM 616 NE ARG A 218 31.514 13.906 -5.969 1.00 0.00 N ATOM 617 CZ ARG A 218 31.978 13.018 -6.841 1.00 0.00 C ATOM 618 NH1 ARG A 218 31.381 12.861 -7.992 1.00 0.00 N ATOM 619 NH2 ARG A 218 33.018 12.289 -6.540 1.00 0.00 N ATOM 0 H ARG A 218 27.219 18.445 -5.780 1.00 0.00 H new ATOM 0 HA ARG A 218 29.485 18.278 -4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 218 28.177 16.342 -5.097 1.00 0.00 H new ATOM 0 HB3 ARG A 218 28.799 16.724 -6.690 1.00 0.00 H new ATOM 0 HG2 ARG A 218 31.188 16.562 -5.442 1.00 0.00 H new ATOM 0 HG3 ARG A 218 30.285 15.589 -4.297 1.00 0.00 H new ATOM 0 HD2 ARG A 218 29.449 14.167 -6.219 1.00 0.00 H new ATOM 0 HD3 ARG A 218 30.444 15.106 -7.314 1.00 0.00 H new ATOM 0 HE ARG A 218 31.968 13.999 -5.060 1.00 0.00 H new ATOM 0 HH11 ARG A 218 30.559 13.420 -8.221 1.00 0.00 H new ATOM 0 HH12 ARG A 218 31.737 12.179 -8.662 1.00 0.00 H new ATOM 0 HH21 ARG A 218 33.475 12.401 -5.635 1.00 0.00 H new ATOM 0 HH22 ARG A 218 33.374 11.607 -7.210 1.00 0.00 H new ATOM 633 N LEU A 219 30.087 19.310 -7.233 1.00 0.00 N ATOM 634 CA LEU A 219 31.138 19.896 -8.084 1.00 0.00 C ATOM 635 C LEU A 219 30.878 21.387 -8.296 1.00 0.00 C ATOM 636 O LEU A 219 30.534 21.824 -9.394 1.00 0.00 O ATOM 637 CB LEU A 219 31.194 19.161 -9.441 1.00 0.00 C ATOM 638 CG LEU A 219 32.372 19.665 -10.300 1.00 0.00 C ATOM 639 CD1 LEU A 219 33.723 19.232 -9.693 1.00 0.00 C ATOM 640 CD2 LEU A 219 32.227 19.081 -11.710 1.00 0.00 C ATOM 0 H LEU A 219 29.160 19.284 -7.657 1.00 0.00 H new ATOM 0 HA LEU A 219 32.100 19.780 -7.584 1.00 0.00 H new ATOM 0 HB2 LEU A 219 31.296 18.089 -9.273 1.00 0.00 H new ATOM 0 HB3 LEU A 219 30.258 19.312 -9.978 1.00 0.00 H new ATOM 0 HG LEU A 219 32.353 20.754 -10.334 1.00 0.00 H new ATOM 0 HD11 LEU A 219 34.537 19.600 -10.318 1.00 0.00 H new ATOM 0 HD12 LEU A 219 33.820 19.646 -8.689 1.00 0.00 H new ATOM 0 HD13 LEU A 219 33.767 18.144 -9.643 1.00 0.00 H new ATOM 0 HD21 LEU A 219 33.052 19.426 -12.333 1.00 0.00 H new ATOM 0 HD22 LEU A 219 32.244 17.992 -11.656 1.00 0.00 H new ATOM 0 HD23 LEU A 219 31.282 19.408 -12.144 1.00 0.00 H new ATOM 652 N GLU A 220 31.042 22.160 -7.228 1.00 0.00 N ATOM 653 CA GLU A 220 30.830 23.601 -7.290 1.00 0.00 C ATOM 654 C GLU A 220 31.937 24.265 -8.106 1.00 0.00 C ATOM 655 O GLU A 220 31.721 25.299 -8.736 1.00 0.00 O ATOM 656 CB GLU A 220 30.797 24.186 -5.869 1.00 0.00 C ATOM 657 CG GLU A 220 30.436 25.676 -5.913 1.00 0.00 C ATOM 658 CD GLU A 220 28.983 25.858 -6.349 1.00 0.00 C ATOM 659 OE1 GLU A 220 28.282 24.865 -6.443 1.00 0.00 O ATOM 660 OE2 GLU A 220 28.593 26.992 -6.572 1.00 0.00 O ATOM 0 H GLU A 220 31.321 21.813 -6.310 1.00 0.00 H new ATOM 0 HA GLU A 220 29.875 23.796 -7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 220 30.069 23.646 -5.264 1.00 0.00 H new ATOM 0 HB3 GLU A 220 31.768 24.054 -5.392 1.00 0.00 H new ATOM 0 HG2 GLU A 220 30.586 26.123 -4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 220 31.098 26.197 -6.604 1.00 0.00 H new ATOM 667 N THR A 221 33.126 23.666 -8.081 1.00 0.00 N ATOM 668 CA THR A 221 34.269 24.209 -8.811 1.00 0.00 C ATOM 669 C THR A 221 34.342 25.727 -8.663 1.00 0.00 C ATOM 670 O THR A 221 34.702 26.437 -9.598 1.00 0.00 O ATOM 671 CB THR A 221 34.201 23.811 -10.299 1.00 0.00 C ATOM 672 OG1 THR A 221 35.382 24.254 -10.952 1.00 0.00 O ATOM 673 CG2 THR A 221 32.971 24.424 -10.999 1.00 0.00 C ATOM 0 H THR A 221 33.322 22.808 -7.565 1.00 0.00 H new ATOM 0 HA THR A 221 35.176 23.784 -8.382 1.00 0.00 H new ATOM 0 HB THR A 221 34.113 22.726 -10.357 1.00 0.00 H new ATOM 0 HG1 THR A 221 35.518 25.207 -10.770 1.00 0.00 H new ATOM 0 HG21 THR A 221 32.959 24.120 -12.046 1.00 0.00 H new ATOM 0 HG22 THR A 221 32.062 24.075 -10.509 1.00 0.00 H new ATOM 0 HG23 THR A 221 33.021 25.511 -10.937 1.00 0.00 H new ATOM 681 N ARG A 222 33.997 26.213 -7.474 1.00 0.00 N ATOM 682 CA ARG A 222 34.029 27.649 -7.207 1.00 0.00 C ATOM 683 C ARG A 222 33.181 28.398 -8.228 1.00 0.00 C ATOM 684 O ARG A 222 32.061 28.749 -7.897 1.00 0.00 O ATOM 685 CB ARG A 222 35.474 28.159 -7.272 1.00 0.00 C ATOM 686 CG ARG A 222 35.515 29.642 -6.884 1.00 0.00 C ATOM 687 CD ARG A 222 36.962 30.139 -6.913 1.00 0.00 C ATOM 688 NE ARG A 222 37.035 31.494 -6.377 1.00 0.00 N ATOM 689 CZ ARG A 222 38.114 32.250 -6.553 1.00 0.00 C ATOM 690 NH1 ARG A 222 39.133 31.791 -7.227 1.00 0.00 N ATOM 691 NH2 ARG A 222 38.157 33.452 -6.046 1.00 0.00 N ATOM 692 OXT ARG A 222 33.665 28.613 -9.327 1.00 0.00 O ATOM 0 H ARG A 222 33.695 25.640 -6.686 1.00 0.00 H new ATOM 0 HA ARG A 222 33.624 27.826 -6.211 1.00 0.00 H new ATOM 0 HB2 ARG A 222 36.105 27.579 -6.599 1.00 0.00 H new ATOM 0 HB3 ARG A 222 35.873 28.025 -8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 222 34.905 30.226 -7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 222 35.092 29.780 -5.889 1.00 0.00 H new ATOM 0 HD2 ARG A 222 37.596 29.473 -6.328 1.00 0.00 H new ATOM 0 HD3 ARG A 222 37.340 30.122 -7.935 1.00 0.00 H new ATOM 0 HE ARG A 222 36.242 31.869 -5.857 1.00 0.00 H new ATOM 0 HH11 ARG A 222 39.102 30.850 -7.620 1.00 0.00 H new ATOM 0 HH12 ARG A 222 39.960 32.373 -7.361 1.00 0.00 H new ATOM 0 HH21 ARG A 222 37.363 33.810 -5.515 1.00 0.00 H new ATOM 0 HH22 ARG A 222 38.985 34.033 -6.180 1.00 0.00 H new TER 706 ARG A 222