USER MOD reduce.3.24.130724 H: found=0, std=0, add=340, rem=0, adj=15 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= -3.31 K(o=-2.5,f=-5.3!) USER MOD Set 1.2: A 209 ASN :FLIP amide:sc= -0.375 F(o=-11!,f=-2.5) USER MOD Set 1.3: A 211 THR OG1 : rot -74:sc= 1.2 USER MOD Set 2.1: A 178 SER OG : rot -108:sc= 0.97! USER MOD Set 2.2: A 181 SER OG : rot -74:sc= 0.504! USER MOD Single : A 180 ASN : amide:sc= -0.747 K(o=-0.75,f=-7!) USER MOD Single : A 182 SER OG : rot 180:sc= 0 USER MOD Single : A 185 SER OG : rot 180:sc= 0 USER MOD Single : A 194 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 197 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 203 TYR OH : rot 180:sc= 0 USER MOD Single : A 204 TYR OH : rot 180:sc= -0.049 USER MOD Single : A 207 HIS : no HD1:sc= -2.46! X(o=-2.5!,f=-2.4) USER MOD Single : A 208 LYS NZ :NH3+ -148:sc= -0.772 (180deg=-2.27!) USER MOD Single : A 210 LYS NZ :NH3+ -163:sc= -0.0255 (180deg=-0.351) USER MOD Single : A 212 THR OG1 : rot 180:sc= 0 USER MOD Single : A 213 SER OG : rot 160:sc= 0.0395 USER MOD Single : A 221 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 177 23.715 6.178 -23.120 1.00 0.00 N ATOM 2 CA GLY A 177 23.024 6.356 -24.428 1.00 0.00 C ATOM 3 C GLY A 177 22.074 7.546 -24.344 1.00 0.00 C ATOM 4 O GLY A 177 20.982 7.522 -24.911 1.00 0.00 O ATOM 0 HA2 GLY A 177 23.756 6.517 -25.219 1.00 0.00 H new ATOM 0 HA3 GLY A 177 22.471 5.453 -24.685 1.00 0.00 H new ATOM 10 N SER A 178 22.494 8.582 -23.626 1.00 0.00 N ATOM 11 CA SER A 178 21.670 9.774 -23.468 1.00 0.00 C ATOM 12 C SER A 178 22.511 10.952 -22.976 1.00 0.00 C ATOM 13 O SER A 178 22.170 11.600 -21.985 1.00 0.00 O ATOM 14 CB SER A 178 20.541 9.484 -22.477 1.00 0.00 C ATOM 15 OG SER A 178 19.486 10.414 -22.679 1.00 0.00 O ATOM 0 H SER A 178 23.394 8.621 -23.147 1.00 0.00 H new ATOM 0 HA SER A 178 21.246 10.040 -24.436 1.00 0.00 H new ATOM 0 HB2 SER A 178 20.175 8.466 -22.613 1.00 0.00 H new ATOM 0 HB3 SER A 178 20.912 9.555 -21.455 1.00 0.00 H new ATOM 0 HG SER A 178 19.463 11.050 -21.933 1.00 0.00 H new ATOM 21 N PRO A 179 23.598 11.234 -23.647 1.00 0.00 N ATOM 22 CA PRO A 179 24.514 12.357 -23.277 1.00 0.00 C ATOM 23 C PRO A 179 23.872 13.727 -23.506 1.00 0.00 C ATOM 24 O PRO A 179 24.351 14.739 -22.992 1.00 0.00 O ATOM 25 CB PRO A 179 25.730 12.146 -24.195 1.00 0.00 C ATOM 26 CG PRO A 179 25.185 11.419 -25.381 1.00 0.00 C ATOM 27 CD PRO A 179 24.077 10.515 -24.841 1.00 0.00 C ATOM 0 HA PRO A 179 24.771 12.349 -22.218 1.00 0.00 H new ATOM 0 HB2 PRO A 179 26.178 13.097 -24.484 1.00 0.00 H new ATOM 0 HB3 PRO A 179 26.507 11.566 -23.697 1.00 0.00 H new ATOM 0 HG2 PRO A 179 24.794 12.117 -26.122 1.00 0.00 H new ATOM 0 HG3 PRO A 179 25.962 10.834 -25.873 1.00 0.00 H new ATOM 0 HD2 PRO A 179 23.281 10.376 -25.572 1.00 0.00 H new ATOM 0 HD3 PRO A 179 24.455 9.524 -24.588 1.00 0.00 H new ATOM 35 N ASN A 180 22.790 13.756 -24.283 1.00 0.00 N ATOM 36 CA ASN A 180 22.099 15.020 -24.573 1.00 0.00 C ATOM 37 C ASN A 180 20.978 15.266 -23.568 1.00 0.00 C ATOM 38 O ASN A 180 20.224 16.231 -23.690 1.00 0.00 O ATOM 39 CB ASN A 180 21.516 15.000 -25.992 1.00 0.00 C ATOM 40 CG ASN A 180 20.565 13.818 -26.151 1.00 0.00 C ATOM 41 OD1 ASN A 180 20.251 13.137 -25.176 1.00 0.00 O ATOM 42 ND2 ASN A 180 20.083 13.536 -27.330 1.00 0.00 N ATOM 0 H ASN A 180 22.374 12.933 -24.720 1.00 0.00 H new ATOM 0 HA ASN A 180 22.829 15.826 -24.495 1.00 0.00 H new ATOM 0 HB2 ASN A 180 20.986 15.932 -26.189 1.00 0.00 H new ATOM 0 HB3 ASN A 180 22.321 14.930 -26.723 1.00 0.00 H new ATOM 0 HD21 ASN A 180 19.444 12.749 -27.445 1.00 0.00 H new ATOM 0 HD22 ASN A 180 20.345 14.102 -28.137 1.00 0.00 H new ATOM 49 N SER A 181 20.877 14.394 -22.570 1.00 0.00 N ATOM 50 CA SER A 181 19.842 14.537 -21.547 1.00 0.00 C ATOM 51 C SER A 181 20.245 13.805 -20.269 1.00 0.00 C ATOM 52 O SER A 181 21.127 12.946 -20.287 1.00 0.00 O ATOM 53 CB SER A 181 18.518 13.971 -22.063 1.00 0.00 C ATOM 54 OG SER A 181 18.637 12.562 -22.205 1.00 0.00 O ATOM 0 H SER A 181 21.491 13.589 -22.446 1.00 0.00 H new ATOM 0 HA SER A 181 19.723 15.597 -21.323 1.00 0.00 H new ATOM 0 HB2 SER A 181 17.711 14.212 -21.371 1.00 0.00 H new ATOM 0 HB3 SER A 181 18.263 14.425 -23.021 1.00 0.00 H new ATOM 0 HG SER A 181 19.190 12.358 -22.988 1.00 0.00 H new ATOM 60 N SER A 182 19.596 14.153 -19.163 1.00 0.00 N ATOM 61 CA SER A 182 19.894 13.522 -17.881 1.00 0.00 C ATOM 62 C SER A 182 21.401 13.445 -17.652 1.00 0.00 C ATOM 63 O SER A 182 21.991 12.366 -17.703 1.00 0.00 O ATOM 64 CB SER A 182 19.297 12.115 -17.839 1.00 0.00 C ATOM 65 OG SER A 182 17.912 12.187 -18.148 1.00 0.00 O ATOM 0 H SER A 182 18.865 14.863 -19.127 1.00 0.00 H new ATOM 0 HA SER A 182 19.451 14.129 -17.091 1.00 0.00 H new ATOM 0 HB2 SER A 182 19.808 11.468 -18.552 1.00 0.00 H new ATOM 0 HB3 SER A 182 19.439 11.676 -16.852 1.00 0.00 H new ATOM 0 HG SER A 182 17.524 11.287 -18.124 1.00 0.00 H new ATOM 71 N PRO A 183 22.026 14.567 -17.402 1.00 0.00 N ATOM 72 CA PRO A 183 23.500 14.634 -17.158 1.00 0.00 C ATOM 73 C PRO A 183 23.930 13.706 -16.015 1.00 0.00 C ATOM 74 O PRO A 183 23.420 13.813 -14.900 1.00 0.00 O ATOM 75 CB PRO A 183 23.736 16.120 -16.800 1.00 0.00 C ATOM 76 CG PRO A 183 22.577 16.854 -17.396 1.00 0.00 C ATOM 77 CD PRO A 183 21.394 15.892 -17.328 1.00 0.00 C ATOM 0 HA PRO A 183 24.084 14.305 -18.018 1.00 0.00 H new ATOM 0 HB2 PRO A 183 23.780 16.263 -15.720 1.00 0.00 H new ATOM 0 HB3 PRO A 183 24.681 16.478 -17.208 1.00 0.00 H new ATOM 0 HG2 PRO A 183 22.368 17.770 -16.843 1.00 0.00 H new ATOM 0 HG3 PRO A 183 22.786 17.144 -18.426 1.00 0.00 H new ATOM 0 HD2 PRO A 183 20.828 16.016 -16.405 1.00 0.00 H new ATOM 0 HD3 PRO A 183 20.699 16.052 -18.152 1.00 0.00 H new ATOM 85 N ALA A 184 24.874 12.805 -16.293 1.00 0.00 N ATOM 86 CA ALA A 184 25.355 11.879 -15.251 1.00 0.00 C ATOM 87 C ALA A 184 26.544 11.072 -15.762 1.00 0.00 C ATOM 88 O ALA A 184 26.895 10.037 -15.195 1.00 0.00 O ATOM 89 CB ALA A 184 24.236 10.917 -14.811 1.00 0.00 C ATOM 0 H ALA A 184 25.315 12.693 -17.206 1.00 0.00 H new ATOM 0 HA ALA A 184 25.665 12.476 -14.393 1.00 0.00 H new ATOM 0 HB1 ALA A 184 24.616 10.244 -14.042 1.00 0.00 H new ATOM 0 HB2 ALA A 184 23.400 11.490 -14.411 1.00 0.00 H new ATOM 0 HB3 ALA A 184 23.899 10.334 -15.668 1.00 0.00 H new ATOM 95 N SER A 185 27.157 11.553 -16.839 1.00 0.00 N ATOM 96 CA SER A 185 28.306 10.871 -17.425 1.00 0.00 C ATOM 97 C SER A 185 29.582 11.222 -16.665 1.00 0.00 C ATOM 98 O SER A 185 30.644 10.651 -16.918 1.00 0.00 O ATOM 99 CB SER A 185 28.465 11.280 -18.890 1.00 0.00 C ATOM 100 OG SER A 185 28.854 12.645 -18.955 1.00 0.00 O ATOM 0 H SER A 185 26.879 12.408 -17.322 1.00 0.00 H new ATOM 0 HA SER A 185 28.136 9.796 -17.360 1.00 0.00 H new ATOM 0 HB2 SER A 185 29.213 10.653 -19.376 1.00 0.00 H new ATOM 0 HB3 SER A 185 27.527 11.131 -19.425 1.00 0.00 H new ATOM 0 HG SER A 185 28.959 12.911 -19.892 1.00 0.00 H new ATOM 106 N GLY A 186 29.470 12.165 -15.735 1.00 0.00 N ATOM 107 CA GLY A 186 30.627 12.586 -14.945 1.00 0.00 C ATOM 108 C GLY A 186 30.272 13.752 -14.027 1.00 0.00 C ATOM 109 O GLY A 186 30.594 13.737 -12.840 1.00 0.00 O ATOM 0 H GLY A 186 28.601 12.649 -15.510 1.00 0.00 H new ATOM 0 HA2 GLY A 186 30.989 11.748 -14.350 1.00 0.00 H new ATOM 0 HA3 GLY A 186 31.439 12.878 -15.611 1.00 0.00 H new ATOM 113 N PRO A 187 29.622 14.757 -14.556 1.00 0.00 N ATOM 114 CA PRO A 187 29.218 15.962 -13.770 1.00 0.00 C ATOM 115 C PRO A 187 28.428 15.599 -12.517 1.00 0.00 C ATOM 116 O PRO A 187 28.568 16.231 -11.471 1.00 0.00 O ATOM 117 CB PRO A 187 28.373 16.778 -14.763 1.00 0.00 C ATOM 118 CG PRO A 187 28.847 16.342 -16.112 1.00 0.00 C ATOM 119 CD PRO A 187 29.202 14.863 -15.963 1.00 0.00 C ATOM 0 HA PRO A 187 30.077 16.516 -13.393 1.00 0.00 H new ATOM 0 HB2 PRO A 187 27.309 16.580 -14.634 1.00 0.00 H new ATOM 0 HB3 PRO A 187 28.517 17.849 -14.619 1.00 0.00 H new ATOM 0 HG2 PRO A 187 28.072 16.485 -16.865 1.00 0.00 H new ATOM 0 HG3 PRO A 187 29.713 16.923 -16.430 1.00 0.00 H new ATOM 0 HD2 PRO A 187 28.348 14.221 -16.178 1.00 0.00 H new ATOM 0 HD3 PRO A 187 30.001 14.570 -16.645 1.00 0.00 H new ATOM 127 N LEU A 188 27.618 14.562 -12.637 1.00 0.00 N ATOM 128 CA LEU A 188 26.808 14.074 -11.514 1.00 0.00 C ATOM 129 C LEU A 188 27.016 12.560 -11.348 1.00 0.00 C ATOM 130 O LEU A 188 26.283 11.767 -11.940 1.00 0.00 O ATOM 131 CB LEU A 188 25.298 14.356 -11.756 1.00 0.00 C ATOM 132 CG LEU A 188 24.936 15.822 -11.386 1.00 0.00 C ATOM 133 CD1 LEU A 188 25.183 16.777 -12.566 1.00 0.00 C ATOM 134 CD2 LEU A 188 23.454 15.898 -10.991 1.00 0.00 C ATOM 0 H LEU A 188 27.497 14.034 -13.501 1.00 0.00 H new ATOM 0 HA LEU A 188 27.123 14.597 -10.611 1.00 0.00 H new ATOM 0 HB2 LEU A 188 25.053 14.171 -12.802 1.00 0.00 H new ATOM 0 HB3 LEU A 188 24.697 13.668 -11.161 1.00 0.00 H new ATOM 0 HG LEU A 188 25.572 16.125 -10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 188 24.920 17.793 -12.273 1.00 0.00 H new ATOM 0 HD12 LEU A 188 26.235 16.742 -12.848 1.00 0.00 H new ATOM 0 HD13 LEU A 188 24.569 16.474 -13.414 1.00 0.00 H new ATOM 0 HD21 LEU A 188 23.199 16.925 -10.731 1.00 0.00 H new ATOM 0 HD22 LEU A 188 22.837 15.571 -11.828 1.00 0.00 H new ATOM 0 HD23 LEU A 188 23.273 15.251 -10.133 1.00 0.00 H new ATOM 146 N PRO A 189 27.975 12.141 -10.548 1.00 0.00 N ATOM 147 CA PRO A 189 28.233 10.688 -10.306 1.00 0.00 C ATOM 148 C PRO A 189 27.035 10.010 -9.637 1.00 0.00 C ATOM 149 O PRO A 189 26.301 10.641 -8.878 1.00 0.00 O ATOM 150 CB PRO A 189 29.477 10.667 -9.390 1.00 0.00 C ATOM 151 CG PRO A 189 30.080 12.033 -9.502 1.00 0.00 C ATOM 152 CD PRO A 189 28.923 12.984 -9.801 1.00 0.00 C ATOM 0 HA PRO A 189 28.393 10.138 -11.233 1.00 0.00 H new ATOM 0 HB2 PRO A 189 29.202 10.443 -8.359 1.00 0.00 H new ATOM 0 HB3 PRO A 189 30.183 9.899 -9.705 1.00 0.00 H new ATOM 0 HG2 PRO A 189 30.585 12.313 -8.578 1.00 0.00 H new ATOM 0 HG3 PRO A 189 30.826 12.066 -10.296 1.00 0.00 H new ATOM 0 HD2 PRO A 189 28.478 13.376 -8.886 1.00 0.00 H new ATOM 0 HD3 PRO A 189 29.249 13.841 -10.390 1.00 0.00 H new ATOM 160 N GLU A 190 26.847 8.725 -9.921 1.00 0.00 N ATOM 161 CA GLU A 190 25.728 7.989 -9.325 1.00 0.00 C ATOM 162 C GLU A 190 25.862 8.003 -7.800 1.00 0.00 C ATOM 163 O GLU A 190 26.863 7.529 -7.261 1.00 0.00 O ATOM 164 CB GLU A 190 25.692 6.534 -9.824 1.00 0.00 C ATOM 165 CG GLU A 190 24.447 5.837 -9.272 1.00 0.00 C ATOM 166 CD GLU A 190 24.365 4.413 -9.811 1.00 0.00 C ATOM 167 OE1 GLU A 190 25.084 4.116 -10.752 1.00 0.00 O ATOM 168 OE2 GLU A 190 23.585 3.641 -9.278 1.00 0.00 O ATOM 0 H GLU A 190 27.439 8.178 -10.546 1.00 0.00 H new ATOM 0 HA GLU A 190 24.800 8.476 -9.623 1.00 0.00 H new ATOM 0 HB2 GLU A 190 25.681 6.512 -10.914 1.00 0.00 H new ATOM 0 HB3 GLU A 190 26.590 6.006 -9.503 1.00 0.00 H new ATOM 0 HG2 GLU A 190 24.482 5.821 -8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 190 23.553 6.394 -9.554 1.00 0.00 H new ATOM 175 N GLY A 191 24.863 8.562 -7.105 1.00 0.00 N ATOM 176 CA GLY A 191 24.902 8.642 -5.636 1.00 0.00 C ATOM 177 C GLY A 191 24.769 10.091 -5.185 1.00 0.00 C ATOM 178 O GLY A 191 24.915 10.403 -4.003 1.00 0.00 O ATOM 0 H GLY A 191 24.026 8.962 -7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 191 24.095 8.045 -5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 191 25.838 8.223 -5.266 1.00 0.00 H new ATOM 182 N TRP A 192 24.486 10.966 -6.145 1.00 0.00 N ATOM 183 CA TRP A 192 24.337 12.387 -5.874 1.00 0.00 C ATOM 184 C TRP A 192 23.518 13.047 -6.976 1.00 0.00 C ATOM 185 O TRP A 192 24.073 13.649 -7.895 1.00 0.00 O ATOM 186 CB TRP A 192 25.713 13.051 -5.799 1.00 0.00 C ATOM 187 CG TRP A 192 26.435 12.584 -4.577 1.00 0.00 C ATOM 188 CD1 TRP A 192 27.461 11.703 -4.566 1.00 0.00 C ATOM 189 CD2 TRP A 192 26.205 12.959 -3.190 1.00 0.00 C ATOM 190 NE1 TRP A 192 27.878 11.518 -3.259 1.00 0.00 N ATOM 191 CE2 TRP A 192 27.132 12.272 -2.375 1.00 0.00 C ATOM 192 CE3 TRP A 192 25.288 13.823 -2.570 1.00 0.00 C ATOM 193 CZ2 TRP A 192 27.149 12.439 -0.988 1.00 0.00 C ATOM 194 CZ3 TRP A 192 25.301 13.993 -1.177 1.00 0.00 C ATOM 195 CH2 TRP A 192 26.231 13.303 -0.387 1.00 0.00 C ATOM 0 H TRP A 192 24.355 10.711 -7.124 1.00 0.00 H new ATOM 0 HA TRP A 192 23.823 12.509 -4.921 1.00 0.00 H new ATOM 0 HB2 TRP A 192 26.293 12.809 -6.690 1.00 0.00 H new ATOM 0 HB3 TRP A 192 25.603 14.135 -5.775 1.00 0.00 H new ATOM 0 HD1 TRP A 192 27.886 11.222 -5.435 1.00 0.00 H new ATOM 0 HE1 TRP A 192 28.642 10.901 -2.983 1.00 0.00 H new ATOM 0 HE3 TRP A 192 24.568 14.360 -3.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 27.867 11.904 -0.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 24.590 14.659 -0.711 1.00 0.00 H new ATOM 0 HH2 TRP A 192 26.238 13.439 0.684 1.00 0.00 H new ATOM 206 N GLU A 193 22.196 12.929 -6.875 1.00 0.00 N ATOM 207 CA GLU A 193 21.290 13.522 -7.875 1.00 0.00 C ATOM 208 C GLU A 193 20.416 14.598 -7.228 1.00 0.00 C ATOM 209 O GLU A 193 19.699 14.332 -6.262 1.00 0.00 O ATOM 210 CB GLU A 193 20.401 12.437 -8.514 1.00 0.00 C ATOM 211 CG GLU A 193 19.519 13.061 -9.597 1.00 0.00 C ATOM 212 CD GLU A 193 18.678 11.982 -10.269 1.00 0.00 C ATOM 213 OE1 GLU A 193 18.635 10.881 -9.746 1.00 0.00 O ATOM 214 OE2 GLU A 193 18.090 12.272 -11.299 1.00 0.00 O ATOM 0 H GLU A 193 21.724 12.433 -6.119 1.00 0.00 H new ATOM 0 HA GLU A 193 21.897 13.980 -8.656 1.00 0.00 H new ATOM 0 HB2 GLU A 193 21.023 11.652 -8.946 1.00 0.00 H new ATOM 0 HB3 GLU A 193 19.779 11.968 -7.751 1.00 0.00 H new ATOM 0 HG2 GLU A 193 18.870 13.819 -9.158 1.00 0.00 H new ATOM 0 HG3 GLU A 193 20.140 13.564 -10.338 1.00 0.00 H new ATOM 221 N GLN A 194 20.489 15.821 -7.758 1.00 0.00 N ATOM 222 CA GLN A 194 19.697 16.929 -7.209 1.00 0.00 C ATOM 223 C GLN A 194 18.207 16.696 -7.428 1.00 0.00 C ATOM 224 O GLN A 194 17.798 16.154 -8.454 1.00 0.00 O ATOM 225 CB GLN A 194 20.112 18.273 -7.843 1.00 0.00 C ATOM 226 CG GLN A 194 19.484 18.462 -9.237 1.00 0.00 C ATOM 227 CD GLN A 194 20.090 19.686 -9.914 1.00 0.00 C ATOM 228 OE1 GLN A 194 20.706 20.583 -9.193 1.00 0.00 O flip ATOM 229 NE2 GLN A 194 19.997 19.830 -11.134 1.00 0.00 N flip ATOM 0 H GLN A 194 21.077 16.069 -8.553 1.00 0.00 H new ATOM 0 HA GLN A 194 19.893 16.971 -6.137 1.00 0.00 H new ATOM 0 HB2 GLN A 194 19.807 19.092 -7.192 1.00 0.00 H new ATOM 0 HB3 GLN A 194 21.198 18.318 -7.924 1.00 0.00 H new ATOM 0 HG2 GLN A 194 19.656 17.575 -9.847 1.00 0.00 H new ATOM 0 HG3 GLN A 194 18.404 18.582 -9.146 1.00 0.00 H new ATOM 0 HE21 GLN A 194 19.515 19.128 -11.695 1.00 0.00 H new ATOM 0 HE22 GLN A 194 20.402 20.652 -11.583 1.00 0.00 H new ATOM 238 N ALA A 195 17.397 17.127 -6.465 1.00 0.00 N ATOM 239 CA ALA A 195 15.950 16.970 -6.591 1.00 0.00 C ATOM 240 C ALA A 195 15.205 17.800 -5.549 1.00 0.00 C ATOM 241 O ALA A 195 15.754 18.148 -4.503 1.00 0.00 O ATOM 242 CB ALA A 195 15.557 15.497 -6.461 1.00 0.00 C ATOM 0 H ALA A 195 17.709 17.579 -5.605 1.00 0.00 H new ATOM 0 HA ALA A 195 15.666 17.331 -7.580 1.00 0.00 H new ATOM 0 HB1 ALA A 195 14.476 15.399 -6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 195 16.045 14.920 -7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 195 15.870 15.122 -5.487 1.00 0.00 H new ATOM 248 N ILE A 196 13.952 18.124 -5.861 1.00 0.00 N ATOM 249 CA ILE A 196 13.110 18.930 -4.975 1.00 0.00 C ATOM 250 C ILE A 196 12.294 18.039 -4.016 1.00 0.00 C ATOM 251 O ILE A 196 11.748 17.015 -4.427 1.00 0.00 O ATOM 252 CB ILE A 196 12.163 19.825 -5.835 1.00 0.00 C ATOM 253 CG1 ILE A 196 10.758 19.207 -6.016 1.00 0.00 C ATOM 254 CG2 ILE A 196 12.760 20.046 -7.236 1.00 0.00 C ATOM 255 CD1 ILE A 196 10.816 17.849 -6.745 1.00 0.00 C ATOM 0 H ILE A 196 13.494 17.839 -6.726 1.00 0.00 H new ATOM 0 HA ILE A 196 13.751 19.565 -4.364 1.00 0.00 H new ATOM 0 HB ILE A 196 12.066 20.766 -5.294 1.00 0.00 H new ATOM 0 HG12 ILE A 196 10.291 19.075 -5.040 1.00 0.00 H new ATOM 0 HG13 ILE A 196 10.129 19.895 -6.580 1.00 0.00 H new ATOM 0 HG21 ILE A 196 12.088 20.672 -7.823 1.00 0.00 H new ATOM 0 HG22 ILE A 196 13.728 20.539 -7.145 1.00 0.00 H new ATOM 0 HG23 ILE A 196 12.887 19.084 -7.733 1.00 0.00 H new ATOM 0 HD11 ILE A 196 9.807 17.450 -6.851 1.00 0.00 H new ATOM 0 HD12 ILE A 196 11.259 17.984 -7.732 1.00 0.00 H new ATOM 0 HD13 ILE A 196 11.423 17.152 -6.168 1.00 0.00 H new ATOM 267 N THR A 197 12.182 18.453 -2.745 1.00 0.00 N ATOM 268 CA THR A 197 11.398 17.702 -1.771 1.00 0.00 C ATOM 269 C THR A 197 9.912 18.029 -1.995 1.00 0.00 C ATOM 270 O THR A 197 9.603 18.936 -2.768 1.00 0.00 O ATOM 271 CB THR A 197 11.887 18.077 -0.349 1.00 0.00 C ATOM 272 OG1 THR A 197 11.810 16.942 0.497 1.00 0.00 O ATOM 273 CG2 THR A 197 11.065 19.226 0.255 1.00 0.00 C ATOM 0 H THR A 197 12.622 19.296 -2.376 1.00 0.00 H new ATOM 0 HA THR A 197 11.524 16.625 -1.887 1.00 0.00 H new ATOM 0 HB THR A 197 12.920 18.414 -0.432 1.00 0.00 H new ATOM 0 HG1 THR A 197 12.121 17.181 1.395 1.00 0.00 H new ATOM 0 HG21 THR A 197 11.441 19.457 1.252 1.00 0.00 H new ATOM 0 HG22 THR A 197 11.152 20.108 -0.379 1.00 0.00 H new ATOM 0 HG23 THR A 197 10.018 18.929 0.322 1.00 0.00 H new ATOM 281 N PRO A 198 8.988 17.342 -1.363 1.00 0.00 N ATOM 282 CA PRO A 198 7.533 17.628 -1.554 1.00 0.00 C ATOM 283 C PRO A 198 7.217 19.112 -1.351 1.00 0.00 C ATOM 284 O PRO A 198 6.358 19.674 -2.029 1.00 0.00 O ATOM 285 CB PRO A 198 6.850 16.752 -0.494 1.00 0.00 C ATOM 286 CG PRO A 198 7.804 15.626 -0.266 1.00 0.00 C ATOM 287 CD PRO A 198 9.201 16.231 -0.415 1.00 0.00 C ATOM 0 HA PRO A 198 7.191 17.407 -2.565 1.00 0.00 H new ATOM 0 HB2 PRO A 198 6.668 17.310 0.425 1.00 0.00 H new ATOM 0 HB3 PRO A 198 5.883 16.388 -0.843 1.00 0.00 H new ATOM 0 HG2 PRO A 198 7.669 15.193 0.725 1.00 0.00 H new ATOM 0 HG3 PRO A 198 7.645 14.825 -0.988 1.00 0.00 H new ATOM 0 HD2 PRO A 198 9.590 16.585 0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 198 9.916 15.504 -0.801 1.00 0.00 H new ATOM 295 N GLU A 199 7.927 19.735 -0.419 1.00 0.00 N ATOM 296 CA GLU A 199 7.729 21.160 -0.136 1.00 0.00 C ATOM 297 C GLU A 199 8.170 22.000 -1.338 1.00 0.00 C ATOM 298 O GLU A 199 7.767 23.153 -1.483 1.00 0.00 O ATOM 299 CB GLU A 199 8.534 21.555 1.112 1.00 0.00 C ATOM 300 CG GLU A 199 8.117 22.951 1.583 1.00 0.00 C ATOM 301 CD GLU A 199 6.703 22.907 2.151 1.00 0.00 C ATOM 302 OE1 GLU A 199 6.190 21.814 2.323 1.00 0.00 O ATOM 303 OE2 GLU A 199 6.153 23.966 2.402 1.00 0.00 O ATOM 0 H GLU A 199 8.641 19.284 0.153 1.00 0.00 H new ATOM 0 HA GLU A 199 6.671 21.346 0.049 1.00 0.00 H new ATOM 0 HB2 GLU A 199 8.367 20.829 1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 199 9.600 21.542 0.887 1.00 0.00 H new ATOM 0 HG2 GLU A 199 8.812 23.311 2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 199 8.162 23.653 0.751 1.00 0.00 H new ATOM 310 N GLY A 200 8.999 21.413 -2.206 1.00 0.00 N ATOM 311 CA GLY A 200 9.486 22.124 -3.395 1.00 0.00 C ATOM 312 C GLY A 200 10.858 22.758 -3.133 1.00 0.00 C ATOM 313 O GLY A 200 11.410 23.426 -4.007 1.00 0.00 O ATOM 0 H GLY A 200 9.345 20.458 -2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 200 9.556 21.432 -4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 200 8.772 22.897 -3.678 1.00 0.00 H new ATOM 317 N GLU A 201 11.412 22.544 -1.932 1.00 0.00 N ATOM 318 CA GLU A 201 12.724 23.108 -1.601 1.00 0.00 C ATOM 319 C GLU A 201 13.826 22.270 -2.247 1.00 0.00 C ATOM 320 O GLU A 201 13.935 21.073 -1.983 1.00 0.00 O ATOM 321 CB GLU A 201 12.899 23.116 -0.076 1.00 0.00 C ATOM 322 CG GLU A 201 14.219 23.793 0.305 1.00 0.00 C ATOM 323 CD GLU A 201 14.374 23.812 1.822 1.00 0.00 C ATOM 324 OE1 GLU A 201 13.392 23.568 2.503 1.00 0.00 O ATOM 325 OE2 GLU A 201 15.474 24.069 2.281 1.00 0.00 O ATOM 0 H GLU A 201 10.981 21.995 -1.188 1.00 0.00 H new ATOM 0 HA GLU A 201 12.790 24.128 -1.980 1.00 0.00 H new ATOM 0 HB2 GLU A 201 12.065 23.642 0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 201 12.884 22.094 0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 201 15.055 23.260 -0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 201 14.241 24.811 -0.084 1.00 0.00 H new ATOM 332 N ILE A 202 14.633 22.894 -3.106 1.00 0.00 N ATOM 333 CA ILE A 202 15.705 22.169 -3.786 1.00 0.00 C ATOM 334 C ILE A 202 16.780 21.759 -2.788 1.00 0.00 C ATOM 335 O ILE A 202 17.205 22.541 -1.937 1.00 0.00 O ATOM 336 CB ILE A 202 16.258 23.021 -4.974 1.00 0.00 C ATOM 337 CG1 ILE A 202 16.476 22.141 -6.241 1.00 0.00 C ATOM 338 CG2 ILE A 202 17.589 23.697 -4.603 1.00 0.00 C ATOM 339 CD1 ILE A 202 16.407 23.005 -7.498 1.00 0.00 C ATOM 0 H ILE A 202 14.567 23.884 -3.344 1.00 0.00 H new ATOM 0 HA ILE A 202 15.315 21.247 -4.217 1.00 0.00 H new ATOM 0 HB ILE A 202 15.513 23.787 -5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 202 17.444 21.643 -6.185 1.00 0.00 H new ATOM 0 HG13 ILE A 202 15.718 21.359 -6.285 1.00 0.00 H new ATOM 0 HG21 ILE A 202 17.948 24.282 -5.450 1.00 0.00 H new ATOM 0 HG22 ILE A 202 17.437 24.354 -3.746 1.00 0.00 H new ATOM 0 HG23 ILE A 202 18.326 22.935 -4.350 1.00 0.00 H new ATOM 0 HD11 ILE A 202 16.561 22.380 -8.378 1.00 0.00 H new ATOM 0 HD12 ILE A 202 15.429 23.482 -7.558 1.00 0.00 H new ATOM 0 HD13 ILE A 202 17.182 23.770 -7.457 1.00 0.00 H new ATOM 351 N TYR A 203 17.189 20.500 -2.907 1.00 0.00 N ATOM 352 CA TYR A 203 18.196 19.928 -2.023 1.00 0.00 C ATOM 353 C TYR A 203 18.875 18.753 -2.742 1.00 0.00 C ATOM 354 O TYR A 203 18.432 18.353 -3.819 1.00 0.00 O ATOM 355 CB TYR A 203 17.557 19.530 -0.666 1.00 0.00 C ATOM 356 CG TYR A 203 16.754 18.240 -0.748 1.00 0.00 C ATOM 357 CD1 TYR A 203 15.531 18.189 -1.439 1.00 0.00 C ATOM 358 CD2 TYR A 203 17.227 17.094 -0.094 1.00 0.00 C ATOM 359 CE1 TYR A 203 14.801 16.997 -1.485 1.00 0.00 C ATOM 360 CE2 TYR A 203 16.492 15.907 -0.135 1.00 0.00 C ATOM 361 CZ TYR A 203 15.283 15.853 -0.835 1.00 0.00 C ATOM 362 OH TYR A 203 14.558 14.680 -0.873 1.00 0.00 O ATOM 0 H TYR A 203 16.835 19.853 -3.612 1.00 0.00 H new ATOM 0 HA TYR A 203 18.967 20.662 -1.789 1.00 0.00 H new ATOM 0 HB2 TYR A 203 18.343 19.417 0.081 1.00 0.00 H new ATOM 0 HB3 TYR A 203 16.907 20.336 -0.325 1.00 0.00 H new ATOM 0 HD1 TYR A 203 15.155 19.071 -1.935 1.00 0.00 H new ATOM 0 HD2 TYR A 203 18.163 17.129 0.444 1.00 0.00 H new ATOM 0 HE1 TYR A 203 13.865 16.958 -2.022 1.00 0.00 H new ATOM 0 HE2 TYR A 203 16.859 15.029 0.375 1.00 0.00 H new ATOM 0 HH TYR A 203 15.034 13.985 -0.373 1.00 0.00 H new ATOM 372 N TYR A 204 19.977 18.238 -2.190 1.00 0.00 N ATOM 373 CA TYR A 204 20.729 17.154 -2.847 1.00 0.00 C ATOM 374 C TYR A 204 20.467 15.795 -2.167 1.00 0.00 C ATOM 375 O TYR A 204 20.279 15.735 -0.951 1.00 0.00 O ATOM 376 CB TYR A 204 22.229 17.525 -2.789 1.00 0.00 C ATOM 377 CG TYR A 204 22.613 18.424 -3.961 1.00 0.00 C ATOM 378 CD1 TYR A 204 21.900 19.610 -4.228 1.00 0.00 C ATOM 379 CD2 TYR A 204 23.708 18.079 -4.769 1.00 0.00 C ATOM 380 CE1 TYR A 204 22.284 20.433 -5.293 1.00 0.00 C ATOM 381 CE2 TYR A 204 24.084 18.905 -5.835 1.00 0.00 C ATOM 382 CZ TYR A 204 23.373 20.080 -6.096 1.00 0.00 C ATOM 383 OH TYR A 204 23.747 20.894 -7.146 1.00 0.00 O ATOM 0 H TYR A 204 20.369 18.547 -1.300 1.00 0.00 H new ATOM 0 HA TYR A 204 20.404 17.049 -3.882 1.00 0.00 H new ATOM 0 HB2 TYR A 204 22.446 18.033 -1.849 1.00 0.00 H new ATOM 0 HB3 TYR A 204 22.833 16.618 -2.808 1.00 0.00 H new ATOM 0 HD1 TYR A 204 21.057 19.884 -3.611 1.00 0.00 H new ATOM 0 HD2 TYR A 204 24.262 17.174 -4.568 1.00 0.00 H new ATOM 0 HE1 TYR A 204 21.738 21.343 -5.495 1.00 0.00 H new ATOM 0 HE2 TYR A 204 24.925 18.634 -6.457 1.00 0.00 H new ATOM 0 HH TYR A 204 24.522 20.505 -7.602 1.00 0.00 H new ATOM 393 N ILE A 205 20.427 14.703 -2.965 1.00 0.00 N ATOM 394 CA ILE A 205 20.158 13.359 -2.424 1.00 0.00 C ATOM 395 C ILE A 205 21.389 12.464 -2.500 1.00 0.00 C ATOM 396 O ILE A 205 21.996 12.312 -3.557 1.00 0.00 O ATOM 397 CB ILE A 205 19.047 12.659 -3.231 1.00 0.00 C ATOM 398 CG1 ILE A 205 17.759 13.494 -3.213 1.00 0.00 C ATOM 399 CG2 ILE A 205 18.766 11.292 -2.600 1.00 0.00 C ATOM 400 CD1 ILE A 205 16.784 12.976 -4.272 1.00 0.00 C ATOM 0 H ILE A 205 20.576 14.729 -3.974 1.00 0.00 H new ATOM 0 HA ILE A 205 19.860 13.502 -1.385 1.00 0.00 H new ATOM 0 HB ILE A 205 19.376 12.544 -4.264 1.00 0.00 H new ATOM 0 HG12 ILE A 205 17.297 13.444 -2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 205 17.992 14.542 -3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 205 17.981 10.786 -3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 205 19.673 10.688 -2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 205 18.443 11.427 -1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 205 15.873 13.574 -4.252 1.00 0.00 H new ATOM 0 HD12 ILE A 205 17.244 13.049 -5.257 1.00 0.00 H new ATOM 0 HD13 ILE A 205 16.539 11.935 -4.063 1.00 0.00 H new ATOM 412 N ASN A 206 21.706 11.823 -1.375 1.00 0.00 N ATOM 413 CA ASN A 206 22.831 10.880 -1.317 1.00 0.00 C ATOM 414 C ASN A 206 22.274 9.459 -1.291 1.00 0.00 C ATOM 415 O ASN A 206 21.831 8.985 -0.245 1.00 0.00 O ATOM 416 CB ASN A 206 23.686 11.111 -0.060 1.00 0.00 C ATOM 417 CG ASN A 206 24.975 10.304 -0.164 1.00 0.00 C ATOM 418 OD1 ASN A 206 25.465 10.052 -1.265 1.00 0.00 O ATOM 419 ND2 ASN A 206 25.561 9.881 0.923 1.00 0.00 N ATOM 0 H ASN A 206 21.205 11.936 -0.494 1.00 0.00 H new ATOM 0 HA ASN A 206 23.463 11.033 -2.192 1.00 0.00 H new ATOM 0 HB2 ASN A 206 23.916 12.171 0.046 1.00 0.00 H new ATOM 0 HB3 ASN A 206 23.130 10.815 0.830 1.00 0.00 H new ATOM 0 HD21 ASN A 206 26.425 9.342 0.860 1.00 0.00 H new ATOM 0 HD22 ASN A 206 25.155 10.090 1.835 1.00 0.00 H new ATOM 426 N HIS A 207 22.278 8.779 -2.440 1.00 0.00 N ATOM 427 CA HIS A 207 21.746 7.416 -2.500 1.00 0.00 C ATOM 428 C HIS A 207 22.793 6.413 -2.040 1.00 0.00 C ATOM 429 O HIS A 207 22.667 5.213 -2.282 1.00 0.00 O ATOM 430 CB HIS A 207 21.295 7.074 -3.923 1.00 0.00 C ATOM 431 CG HIS A 207 20.181 7.995 -4.335 1.00 0.00 C ATOM 432 ND1 HIS A 207 18.870 7.800 -3.929 1.00 0.00 N ATOM 433 CD2 HIS A 207 20.165 9.124 -5.119 1.00 0.00 C ATOM 434 CE1 HIS A 207 18.128 8.787 -4.464 1.00 0.00 C ATOM 435 NE2 HIS A 207 18.868 9.621 -5.198 1.00 0.00 N ATOM 0 H HIS A 207 22.636 9.140 -3.324 1.00 0.00 H new ATOM 0 HA HIS A 207 20.885 7.361 -1.834 1.00 0.00 H new ATOM 0 HB2 HIS A 207 22.133 7.169 -4.613 1.00 0.00 H new ATOM 0 HB3 HIS A 207 20.960 6.038 -3.970 1.00 0.00 H new ATOM 0 HD2 HIS A 207 21.028 9.559 -5.601 1.00 0.00 H new ATOM 0 HE1 HIS A 207 17.063 8.892 -4.317 1.00 0.00 H new ATOM 0 HE2 HIS A 207 18.551 10.446 -5.707 1.00 0.00 H new ATOM 443 N LYS A 208 23.824 6.914 -1.365 1.00 0.00 N ATOM 444 CA LYS A 208 24.891 6.053 -0.859 1.00 0.00 C ATOM 445 C LYS A 208 24.517 5.511 0.515 1.00 0.00 C ATOM 446 O LYS A 208 25.137 4.571 1.014 1.00 0.00 O ATOM 447 CB LYS A 208 26.205 6.835 -0.763 1.00 0.00 C ATOM 448 CG LYS A 208 26.730 7.149 -2.169 1.00 0.00 C ATOM 449 CD LYS A 208 28.043 7.928 -2.068 1.00 0.00 C ATOM 450 CE LYS A 208 28.535 8.270 -3.475 1.00 0.00 C ATOM 451 NZ LYS A 208 29.810 9.035 -3.387 1.00 0.00 N ATOM 0 H LYS A 208 23.944 7.905 -1.156 1.00 0.00 H new ATOM 0 HA LYS A 208 25.023 5.221 -1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 208 26.048 7.761 -0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 208 26.944 6.255 -0.211 1.00 0.00 H new ATOM 0 HG2 LYS A 208 26.887 6.224 -2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 208 25.992 7.731 -2.721 1.00 0.00 H new ATOM 0 HD2 LYS A 208 27.895 8.840 -1.490 1.00 0.00 H new ATOM 0 HD3 LYS A 208 28.792 7.335 -1.542 1.00 0.00 H new ATOM 0 HE2 LYS A 208 28.686 7.357 -4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 208 27.783 8.857 -4.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 29.869 9.703 -4.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 29.838 9.560 -2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 30.614 8.376 -3.428 1.00 0.00 H new ATOM 465 N ASN A 209 23.498 6.113 1.125 1.00 0.00 N ATOM 466 CA ASN A 209 23.044 5.690 2.446 1.00 0.00 C ATOM 467 C ASN A 209 21.570 6.040 2.644 1.00 0.00 C ATOM 468 O ASN A 209 21.033 5.898 3.741 1.00 0.00 O ATOM 469 CB ASN A 209 23.886 6.376 3.526 1.00 0.00 C ATOM 470 CG ASN A 209 24.076 7.849 3.177 1.00 0.00 C ATOM 471 OD1 ASN A 209 23.306 8.399 2.278 1.00 0.00 O flip ATOM 472 ND2 ASN A 209 24.948 8.513 3.736 1.00 0.00 N flip ATOM 0 H ASN A 209 22.974 6.892 0.727 1.00 0.00 H new ATOM 0 HA ASN A 209 23.160 4.609 2.525 1.00 0.00 H new ATOM 0 HB2 ASN A 209 23.396 6.283 4.495 1.00 0.00 H new ATOM 0 HB3 ASN A 209 24.856 5.885 3.610 1.00 0.00 H new ATOM 0 HD21 ASN A 209 25.548 8.079 4.438 1.00 0.00 H new ATOM 0 HD22 ASN A 209 25.071 9.497 3.497 1.00 0.00 H new ATOM 479 N LYS A 210 20.927 6.498 1.574 1.00 0.00 N ATOM 480 CA LYS A 210 19.516 6.869 1.642 1.00 0.00 C ATOM 481 C LYS A 210 19.308 7.946 2.701 1.00 0.00 C ATOM 482 O LYS A 210 18.510 7.778 3.623 1.00 0.00 O ATOM 483 CB LYS A 210 18.658 5.646 1.986 1.00 0.00 C ATOM 484 CG LYS A 210 18.941 4.496 1.008 1.00 0.00 C ATOM 485 CD LYS A 210 18.320 4.785 -0.364 1.00 0.00 C ATOM 486 CE LYS A 210 18.489 3.556 -1.260 1.00 0.00 C ATOM 487 NZ LYS A 210 19.940 3.304 -1.484 1.00 0.00 N ATOM 0 H LYS A 210 21.355 6.621 0.656 1.00 0.00 H new ATOM 0 HA LYS A 210 19.215 7.255 0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 210 18.867 5.323 3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 210 17.602 5.913 1.946 1.00 0.00 H new ATOM 0 HG2 LYS A 210 20.017 4.358 0.904 1.00 0.00 H new ATOM 0 HG3 LYS A 210 18.537 3.565 1.407 1.00 0.00 H new ATOM 0 HD2 LYS A 210 17.263 5.028 -0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 210 18.801 5.651 -0.819 1.00 0.00 H new ATOM 0 HE2 LYS A 210 18.025 2.686 -0.795 1.00 0.00 H new ATOM 0 HE3 LYS A 210 17.985 3.715 -2.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 20.060 2.671 -2.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 20.424 4.205 -1.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 20.350 2.859 -0.638 1.00 0.00 H new ATOM 501 N THR A 211 20.032 9.056 2.558 1.00 0.00 N ATOM 502 CA THR A 211 19.928 10.170 3.503 1.00 0.00 C ATOM 503 C THR A 211 19.762 11.483 2.746 1.00 0.00 C ATOM 504 O THR A 211 20.034 11.558 1.548 1.00 0.00 O ATOM 505 CB THR A 211 21.186 10.235 4.374 1.00 0.00 C ATOM 506 OG1 THR A 211 22.298 10.606 3.570 1.00 0.00 O ATOM 507 CG2 THR A 211 21.451 8.866 5.007 1.00 0.00 C ATOM 0 H THR A 211 20.696 9.209 1.799 1.00 0.00 H new ATOM 0 HA THR A 211 19.058 10.011 4.140 1.00 0.00 H new ATOM 0 HB THR A 211 21.040 10.973 5.162 1.00 0.00 H new ATOM 0 HG1 THR A 211 22.561 9.849 3.006 1.00 0.00 H new ATOM 0 HG21 THR A 211 22.347 8.918 5.625 1.00 0.00 H new ATOM 0 HG22 THR A 211 20.600 8.580 5.625 1.00 0.00 H new ATOM 0 HG23 THR A 211 21.595 8.124 4.222 1.00 0.00 H new ATOM 515 N THR A 212 19.304 12.513 3.452 1.00 0.00 N ATOM 516 CA THR A 212 19.090 13.830 2.840 1.00 0.00 C ATOM 517 C THR A 212 20.112 14.834 3.381 1.00 0.00 C ATOM 518 O THR A 212 20.401 14.839 4.578 1.00 0.00 O ATOM 519 CB THR A 212 17.679 14.320 3.174 1.00 0.00 C ATOM 520 OG1 THR A 212 17.585 14.568 4.571 1.00 0.00 O ATOM 521 CG2 THR A 212 16.663 13.250 2.777 1.00 0.00 C ATOM 0 H THR A 212 19.073 12.466 4.444 1.00 0.00 H new ATOM 0 HA THR A 212 19.209 13.744 1.760 1.00 0.00 H new ATOM 0 HB THR A 212 17.472 15.239 2.626 1.00 0.00 H new ATOM 0 HG1 THR A 212 16.683 14.884 4.787 1.00 0.00 H new ATOM 0 HG21 THR A 212 15.657 13.597 3.014 1.00 0.00 H new ATOM 0 HG22 THR A 212 16.737 13.057 1.707 1.00 0.00 H new ATOM 0 HG23 THR A 212 16.869 12.331 3.326 1.00 0.00 H new ATOM 529 N SER A 213 20.651 15.695 2.510 1.00 0.00 N ATOM 530 CA SER A 213 21.631 16.700 2.959 1.00 0.00 C ATOM 531 C SER A 213 21.495 17.987 2.137 1.00 0.00 C ATOM 532 O SER A 213 21.097 17.945 0.971 1.00 0.00 O ATOM 533 CB SER A 213 23.063 16.155 2.847 1.00 0.00 C ATOM 534 OG SER A 213 23.979 17.163 3.253 1.00 0.00 O ATOM 0 H SER A 213 20.435 15.721 1.514 1.00 0.00 H new ATOM 0 HA SER A 213 21.427 16.926 4.006 1.00 0.00 H new ATOM 0 HB2 SER A 213 23.178 15.269 3.472 1.00 0.00 H new ATOM 0 HB3 SER A 213 23.270 15.850 1.821 1.00 0.00 H new ATOM 0 HG SER A 213 24.835 16.750 3.493 1.00 0.00 H new ATOM 540 N TRP A 214 21.812 19.137 2.752 1.00 0.00 N ATOM 541 CA TRP A 214 21.700 20.432 2.060 1.00 0.00 C ATOM 542 C TRP A 214 23.040 20.874 1.479 1.00 0.00 C ATOM 543 O TRP A 214 23.121 21.918 0.831 1.00 0.00 O ATOM 544 CB TRP A 214 21.183 21.519 3.019 1.00 0.00 C ATOM 545 CG TRP A 214 20.090 20.940 3.880 1.00 0.00 C ATOM 546 CD1 TRP A 214 20.286 20.298 5.065 1.00 0.00 C ATOM 547 CD2 TRP A 214 18.640 20.920 3.651 1.00 0.00 C ATOM 548 NE1 TRP A 214 19.064 19.900 5.569 1.00 0.00 N ATOM 549 CE2 TRP A 214 18.022 20.257 4.741 1.00 0.00 C ATOM 550 CE3 TRP A 214 17.801 21.406 2.620 1.00 0.00 C ATOM 551 CZ2 TRP A 214 16.640 20.083 4.810 1.00 0.00 C ATOM 552 CZ3 TRP A 214 16.410 21.228 2.690 1.00 0.00 C ATOM 553 CH2 TRP A 214 15.832 20.570 3.782 1.00 0.00 C ATOM 0 H TRP A 214 22.144 19.198 3.715 1.00 0.00 H new ATOM 0 HA TRP A 214 20.991 20.298 1.243 1.00 0.00 H new ATOM 0 HB2 TRP A 214 21.997 21.888 3.643 1.00 0.00 H new ATOM 0 HB3 TRP A 214 20.804 22.370 2.453 1.00 0.00 H new ATOM 0 HD1 TRP A 214 21.243 20.128 5.535 1.00 0.00 H new ATOM 0 HE1 TRP A 214 18.946 19.400 6.450 1.00 0.00 H new ATOM 0 HE3 TRP A 214 18.234 21.918 1.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 214 16.198 19.574 5.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 214 15.781 21.602 1.895 1.00 0.00 H new ATOM 0 HH2 TRP A 214 14.761 20.439 3.829 1.00 0.00 H new ATOM 564 N LEU A 215 24.093 20.093 1.723 1.00 0.00 N ATOM 565 CA LEU A 215 25.430 20.446 1.218 1.00 0.00 C ATOM 566 C LEU A 215 25.338 21.045 -0.190 1.00 0.00 C ATOM 567 O LEU A 215 24.528 20.606 -1.007 1.00 0.00 O ATOM 568 CB LEU A 215 26.391 19.226 1.245 1.00 0.00 C ATOM 569 CG LEU A 215 25.978 18.102 0.243 1.00 0.00 C ATOM 570 CD1 LEU A 215 26.553 18.352 -1.177 1.00 0.00 C ATOM 571 CD2 LEU A 215 26.515 16.747 0.758 1.00 0.00 C ATOM 0 H LEU A 215 24.054 19.225 2.257 1.00 0.00 H new ATOM 0 HA LEU A 215 25.847 21.202 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 215 27.401 19.561 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 215 26.418 18.814 2.254 1.00 0.00 H new ATOM 0 HG LEU A 215 24.890 18.097 0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 215 26.242 17.547 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 215 26.180 19.303 -1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 215 27.642 18.382 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 215 26.231 15.956 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 215 27.602 16.791 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 215 26.091 16.537 1.740 1.00 0.00 H new ATOM 583 N ASP A 216 26.137 22.085 -0.452 1.00 0.00 N ATOM 584 CA ASP A 216 26.102 22.756 -1.750 1.00 0.00 C ATOM 585 C ASP A 216 26.656 21.833 -2.844 1.00 0.00 C ATOM 586 O ASP A 216 27.106 20.728 -2.552 1.00 0.00 O ATOM 587 CB ASP A 216 26.908 24.076 -1.690 1.00 0.00 C ATOM 588 CG ASP A 216 27.063 24.541 -0.243 1.00 0.00 C ATOM 589 OD1 ASP A 216 26.051 24.754 0.403 1.00 0.00 O ATOM 590 OD2 ASP A 216 28.194 24.675 0.195 1.00 0.00 O ATOM 0 H ASP A 216 26.807 22.475 0.211 1.00 0.00 H new ATOM 0 HA ASP A 216 25.067 22.993 -1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 216 27.891 23.930 -2.139 1.00 0.00 H new ATOM 0 HB3 ASP A 216 26.402 24.845 -2.273 1.00 0.00 H new ATOM 595 N PRO A 217 26.627 22.253 -4.091 1.00 0.00 N ATOM 596 CA PRO A 217 27.134 21.418 -5.224 1.00 0.00 C ATOM 597 C PRO A 217 28.625 21.106 -5.082 1.00 0.00 C ATOM 598 O PRO A 217 29.400 21.937 -4.609 1.00 0.00 O ATOM 599 CB PRO A 217 26.855 22.276 -6.478 1.00 0.00 C ATOM 600 CG PRO A 217 25.851 23.299 -6.044 1.00 0.00 C ATOM 601 CD PRO A 217 26.127 23.555 -4.566 1.00 0.00 C ATOM 0 HA PRO A 217 26.647 20.444 -5.265 1.00 0.00 H new ATOM 0 HB2 PRO A 217 27.767 22.750 -6.841 1.00 0.00 H new ATOM 0 HB3 PRO A 217 26.467 21.666 -7.293 1.00 0.00 H new ATOM 0 HG2 PRO A 217 25.952 24.216 -6.625 1.00 0.00 H new ATOM 0 HG3 PRO A 217 24.834 22.937 -6.194 1.00 0.00 H new ATOM 0 HD2 PRO A 217 26.863 24.346 -4.424 1.00 0.00 H new ATOM 0 HD3 PRO A 217 25.226 23.859 -4.034 1.00 0.00 H new ATOM 609 N ARG A 218 29.018 19.903 -5.501 1.00 0.00 N ATOM 610 CA ARG A 218 30.426 19.490 -5.421 1.00 0.00 C ATOM 611 C ARG A 218 31.188 19.866 -6.690 1.00 0.00 C ATOM 612 O ARG A 218 32.201 19.248 -7.013 1.00 0.00 O ATOM 613 CB ARG A 218 30.555 17.969 -5.156 1.00 0.00 C ATOM 614 CG ARG A 218 30.203 17.100 -6.410 1.00 0.00 C ATOM 615 CD ARG A 218 31.412 16.258 -6.841 1.00 0.00 C ATOM 616 NE ARG A 218 31.737 15.274 -5.814 1.00 0.00 N ATOM 617 CZ ARG A 218 31.123 14.094 -5.766 1.00 0.00 C ATOM 618 NH1 ARG A 218 30.235 13.780 -6.668 1.00 0.00 N ATOM 619 NH2 ARG A 218 31.415 13.247 -4.817 1.00 0.00 N ATOM 0 H ARG A 218 28.392 19.201 -5.896 1.00 0.00 H new ATOM 0 HA ARG A 218 30.868 20.025 -4.580 1.00 0.00 H new ATOM 0 HB2 ARG A 218 31.574 17.746 -4.840 1.00 0.00 H new ATOM 0 HB3 ARG A 218 29.898 17.692 -4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 218 29.361 16.447 -6.182 1.00 0.00 H new ATOM 0 HG3 ARG A 218 29.892 17.746 -7.231 1.00 0.00 H new ATOM 0 HD2 ARG A 218 31.195 15.753 -7.782 1.00 0.00 H new ATOM 0 HD3 ARG A 218 32.270 16.906 -7.018 1.00 0.00 H new ATOM 0 HE ARG A 218 32.450 15.495 -5.118 1.00 0.00 H new ATOM 0 HH11 ARG A 218 30.009 14.439 -7.413 1.00 0.00 H new ATOM 0 HH12 ARG A 218 29.766 12.875 -6.629 1.00 0.00 H new ATOM 0 HH21 ARG A 218 32.113 13.490 -4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 218 30.945 12.342 -4.779 1.00 0.00 H new ATOM 633 N LEU A 219 30.709 20.892 -7.404 1.00 0.00 N ATOM 634 CA LEU A 219 31.384 21.332 -8.634 1.00 0.00 C ATOM 635 C LEU A 219 31.347 22.863 -8.781 1.00 0.00 C ATOM 636 O LEU A 219 32.396 23.490 -8.931 1.00 0.00 O ATOM 637 CB LEU A 219 30.761 20.625 -9.862 1.00 0.00 C ATOM 638 CG LEU A 219 31.445 21.070 -11.174 1.00 0.00 C ATOM 639 CD1 LEU A 219 32.888 20.533 -11.248 1.00 0.00 C ATOM 640 CD2 LEU A 219 30.640 20.524 -12.361 1.00 0.00 C ATOM 0 H LEU A 219 29.874 21.425 -7.159 1.00 0.00 H new ATOM 0 HA LEU A 219 32.435 21.048 -8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 219 30.855 19.545 -9.749 1.00 0.00 H new ATOM 0 HB3 LEU A 219 29.695 20.849 -9.911 1.00 0.00 H new ATOM 0 HG LEU A 219 31.479 22.159 -11.204 1.00 0.00 H new ATOM 0 HD11 LEU A 219 33.350 20.859 -12.180 1.00 0.00 H new ATOM 0 HD12 LEU A 219 33.463 20.916 -10.405 1.00 0.00 H new ATOM 0 HD13 LEU A 219 32.873 19.444 -11.212 1.00 0.00 H new ATOM 0 HD21 LEU A 219 31.113 20.832 -13.294 1.00 0.00 H new ATOM 0 HD22 LEU A 219 30.611 19.436 -12.311 1.00 0.00 H new ATOM 0 HD23 LEU A 219 29.624 20.917 -12.323 1.00 0.00 H new ATOM 652 N GLU A 220 30.151 23.475 -8.727 1.00 0.00 N ATOM 653 CA GLU A 220 30.032 24.934 -8.847 1.00 0.00 C ATOM 654 C GLU A 220 29.612 25.531 -7.510 1.00 0.00 C ATOM 655 O GLU A 220 28.510 26.060 -7.369 1.00 0.00 O ATOM 656 CB GLU A 220 29.001 25.304 -9.921 1.00 0.00 C ATOM 657 CG GLU A 220 29.533 24.954 -11.320 1.00 0.00 C ATOM 658 CD GLU A 220 30.751 25.809 -11.653 1.00 0.00 C ATOM 659 OE1 GLU A 220 30.900 26.857 -11.045 1.00 0.00 O ATOM 660 OE2 GLU A 220 31.520 25.402 -12.508 1.00 0.00 O ATOM 0 H GLU A 220 29.264 22.987 -8.602 1.00 0.00 H new ATOM 0 HA GLU A 220 31.002 25.337 -9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 220 28.068 24.772 -9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 220 28.777 26.369 -9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 220 29.799 23.898 -11.361 1.00 0.00 H new ATOM 0 HG3 GLU A 220 28.753 25.115 -12.064 1.00 0.00 H new ATOM 667 N THR A 221 30.503 25.422 -6.532 1.00 0.00 N ATOM 668 CA THR A 221 30.235 25.937 -5.190 1.00 0.00 C ATOM 669 C THR A 221 29.584 27.334 -5.251 1.00 0.00 C ATOM 670 O THR A 221 30.175 28.272 -5.785 1.00 0.00 O ATOM 671 CB THR A 221 31.555 25.973 -4.370 1.00 0.00 C ATOM 672 OG1 THR A 221 31.262 25.675 -3.012 1.00 0.00 O ATOM 673 CG2 THR A 221 32.265 27.348 -4.440 1.00 0.00 C ATOM 0 H THR A 221 31.417 24.983 -6.640 1.00 0.00 H new ATOM 0 HA THR A 221 29.530 25.271 -4.693 1.00 0.00 H new ATOM 0 HB THR A 221 32.229 25.234 -4.802 1.00 0.00 H new ATOM 0 HG1 THR A 221 32.089 25.694 -2.487 1.00 0.00 H new ATOM 0 HG21 THR A 221 33.181 27.315 -3.849 1.00 0.00 H new ATOM 0 HG22 THR A 221 32.510 27.579 -5.477 1.00 0.00 H new ATOM 0 HG23 THR A 221 31.605 28.119 -4.043 1.00 0.00 H new ATOM 681 N ARG A 222 28.374 27.473 -4.691 1.00 0.00 N ATOM 682 CA ARG A 222 27.680 28.767 -4.685 1.00 0.00 C ATOM 683 C ARG A 222 26.772 28.873 -3.463 1.00 0.00 C ATOM 684 O ARG A 222 26.218 29.939 -3.253 1.00 0.00 O ATOM 685 CB ARG A 222 26.833 28.960 -5.959 1.00 0.00 C ATOM 686 CG ARG A 222 27.744 29.233 -7.160 1.00 0.00 C ATOM 687 CD ARG A 222 26.888 29.423 -8.413 1.00 0.00 C ATOM 688 NE ARG A 222 27.739 29.699 -9.568 1.00 0.00 N ATOM 689 CZ ARG A 222 28.117 30.941 -9.867 1.00 0.00 C ATOM 690 NH1 ARG A 222 27.731 31.938 -9.120 1.00 0.00 N ATOM 691 NH2 ARG A 222 28.879 31.160 -10.904 1.00 0.00 N ATOM 692 OXT ARG A 222 26.648 27.888 -2.753 1.00 0.00 O ATOM 0 H ARG A 222 27.861 26.715 -4.241 1.00 0.00 H new ATOM 0 HA ARG A 222 28.442 29.546 -4.651 1.00 0.00 H new ATOM 0 HB2 ARG A 222 26.232 28.070 -6.144 1.00 0.00 H new ATOM 0 HB3 ARG A 222 26.140 29.790 -5.822 1.00 0.00 H new ATOM 0 HG2 ARG A 222 28.346 30.123 -6.979 1.00 0.00 H new ATOM 0 HG3 ARG A 222 28.436 28.403 -7.301 1.00 0.00 H new ATOM 0 HD2 ARG A 222 26.294 28.528 -8.596 1.00 0.00 H new ATOM 0 HD3 ARG A 222 26.188 30.245 -8.263 1.00 0.00 H new ATOM 0 HE ARG A 222 28.050 28.926 -10.157 1.00 0.00 H new ATOM 0 HH11 ARG A 222 27.140 31.767 -8.307 1.00 0.00 H new ATOM 0 HH12 ARG A 222 28.021 32.889 -9.349 1.00 0.00 H new ATOM 0 HH21 ARG A 222 29.185 30.380 -11.486 1.00 0.00 H new ATOM 0 HH22 ARG A 222 29.168 32.111 -11.133 1.00 0.00 H new TER 706 ARG A 222