USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 325 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 195 ASN : amide:sc= 0.0942 K(o=0.28,f=-1.1!) USER MOD Set 1.2: A 202 THR OG1 : rot 180:sc= 0.181 USER MOD Single : A 191 SER OG : rot 180:sc= 0 USER MOD Single : A 194 ASN : amide:sc= -2.41! C(o=-2.4!,f=-13!) USER MOD Single : A 198 ASN : amide:sc=-0.00273 K(o=-0.0027,f=-1.4!) USER MOD Single : A 203 ASN : amide:sc= -0.138 K(o=-0.14,f=-2.6!) USER MOD Single : A 212 SER OG : rot 180:sc= 0 USER MOD Single : A 213 ASN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 216 SER OG : rot 180:sc= 0 USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 219 THR OG1 : rot 180:sc= 0 USER MOD Single : A 220 SER OG : rot 180:sc= 0 USER MOD Single : A 224 LYS NZ :NH3+ -164:sc= -0.0407 (180deg=-0.414) USER MOD Single : A 225 HIS : no HD1:sc= -8.07! C(o=-8.1!,f=-17!) USER MOD Single : A 229 LYS NZ :NH3+ 150:sc= -0.0155 (180deg=-0.521) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 LYS NZ :NH3+ 169:sc= -8.51! (180deg=-9.14!) USER MOD Single : A 233 GLN : amide:sc= -2.52 K(o=-2.5,f=-5.6!) USER MOD Single : A 235 THR OG1 : rot 31:sc= 0.0312 USER MOD ----------------------------------------------------------------- ATOM 18 N CYS A 189 1.512 0.346 11.351 1.00 0.00 N ATOM 19 CA CYS A 189 2.918 0.739 11.643 1.00 0.00 C ATOM 20 C CYS A 189 3.250 2.016 10.871 1.00 0.00 C ATOM 21 O CYS A 189 3.298 2.022 9.656 1.00 0.00 O ATOM 22 CB CYS A 189 3.864 -0.382 11.207 1.00 0.00 C ATOM 23 SG CYS A 189 3.175 -1.981 11.697 1.00 0.00 S ATOM 0 HA CYS A 189 3.036 0.914 12.712 1.00 0.00 H new ATOM 0 HB2 CYS A 189 4.007 -0.352 10.127 1.00 0.00 H new ATOM 0 HB3 CYS A 189 4.844 -0.242 11.662 1.00 0.00 H new ATOM 28 N ALA A 190 3.475 3.098 11.562 1.00 0.00 N ATOM 29 CA ALA A 190 3.799 4.372 10.863 1.00 0.00 C ATOM 30 C ALA A 190 5.099 4.204 10.074 1.00 0.00 C ATOM 31 O ALA A 190 5.275 4.782 9.020 1.00 0.00 O ATOM 32 CB ALA A 190 3.968 5.492 11.892 1.00 0.00 C ATOM 0 H ALA A 190 3.449 3.155 12.580 1.00 0.00 H new ATOM 0 HA ALA A 190 2.989 4.627 10.180 1.00 0.00 H new ATOM 0 HB1 ALA A 190 4.205 6.424 11.379 1.00 0.00 H new ATOM 0 HB2 ALA A 190 3.042 5.612 12.454 1.00 0.00 H new ATOM 0 HB3 ALA A 190 4.777 5.238 12.576 1.00 0.00 H new ATOM 38 N SER A 191 6.012 3.420 10.575 1.00 0.00 N ATOM 39 CA SER A 191 7.299 3.220 9.852 1.00 0.00 C ATOM 40 C SER A 191 7.025 2.614 8.472 1.00 0.00 C ATOM 41 O SER A 191 7.663 2.958 7.497 1.00 0.00 O ATOM 42 CB SER A 191 8.192 2.274 10.656 1.00 0.00 C ATOM 43 OG SER A 191 8.314 2.761 11.985 1.00 0.00 O ATOM 0 H SER A 191 5.923 2.909 11.453 1.00 0.00 H new ATOM 0 HA SER A 191 7.800 4.181 9.732 1.00 0.00 H new ATOM 0 HB2 SER A 191 7.767 1.270 10.662 1.00 0.00 H new ATOM 0 HB3 SER A 191 9.175 2.201 10.191 1.00 0.00 H new ATOM 0 HG SER A 191 8.884 2.156 12.504 1.00 0.00 H new ATOM 49 N CYS A 192 6.083 1.713 8.380 1.00 0.00 N ATOM 50 CA CYS A 192 5.775 1.089 7.059 1.00 0.00 C ATOM 51 C CYS A 192 4.292 0.718 6.995 1.00 0.00 C ATOM 52 O CYS A 192 3.918 -0.412 7.244 1.00 0.00 O ATOM 53 CB CYS A 192 6.615 -0.175 6.883 1.00 0.00 C ATOM 54 SG CYS A 192 8.183 0.246 6.082 1.00 0.00 S ATOM 0 H CYS A 192 5.515 1.383 9.160 1.00 0.00 H new ATOM 0 HA CYS A 192 6.007 1.800 6.266 1.00 0.00 H new ATOM 0 HB2 CYS A 192 6.803 -0.637 7.852 1.00 0.00 H new ATOM 0 HB3 CYS A 192 6.072 -0.904 6.282 1.00 0.00 H new ATOM 59 N PRO A 193 3.458 1.662 6.664 1.00 0.00 N ATOM 60 CA PRO A 193 1.985 1.441 6.564 1.00 0.00 C ATOM 61 C PRO A 193 1.614 0.349 5.551 1.00 0.00 C ATOM 62 O PRO A 193 0.507 -0.150 5.550 1.00 0.00 O ATOM 63 CB PRO A 193 1.430 2.793 6.100 1.00 0.00 C ATOM 64 CG PRO A 193 2.496 3.796 6.395 1.00 0.00 C ATOM 65 CD PRO A 193 3.827 3.049 6.351 1.00 0.00 C ATOM 0 HA PRO A 193 1.578 1.102 7.517 1.00 0.00 H new ATOM 0 HB2 PRO A 193 1.195 2.774 5.036 1.00 0.00 H new ATOM 0 HB3 PRO A 193 0.507 3.038 6.626 1.00 0.00 H new ATOM 0 HG2 PRO A 193 2.481 4.603 5.663 1.00 0.00 H new ATOM 0 HG3 PRO A 193 2.340 4.250 7.373 1.00 0.00 H new ATOM 0 HD2 PRO A 193 4.298 3.127 5.371 1.00 0.00 H new ATOM 0 HD3 PRO A 193 4.535 3.449 7.077 1.00 0.00 H new ATOM 73 N ASN A 194 2.520 -0.014 4.677 1.00 0.00 N ATOM 74 CA ASN A 194 2.190 -1.059 3.663 1.00 0.00 C ATOM 75 C ASN A 194 2.933 -2.367 3.961 1.00 0.00 C ATOM 76 O ASN A 194 2.445 -3.441 3.664 1.00 0.00 O ATOM 77 CB ASN A 194 2.583 -0.549 2.274 1.00 0.00 C ATOM 78 CG ASN A 194 4.104 -0.408 2.189 1.00 0.00 C ATOM 79 OD1 ASN A 194 4.795 -0.551 3.176 1.00 0.00 O ATOM 80 ND2 ASN A 194 4.657 -0.123 1.041 1.00 0.00 N ATOM 0 H ASN A 194 3.465 0.365 4.623 1.00 0.00 H new ATOM 0 HA ASN A 194 1.119 -1.259 3.701 1.00 0.00 H new ATOM 0 HB2 ASN A 194 2.229 -1.239 1.509 1.00 0.00 H new ATOM 0 HB3 ASN A 194 2.107 0.413 2.081 1.00 0.00 H new ATOM 0 HD21 ASN A 194 5.670 -0.021 0.974 1.00 0.00 H new ATOM 0 HD22 ASN A 194 4.076 -0.003 0.211 1.00 0.00 H new ATOM 87 N ASN A 195 4.100 -2.302 4.542 1.00 0.00 N ATOM 88 CA ASN A 195 4.842 -3.563 4.844 1.00 0.00 C ATOM 89 C ASN A 195 5.607 -3.412 6.159 1.00 0.00 C ATOM 90 O ASN A 195 6.728 -2.944 6.185 1.00 0.00 O ATOM 91 CB ASN A 195 5.831 -3.859 3.714 1.00 0.00 C ATOM 92 CG ASN A 195 6.338 -5.297 3.845 1.00 0.00 C ATOM 93 OD1 ASN A 195 5.620 -6.168 4.296 1.00 0.00 O ATOM 94 ND2 ASN A 195 7.556 -5.584 3.472 1.00 0.00 N ATOM 0 H ASN A 195 4.570 -1.440 4.819 1.00 0.00 H new ATOM 0 HA ASN A 195 4.130 -4.384 4.932 1.00 0.00 H new ATOM 0 HB2 ASN A 195 5.348 -3.719 2.747 1.00 0.00 H new ATOM 0 HB3 ASN A 195 6.668 -3.162 3.756 1.00 0.00 H new ATOM 0 HD21 ASN A 195 7.904 -6.539 3.559 1.00 0.00 H new ATOM 0 HD22 ASN A 195 8.159 -4.854 3.093 1.00 0.00 H new ATOM 101 N CYS A 196 5.018 -3.817 7.252 1.00 0.00 N ATOM 102 CA CYS A 196 5.719 -3.701 8.562 1.00 0.00 C ATOM 103 C CYS A 196 5.650 -5.040 9.297 1.00 0.00 C ATOM 104 O CYS A 196 4.586 -5.569 9.549 1.00 0.00 O ATOM 105 CB CYS A 196 5.046 -2.619 9.406 1.00 0.00 C ATOM 106 SG CYS A 196 4.495 -3.330 10.976 1.00 0.00 S ATOM 0 H CYS A 196 4.083 -4.223 7.294 1.00 0.00 H new ATOM 0 HA CYS A 196 6.762 -3.433 8.394 1.00 0.00 H new ATOM 0 HB2 CYS A 196 5.743 -1.801 9.590 1.00 0.00 H new ATOM 0 HB3 CYS A 196 4.197 -2.199 8.867 1.00 0.00 H new ATOM 111 N GLU A 197 6.780 -5.592 9.643 1.00 0.00 N ATOM 112 CA GLU A 197 6.789 -6.895 10.363 1.00 0.00 C ATOM 113 C GLU A 197 7.921 -6.891 11.391 1.00 0.00 C ATOM 114 O GLU A 197 8.560 -5.883 11.615 1.00 0.00 O ATOM 115 CB GLU A 197 7.004 -8.033 9.363 1.00 0.00 C ATOM 116 CG GLU A 197 5.865 -8.039 8.340 1.00 0.00 C ATOM 117 CD GLU A 197 4.535 -8.284 9.056 1.00 0.00 C ATOM 118 OE1 GLU A 197 4.567 -8.775 10.171 1.00 0.00 O ATOM 119 OE2 GLU A 197 3.508 -7.974 8.476 1.00 0.00 O ATOM 0 H GLU A 197 7.701 -5.195 9.457 1.00 0.00 H new ATOM 0 HA GLU A 197 5.835 -7.041 10.870 1.00 0.00 H new ATOM 0 HB2 GLU A 197 7.961 -7.909 8.856 1.00 0.00 H new ATOM 0 HB3 GLU A 197 7.041 -8.988 9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 197 5.834 -7.088 7.809 1.00 0.00 H new ATOM 0 HG3 GLU A 197 6.037 -8.815 7.594 1.00 0.00 H new ATOM 127 N ASN A 198 8.179 -8.006 12.018 1.00 0.00 N ATOM 128 CA ASN A 198 9.275 -8.048 13.026 1.00 0.00 C ATOM 129 C ASN A 198 10.539 -7.441 12.412 1.00 0.00 C ATOM 130 O ASN A 198 11.351 -6.851 13.096 1.00 0.00 O ATOM 131 CB ASN A 198 9.548 -9.499 13.428 1.00 0.00 C ATOM 132 CG ASN A 198 8.319 -10.072 14.136 1.00 0.00 C ATOM 133 OD1 ASN A 198 7.462 -9.334 14.582 1.00 0.00 O ATOM 134 ND2 ASN A 198 8.194 -11.365 14.257 1.00 0.00 N ATOM 0 H ASN A 198 7.681 -8.885 11.877 1.00 0.00 H new ATOM 0 HA ASN A 198 8.984 -7.480 13.910 1.00 0.00 H new ATOM 0 HB2 ASN A 198 9.783 -10.094 12.545 1.00 0.00 H new ATOM 0 HB3 ASN A 198 10.416 -9.548 14.086 1.00 0.00 H new ATOM 0 HD21 ASN A 198 7.377 -11.757 14.726 1.00 0.00 H new ATOM 0 HD22 ASN A 198 8.913 -11.984 13.883 1.00 0.00 H new ATOM 141 N GLY A 199 10.708 -7.581 11.126 1.00 0.00 N ATOM 142 CA GLY A 199 11.915 -7.012 10.464 1.00 0.00 C ATOM 143 C GLY A 199 11.680 -5.533 10.152 1.00 0.00 C ATOM 144 O GLY A 199 12.410 -4.930 9.392 1.00 0.00 O ATOM 0 H GLY A 199 10.061 -8.066 10.504 1.00 0.00 H new ATOM 0 HA2 GLY A 199 12.784 -7.124 11.112 1.00 0.00 H new ATOM 0 HA3 GLY A 199 12.130 -7.558 9.546 1.00 0.00 H new ATOM 148 N LEU A 200 10.666 -4.947 10.734 1.00 0.00 N ATOM 149 CA LEU A 200 10.372 -3.508 10.479 1.00 0.00 C ATOM 150 C LEU A 200 10.719 -3.155 9.029 1.00 0.00 C ATOM 151 O LEU A 200 11.861 -2.907 8.700 1.00 0.00 O ATOM 152 CB LEU A 200 11.211 -2.644 11.420 1.00 0.00 C ATOM 153 CG LEU A 200 11.422 -3.377 12.747 1.00 0.00 C ATOM 154 CD1 LEU A 200 12.187 -2.467 13.711 1.00 0.00 C ATOM 155 CD2 LEU A 200 10.065 -3.737 13.355 1.00 0.00 C ATOM 0 H LEU A 200 10.025 -5.408 11.380 1.00 0.00 H new ATOM 0 HA LEU A 200 9.312 -3.323 10.653 1.00 0.00 H new ATOM 0 HB2 LEU A 200 12.174 -2.420 10.961 1.00 0.00 H new ATOM 0 HB3 LEU A 200 10.712 -1.691 11.596 1.00 0.00 H new ATOM 0 HG LEU A 200 11.993 -4.289 12.573 1.00 0.00 H new ATOM 0 HD11 LEU A 200 12.339 -2.986 14.658 1.00 0.00 H new ATOM 0 HD12 LEU A 200 13.154 -2.210 13.279 1.00 0.00 H new ATOM 0 HD13 LEU A 200 11.613 -1.557 13.884 1.00 0.00 H new ATOM 0 HD21 LEU A 200 10.217 -4.259 14.300 1.00 0.00 H new ATOM 0 HD22 LEU A 200 9.492 -2.827 13.531 1.00 0.00 H new ATOM 0 HD23 LEU A 200 9.518 -4.382 12.668 1.00 0.00 H new ATOM 167 N CYS A 201 9.744 -3.134 8.160 1.00 0.00 N ATOM 168 CA CYS A 201 10.026 -2.801 6.732 1.00 0.00 C ATOM 169 C CYS A 201 10.997 -3.833 6.159 1.00 0.00 C ATOM 170 O CYS A 201 12.198 -3.665 6.216 1.00 0.00 O ATOM 171 CB CYS A 201 10.653 -1.407 6.640 1.00 0.00 C ATOM 172 SG CYS A 201 9.583 -0.204 7.466 1.00 0.00 S ATOM 0 H CYS A 201 8.767 -3.332 8.376 1.00 0.00 H new ATOM 0 HA CYS A 201 9.095 -2.814 6.165 1.00 0.00 H new ATOM 0 HB2 CYS A 201 11.640 -1.410 7.103 1.00 0.00 H new ATOM 0 HB3 CYS A 201 10.792 -1.128 5.596 1.00 0.00 H new ATOM 177 N THR A 202 10.490 -4.904 5.612 1.00 0.00 N ATOM 178 CA THR A 202 11.395 -5.942 5.043 1.00 0.00 C ATOM 179 C THR A 202 11.573 -5.704 3.543 1.00 0.00 C ATOM 180 O THR A 202 12.454 -6.263 2.918 1.00 0.00 O ATOM 181 CB THR A 202 10.781 -7.326 5.268 1.00 0.00 C ATOM 182 OG1 THR A 202 9.639 -7.477 4.436 1.00 0.00 O ATOM 183 CG2 THR A 202 10.366 -7.470 6.733 1.00 0.00 C ATOM 0 H THR A 202 9.493 -5.104 5.535 1.00 0.00 H new ATOM 0 HA THR A 202 12.366 -5.886 5.535 1.00 0.00 H new ATOM 0 HB THR A 202 11.515 -8.093 5.022 1.00 0.00 H new ATOM 0 HG1 THR A 202 9.246 -8.363 4.578 1.00 0.00 H new ATOM 0 HG21 THR A 202 9.929 -8.456 6.892 1.00 0.00 H new ATOM 0 HG22 THR A 202 11.241 -7.354 7.372 1.00 0.00 H new ATOM 0 HG23 THR A 202 9.632 -6.703 6.980 1.00 0.00 H new ATOM 191 N ASN A 203 10.746 -4.879 2.960 1.00 0.00 N ATOM 192 CA ASN A 203 10.863 -4.604 1.498 1.00 0.00 C ATOM 193 C ASN A 203 9.798 -3.587 1.084 1.00 0.00 C ATOM 194 O ASN A 203 9.626 -2.560 1.709 1.00 0.00 O ATOM 195 CB ASN A 203 10.648 -5.900 0.712 1.00 0.00 C ATOM 196 CG ASN A 203 10.993 -5.666 -0.759 1.00 0.00 C ATOM 197 OD1 ASN A 203 11.360 -4.574 -1.143 1.00 0.00 O ATOM 198 ND2 ASN A 203 10.887 -6.654 -1.606 1.00 0.00 N ATOM 0 H ASN A 203 9.992 -4.382 3.434 1.00 0.00 H new ATOM 0 HA ASN A 203 11.856 -4.207 1.286 1.00 0.00 H new ATOM 0 HB2 ASN A 203 11.272 -6.694 1.121 1.00 0.00 H new ATOM 0 HB3 ASN A 203 9.613 -6.228 0.806 1.00 0.00 H new ATOM 0 HD21 ASN A 203 11.112 -6.509 -2.590 1.00 0.00 H new ATOM 0 HD22 ASN A 203 10.579 -7.571 -1.284 1.00 0.00 H new ATOM 239 N PHE A 207 2.261 -3.312 -5.025 1.00 0.00 N ATOM 240 CA PHE A 207 1.783 -1.963 -5.445 1.00 0.00 C ATOM 241 C PHE A 207 2.539 -0.864 -4.700 1.00 0.00 C ATOM 242 O PHE A 207 3.075 -1.073 -3.630 1.00 0.00 O ATOM 243 CB PHE A 207 0.297 -1.824 -5.120 1.00 0.00 C ATOM 244 CG PHE A 207 -0.534 -2.540 -6.152 1.00 0.00 C ATOM 245 CD1 PHE A 207 -0.493 -2.129 -7.487 1.00 0.00 C ATOM 246 CD2 PHE A 207 -1.349 -3.612 -5.772 1.00 0.00 C ATOM 247 CE1 PHE A 207 -1.268 -2.791 -8.446 1.00 0.00 C ATOM 248 CE2 PHE A 207 -2.124 -4.273 -6.728 1.00 0.00 C ATOM 249 CZ PHE A 207 -2.084 -3.864 -8.066 1.00 0.00 C ATOM 0 HA PHE A 207 1.955 -1.860 -6.516 1.00 0.00 H new ATOM 0 HB2 PHE A 207 0.094 -2.235 -4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 207 0.022 -0.770 -5.089 1.00 0.00 H new ATOM 0 HD1 PHE A 207 0.136 -1.301 -7.778 1.00 0.00 H new ATOM 0 HD2 PHE A 207 -1.379 -3.928 -4.740 1.00 0.00 H new ATOM 0 HE1 PHE A 207 -1.237 -2.475 -9.478 1.00 0.00 H new ATOM 0 HE2 PHE A 207 -2.754 -5.100 -6.435 1.00 0.00 H new ATOM 0 HZ PHE A 207 -2.682 -4.376 -8.805 1.00 0.00 H new ATOM 259 N GLU A 208 2.564 0.314 -5.261 1.00 0.00 N ATOM 260 CA GLU A 208 3.255 1.451 -4.599 1.00 0.00 C ATOM 261 C GLU A 208 2.343 2.679 -4.659 1.00 0.00 C ATOM 262 O GLU A 208 1.737 2.957 -5.676 1.00 0.00 O ATOM 263 CB GLU A 208 4.569 1.746 -5.326 1.00 0.00 C ATOM 264 CG GLU A 208 5.332 2.850 -4.589 1.00 0.00 C ATOM 265 CD GLU A 208 5.840 2.314 -3.249 1.00 0.00 C ATOM 266 OE1 GLU A 208 6.016 1.112 -3.142 1.00 0.00 O ATOM 267 OE2 GLU A 208 6.045 3.117 -2.353 1.00 0.00 O ATOM 0 H GLU A 208 2.131 0.537 -6.157 1.00 0.00 H new ATOM 0 HA GLU A 208 3.474 1.202 -3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 208 5.177 0.843 -5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 208 4.367 2.054 -6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 208 6.169 3.195 -5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 208 4.682 3.709 -4.426 1.00 0.00 H new ATOM 275 N ASP A 209 2.230 3.417 -3.588 1.00 0.00 N ATOM 276 CA ASP A 209 1.345 4.615 -3.615 1.00 0.00 C ATOM 277 C ASP A 209 2.046 5.739 -4.372 1.00 0.00 C ATOM 278 O ASP A 209 2.989 6.335 -3.890 1.00 0.00 O ATOM 279 CB ASP A 209 1.045 5.076 -2.188 1.00 0.00 C ATOM 280 CG ASP A 209 0.257 3.992 -1.452 1.00 0.00 C ATOM 281 OD1 ASP A 209 -0.366 3.184 -2.119 1.00 0.00 O ATOM 282 OD2 ASP A 209 0.290 3.988 -0.232 1.00 0.00 O ATOM 0 H ASP A 209 2.708 3.244 -2.703 1.00 0.00 H new ATOM 0 HA ASP A 209 0.409 4.360 -4.112 1.00 0.00 H new ATOM 0 HB2 ASP A 209 1.975 5.285 -1.660 1.00 0.00 H new ATOM 0 HB3 ASP A 209 0.474 6.004 -2.208 1.00 0.00 H new ATOM 288 N LEU A 210 1.586 6.041 -5.551 1.00 0.00 N ATOM 289 CA LEU A 210 2.217 7.131 -6.340 1.00 0.00 C ATOM 290 C LEU A 210 2.079 8.452 -5.578 1.00 0.00 C ATOM 291 O LEU A 210 2.901 9.338 -5.704 1.00 0.00 O ATOM 292 CB LEU A 210 1.526 7.234 -7.703 1.00 0.00 C ATOM 293 CG LEU A 210 1.793 5.961 -8.511 1.00 0.00 C ATOM 294 CD1 LEU A 210 1.095 6.061 -9.867 1.00 0.00 C ATOM 295 CD2 LEU A 210 3.299 5.806 -8.733 1.00 0.00 C ATOM 0 H LEU A 210 0.798 5.578 -6.004 1.00 0.00 H new ATOM 0 HA LEU A 210 3.275 6.916 -6.492 1.00 0.00 H new ATOM 0 HB2 LEU A 210 0.453 7.373 -7.569 1.00 0.00 H new ATOM 0 HB3 LEU A 210 1.895 8.105 -8.245 1.00 0.00 H new ATOM 0 HG LEU A 210 1.410 5.099 -7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 210 1.285 5.155 -10.442 1.00 0.00 H new ATOM 0 HD12 LEU A 210 0.022 6.176 -9.716 1.00 0.00 H new ATOM 0 HD13 LEU A 210 1.480 6.923 -10.411 1.00 0.00 H new ATOM 0 HD21 LEU A 210 3.491 4.900 -9.308 1.00 0.00 H new ATOM 0 HD22 LEU A 210 3.677 6.670 -9.280 1.00 0.00 H new ATOM 0 HD23 LEU A 210 3.804 5.738 -7.769 1.00 0.00 H new ATOM 307 N LEU A 211 1.048 8.590 -4.788 1.00 0.00 N ATOM 308 CA LEU A 211 0.860 9.854 -4.017 1.00 0.00 C ATOM 309 C LEU A 211 1.028 9.577 -2.523 1.00 0.00 C ATOM 310 O LEU A 211 0.631 8.543 -2.025 1.00 0.00 O ATOM 311 CB LEU A 211 -0.541 10.411 -4.273 1.00 0.00 C ATOM 312 CG LEU A 211 -0.733 10.639 -5.771 1.00 0.00 C ATOM 313 CD1 LEU A 211 -2.127 11.212 -6.025 1.00 0.00 C ATOM 314 CD2 LEU A 211 0.324 11.625 -6.275 1.00 0.00 C ATOM 0 H LEU A 211 0.328 7.882 -4.643 1.00 0.00 H new ATOM 0 HA LEU A 211 1.605 10.581 -4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.294 9.716 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -0.676 11.347 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 211 -0.629 9.692 -6.300 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.264 11.375 -7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.880 10.511 -5.665 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.233 12.160 -5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.188 11.789 -7.344 1.00 0.00 H new ATOM 0 HD22 LEU A 211 0.219 12.573 -5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.318 11.217 -6.094 1.00 0.00 H new ATOM 326 N SER A 212 1.606 10.499 -1.804 1.00 0.00 N ATOM 327 CA SER A 212 1.789 10.292 -0.340 1.00 0.00 C ATOM 328 C SER A 212 0.488 10.637 0.379 1.00 0.00 C ATOM 329 O SER A 212 0.357 10.446 1.573 1.00 0.00 O ATOM 330 CB SER A 212 2.910 11.202 0.162 1.00 0.00 C ATOM 331 OG SER A 212 2.464 12.552 0.142 1.00 0.00 O ATOM 0 H SER A 212 1.959 11.385 -2.166 1.00 0.00 H new ATOM 0 HA SER A 212 2.051 9.253 -0.142 1.00 0.00 H new ATOM 0 HB2 SER A 212 3.199 10.918 1.174 1.00 0.00 H new ATOM 0 HB3 SER A 212 3.794 11.090 -0.466 1.00 0.00 H new ATOM 0 HG SER A 212 3.180 13.138 0.465 1.00 0.00 H new ATOM 337 N ASN A 213 -0.478 11.136 -0.339 1.00 0.00 N ATOM 338 CA ASN A 213 -1.774 11.487 0.296 1.00 0.00 C ATOM 339 C ASN A 213 -2.777 10.361 0.055 1.00 0.00 C ATOM 340 O ASN A 213 -3.958 10.504 0.299 1.00 0.00 O ATOM 341 CB ASN A 213 -2.300 12.786 -0.316 1.00 0.00 C ATOM 342 CG ASN A 213 -1.370 13.941 0.054 1.00 0.00 C ATOM 343 OD1 ASN A 213 -0.535 13.807 0.927 1.00 0.00 O ATOM 344 ND2 ASN A 213 -1.480 15.078 -0.575 1.00 0.00 N ATOM 0 H ASN A 213 -0.424 11.316 -1.342 1.00 0.00 H new ATOM 0 HA ASN A 213 -1.634 11.622 1.369 1.00 0.00 H new ATOM 0 HB2 ASN A 213 -2.363 12.690 -1.400 1.00 0.00 H new ATOM 0 HB3 ASN A 213 -3.308 12.988 0.045 1.00 0.00 H new ATOM 0 HD21 ASN A 213 -0.865 15.855 -0.334 1.00 0.00 H new ATOM 0 HD22 ASN A 213 -2.181 15.190 -1.308 1.00 0.00 H new ATOM 351 N CYS A 214 -2.316 9.242 -0.431 1.00 0.00 N ATOM 352 CA CYS A 214 -3.241 8.108 -0.703 1.00 0.00 C ATOM 353 C CYS A 214 -4.105 7.823 0.523 1.00 0.00 C ATOM 354 O CYS A 214 -5.304 7.660 0.417 1.00 0.00 O ATOM 355 CB CYS A 214 -2.425 6.871 -1.061 1.00 0.00 C ATOM 356 SG CYS A 214 -1.939 6.987 -2.795 1.00 0.00 S ATOM 0 H CYS A 214 -1.336 9.064 -0.652 1.00 0.00 H new ATOM 0 HA CYS A 214 -3.895 8.370 -1.535 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -1.543 6.802 -0.424 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -3.012 5.968 -0.892 1.00 0.00 H new ATOM 361 N GLU A 215 -3.524 7.774 1.687 1.00 0.00 N ATOM 362 CA GLU A 215 -4.350 7.514 2.895 1.00 0.00 C ATOM 363 C GLU A 215 -5.394 8.623 2.995 1.00 0.00 C ATOM 364 O GLU A 215 -6.535 8.395 3.347 1.00 0.00 O ATOM 365 CB GLU A 215 -3.465 7.525 4.142 1.00 0.00 C ATOM 366 CG GLU A 215 -4.289 7.091 5.354 1.00 0.00 C ATOM 367 CD GLU A 215 -3.436 7.203 6.618 1.00 0.00 C ATOM 368 OE1 GLU A 215 -3.940 6.880 7.681 1.00 0.00 O ATOM 369 OE2 GLU A 215 -2.291 7.608 6.500 1.00 0.00 O ATOM 0 H GLU A 215 -2.526 7.901 1.853 1.00 0.00 H new ATOM 0 HA GLU A 215 -4.833 6.540 2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -2.617 6.854 4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -3.058 8.523 4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -5.177 7.716 5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -4.633 6.065 5.225 1.00 0.00 H new ATOM 377 N SER A 216 -5.005 9.825 2.667 1.00 0.00 N ATOM 378 CA SER A 216 -5.956 10.967 2.715 1.00 0.00 C ATOM 379 C SER A 216 -6.973 10.841 1.577 1.00 0.00 C ATOM 380 O SER A 216 -8.147 11.102 1.749 1.00 0.00 O ATOM 381 CB SER A 216 -5.173 12.273 2.564 1.00 0.00 C ATOM 382 OG SER A 216 -4.259 12.399 3.646 1.00 0.00 O ATOM 0 H SER A 216 -4.060 10.065 2.366 1.00 0.00 H new ATOM 0 HA SER A 216 -6.487 10.964 3.667 1.00 0.00 H new ATOM 0 HB2 SER A 216 -4.636 12.281 1.616 1.00 0.00 H new ATOM 0 HB3 SER A 216 -5.857 13.121 2.550 1.00 0.00 H new ATOM 0 HG SER A 216 -3.754 13.234 3.552 1.00 0.00 H new ATOM 388 N LEU A 217 -6.531 10.443 0.413 1.00 0.00 N ATOM 389 CA LEU A 217 -7.470 10.302 -0.739 1.00 0.00 C ATOM 390 C LEU A 217 -8.485 9.193 -0.452 1.00 0.00 C ATOM 391 O LEU A 217 -9.638 9.287 -0.821 1.00 0.00 O ATOM 392 CB LEU A 217 -6.682 9.954 -2.005 1.00 0.00 C ATOM 393 CG LEU A 217 -5.716 11.092 -2.345 1.00 0.00 C ATOM 394 CD1 LEU A 217 -4.963 10.755 -3.634 1.00 0.00 C ATOM 395 CD2 LEU A 217 -6.506 12.388 -2.543 1.00 0.00 C ATOM 0 H LEU A 217 -5.559 10.209 0.210 1.00 0.00 H new ATOM 0 HA LEU A 217 -7.998 11.244 -0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.128 9.027 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -7.367 9.786 -2.836 1.00 0.00 H new ATOM 0 HG LEU A 217 -5.004 11.219 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -4.275 11.565 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -4.401 9.831 -3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.676 10.628 -4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -5.819 13.199 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -7.218 12.259 -3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -7.044 12.630 -1.626 1.00 0.00 H new ATOM 407 N LYS A 218 -8.069 8.144 0.201 1.00 0.00 N ATOM 408 CA LYS A 218 -9.020 7.037 0.500 1.00 0.00 C ATOM 409 C LYS A 218 -10.200 7.600 1.290 1.00 0.00 C ATOM 410 O LYS A 218 -11.346 7.316 1.005 1.00 0.00 O ATOM 411 CB LYS A 218 -8.304 5.972 1.336 1.00 0.00 C ATOM 412 CG LYS A 218 -8.970 4.604 1.135 1.00 0.00 C ATOM 413 CD LYS A 218 -10.173 4.463 2.072 1.00 0.00 C ATOM 414 CE LYS A 218 -9.699 4.511 3.526 1.00 0.00 C ATOM 415 NZ LYS A 218 -10.469 3.522 4.334 1.00 0.00 N ATOM 0 H LYS A 218 -7.117 8.005 0.539 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.378 6.589 -0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -7.254 5.919 1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -8.332 6.247 2.390 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -9.291 4.496 0.099 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -8.251 3.808 1.331 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -10.888 5.264 1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -10.690 3.523 1.878 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -8.633 4.289 3.580 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -9.837 5.513 3.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -10.147 3.555 5.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -11.482 3.753 4.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -10.316 2.567 3.952 1.00 0.00 H new ATOM 429 N THR A 219 -9.926 8.403 2.279 1.00 0.00 N ATOM 430 CA THR A 219 -11.026 8.995 3.088 1.00 0.00 C ATOM 431 C THR A 219 -11.834 9.975 2.230 1.00 0.00 C ATOM 432 O THR A 219 -13.039 10.070 2.349 1.00 0.00 O ATOM 433 CB THR A 219 -10.431 9.736 4.288 1.00 0.00 C ATOM 434 OG1 THR A 219 -9.617 8.844 5.038 1.00 0.00 O ATOM 435 CG2 THR A 219 -11.560 10.269 5.174 1.00 0.00 C ATOM 0 H THR A 219 -8.985 8.675 2.563 1.00 0.00 H new ATOM 0 HA THR A 219 -11.684 8.200 3.438 1.00 0.00 H new ATOM 0 HB THR A 219 -9.826 10.571 3.935 1.00 0.00 H new ATOM 0 HG1 THR A 219 -9.234 9.318 5.806 1.00 0.00 H new ATOM 0 HG21 THR A 219 -11.134 10.796 6.028 1.00 0.00 H new ATOM 0 HG22 THR A 219 -12.182 10.954 4.598 1.00 0.00 H new ATOM 0 HG23 THR A 219 -12.168 9.437 5.528 1.00 0.00 H new ATOM 443 N SER A 220 -11.178 10.715 1.374 1.00 0.00 N ATOM 444 CA SER A 220 -11.909 11.697 0.523 1.00 0.00 C ATOM 445 C SER A 220 -12.507 10.996 -0.698 1.00 0.00 C ATOM 446 O SER A 220 -13.535 11.393 -1.209 1.00 0.00 O ATOM 447 CB SER A 220 -10.947 12.790 0.058 1.00 0.00 C ATOM 448 OG SER A 220 -10.463 13.501 1.189 1.00 0.00 O ATOM 0 H SER A 220 -10.169 10.681 1.229 1.00 0.00 H new ATOM 0 HA SER A 220 -12.713 12.141 1.110 1.00 0.00 H new ATOM 0 HB2 SER A 220 -10.116 12.349 -0.492 1.00 0.00 H new ATOM 0 HB3 SER A 220 -11.455 13.471 -0.624 1.00 0.00 H new ATOM 0 HG SER A 220 -9.844 14.202 0.895 1.00 0.00 H new ATOM 454 N ALA A 221 -11.872 9.959 -1.173 1.00 0.00 N ATOM 455 CA ALA A 221 -12.409 9.242 -2.363 1.00 0.00 C ATOM 456 C ALA A 221 -12.847 7.836 -1.955 1.00 0.00 C ATOM 457 O ALA A 221 -14.005 7.592 -1.680 1.00 0.00 O ATOM 458 CB ALA A 221 -11.325 9.150 -3.442 1.00 0.00 C ATOM 0 H ALA A 221 -11.007 9.579 -0.789 1.00 0.00 H new ATOM 0 HA ALA A 221 -13.265 9.788 -2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -11.721 8.625 -4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -11.016 10.154 -3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -10.466 8.606 -3.049 1.00 0.00 H new ATOM 464 N GLY A 222 -11.934 6.908 -1.910 1.00 0.00 N ATOM 465 CA GLY A 222 -12.305 5.521 -1.516 1.00 0.00 C ATOM 466 C GLY A 222 -11.565 4.519 -2.400 1.00 0.00 C ATOM 467 O GLY A 222 -11.277 4.782 -3.550 1.00 0.00 O ATOM 0 H GLY A 222 -10.948 7.049 -2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -12.055 5.351 -0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -13.382 5.381 -1.613 1.00 0.00 H new ATOM 471 N CYS A 223 -11.257 3.369 -1.870 1.00 0.00 N ATOM 472 CA CYS A 223 -10.536 2.344 -2.673 1.00 0.00 C ATOM 473 C CYS A 223 -11.365 1.984 -3.906 1.00 0.00 C ATOM 474 O CYS A 223 -10.837 1.746 -4.976 1.00 0.00 O ATOM 475 CB CYS A 223 -10.333 1.096 -1.814 1.00 0.00 C ATOM 476 SG CYS A 223 -9.243 1.501 -0.431 1.00 0.00 S ATOM 0 H CYS A 223 -11.474 3.094 -0.912 1.00 0.00 H new ATOM 0 HA CYS A 223 -9.570 2.736 -2.992 1.00 0.00 H new ATOM 0 HB2 CYS A 223 -11.292 0.735 -1.443 1.00 0.00 H new ATOM 0 HB3 CYS A 223 -9.900 0.294 -2.412 1.00 0.00 H new ATOM 481 N LYS A 224 -12.659 1.946 -3.766 1.00 0.00 N ATOM 482 CA LYS A 224 -13.525 1.607 -4.927 1.00 0.00 C ATOM 483 C LYS A 224 -13.347 2.661 -6.020 1.00 0.00 C ATOM 484 O LYS A 224 -13.634 2.425 -7.176 1.00 0.00 O ATOM 485 CB LYS A 224 -14.986 1.561 -4.476 1.00 0.00 C ATOM 486 CG LYS A 224 -15.172 0.401 -3.496 1.00 0.00 C ATOM 487 CD LYS A 224 -16.653 0.249 -3.147 1.00 0.00 C ATOM 488 CE LYS A 224 -16.816 -0.849 -2.095 1.00 0.00 C ATOM 489 NZ LYS A 224 -16.372 -2.152 -2.666 1.00 0.00 N ATOM 0 H LYS A 224 -13.156 2.136 -2.895 1.00 0.00 H new ATOM 0 HA LYS A 224 -13.243 0.632 -5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 224 -15.263 2.502 -4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 224 -15.642 1.434 -5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 224 -14.796 -0.523 -3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 224 -14.592 0.581 -2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -17.048 1.192 -2.769 1.00 0.00 H new ATOM 0 HD3 LYS A 224 -17.225 -0.000 -4.041 1.00 0.00 H new ATOM 0 HE2 LYS A 224 -16.229 -0.609 -1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 224 -17.857 -0.914 -1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 -16.725 -2.930 -2.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 -16.748 -2.254 -3.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 -15.333 -2.183 -2.694 1.00 0.00 H new ATOM 503 N HIS A 225 -12.877 3.825 -5.663 1.00 0.00 N ATOM 504 CA HIS A 225 -12.686 4.894 -6.683 1.00 0.00 C ATOM 505 C HIS A 225 -11.550 4.497 -7.629 1.00 0.00 C ATOM 506 O HIS A 225 -10.483 4.100 -7.204 1.00 0.00 O ATOM 507 CB HIS A 225 -12.330 6.205 -5.981 1.00 0.00 C ATOM 508 CG HIS A 225 -12.331 7.327 -6.981 1.00 0.00 C ATOM 509 ND1 HIS A 225 -12.226 7.101 -8.346 1.00 0.00 N ATOM 510 CD2 HIS A 225 -12.430 8.688 -6.831 1.00 0.00 C ATOM 511 CE1 HIS A 225 -12.263 8.297 -8.958 1.00 0.00 C ATOM 512 NE2 HIS A 225 -12.386 9.294 -8.082 1.00 0.00 N ATOM 0 H HIS A 225 -12.617 4.081 -4.710 1.00 0.00 H new ATOM 0 HA HIS A 225 -13.605 5.024 -7.254 1.00 0.00 H new ATOM 0 HB2 HIS A 225 -13.048 6.411 -5.187 1.00 0.00 H new ATOM 0 HB3 HIS A 225 -11.350 6.124 -5.511 1.00 0.00 H new ATOM 0 HD2 HIS A 225 -12.527 9.207 -5.889 1.00 0.00 H new ATOM 0 HE1 HIS A 225 -12.201 8.433 -10.028 1.00 0.00 H new ATOM 0 HE2 HIS A 225 -12.437 10.292 -8.286 1.00 0.00 H new ATOM 521 N GLU A 226 -11.775 4.598 -8.911 1.00 0.00 N ATOM 522 CA GLU A 226 -10.718 4.225 -9.892 1.00 0.00 C ATOM 523 C GLU A 226 -9.456 5.056 -9.644 1.00 0.00 C ATOM 524 O GLU A 226 -8.350 4.591 -9.835 1.00 0.00 O ATOM 525 CB GLU A 226 -11.225 4.491 -11.311 1.00 0.00 C ATOM 526 CG GLU A 226 -10.201 3.977 -12.326 1.00 0.00 C ATOM 527 CD GLU A 226 -10.173 2.449 -12.290 1.00 0.00 C ATOM 528 OE1 GLU A 226 -9.154 1.886 -12.656 1.00 0.00 O ATOM 529 OE2 GLU A 226 -11.170 1.867 -11.898 1.00 0.00 O ATOM 0 H GLU A 226 -12.650 4.924 -9.322 1.00 0.00 H new ATOM 0 HA GLU A 226 -10.481 3.168 -9.775 1.00 0.00 H new ATOM 0 HB2 GLU A 226 -12.184 3.996 -11.464 1.00 0.00 H new ATOM 0 HB3 GLU A 226 -11.391 5.559 -11.455 1.00 0.00 H new ATOM 0 HG2 GLU A 226 -10.459 4.323 -13.327 1.00 0.00 H new ATOM 0 HG3 GLU A 226 -9.213 4.375 -12.096 1.00 0.00 H new ATOM 537 N LEU A 227 -9.609 6.284 -9.232 1.00 0.00 N ATOM 538 CA LEU A 227 -8.413 7.139 -8.989 1.00 0.00 C ATOM 539 C LEU A 227 -7.418 6.404 -8.090 1.00 0.00 C ATOM 540 O LEU A 227 -6.251 6.300 -8.406 1.00 0.00 O ATOM 541 CB LEU A 227 -8.841 8.442 -8.307 1.00 0.00 C ATOM 542 CG LEU A 227 -8.694 9.608 -9.287 1.00 0.00 C ATOM 543 CD1 LEU A 227 -9.719 9.464 -10.412 1.00 0.00 C ATOM 544 CD2 LEU A 227 -8.928 10.927 -8.548 1.00 0.00 C ATOM 0 H LEU A 227 -10.508 6.732 -9.053 1.00 0.00 H new ATOM 0 HA LEU A 227 -7.939 7.363 -9.945 1.00 0.00 H new ATOM 0 HB2 LEU A 227 -9.875 8.365 -7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 227 -8.230 8.619 -7.422 1.00 0.00 H new ATOM 0 HG LEU A 227 -7.690 9.601 -9.710 1.00 0.00 H new ATOM 0 HD11 LEU A 227 -9.613 10.295 -11.109 1.00 0.00 H new ATOM 0 HD12 LEU A 227 -9.551 8.525 -10.939 1.00 0.00 H new ATOM 0 HD13 LEU A 227 -10.724 9.469 -9.991 1.00 0.00 H new ATOM 0 HD21 LEU A 227 -8.823 11.758 -9.245 1.00 0.00 H new ATOM 0 HD22 LEU A 227 -9.932 10.933 -8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 227 -8.195 11.031 -7.748 1.00 0.00 H new ATOM 556 N LEU A 228 -7.862 5.891 -6.977 1.00 0.00 N ATOM 557 CA LEU A 228 -6.930 5.169 -6.071 1.00 0.00 C ATOM 558 C LEU A 228 -6.417 3.914 -6.768 1.00 0.00 C ATOM 559 O LEU A 228 -5.335 3.435 -6.496 1.00 0.00 O ATOM 560 CB LEU A 228 -7.652 4.779 -4.778 1.00 0.00 C ATOM 561 CG LEU A 228 -7.706 5.981 -3.828 1.00 0.00 C ATOM 562 CD1 LEU A 228 -8.872 6.895 -4.210 1.00 0.00 C ATOM 563 CD2 LEU A 228 -7.897 5.491 -2.391 1.00 0.00 C ATOM 0 H LEU A 228 -8.829 5.941 -6.657 1.00 0.00 H new ATOM 0 HA LEU A 228 -6.091 5.821 -5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -8.662 4.437 -5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -7.134 3.948 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 228 -6.772 6.537 -3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -8.904 7.747 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -8.736 7.250 -5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -9.807 6.340 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -7.935 6.347 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -8.829 4.930 -2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -7.063 4.847 -2.112 1.00 0.00 H new ATOM 575 N LYS A 229 -7.202 3.368 -7.646 1.00 0.00 N ATOM 576 CA LYS A 229 -6.790 2.130 -8.349 1.00 0.00 C ATOM 577 C LYS A 229 -5.632 2.405 -9.315 1.00 0.00 C ATOM 578 O LYS A 229 -5.126 1.495 -9.940 1.00 0.00 O ATOM 579 CB LYS A 229 -7.982 1.575 -9.128 1.00 0.00 C ATOM 580 CG LYS A 229 -8.030 0.055 -8.970 1.00 0.00 C ATOM 581 CD LYS A 229 -8.380 -0.294 -7.521 1.00 0.00 C ATOM 582 CE LYS A 229 -9.491 -1.345 -7.503 1.00 0.00 C ATOM 583 NZ LYS A 229 -9.061 -2.544 -8.277 1.00 0.00 N ATOM 0 H LYS A 229 -8.119 3.729 -7.909 1.00 0.00 H new ATOM 0 HA LYS A 229 -6.453 1.405 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 229 -8.908 2.019 -8.762 1.00 0.00 H new ATOM 0 HB3 LYS A 229 -7.896 1.839 -10.182 1.00 0.00 H new ATOM 0 HG2 LYS A 229 -8.771 -0.369 -9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 229 -7.067 -0.380 -9.238 1.00 0.00 H new ATOM 0 HD2 LYS A 229 -7.498 -0.673 -7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 229 -8.702 0.601 -6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 229 -9.721 -1.627 -6.476 1.00 0.00 H new ATOM 0 HE3 LYS A 229 -10.403 -0.931 -7.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 -9.513 -3.393 -7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 -9.342 -2.434 -9.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 -8.027 -2.643 -8.218 1.00 0.00 H new ATOM 597 N THR A 230 -5.213 3.639 -9.475 1.00 0.00 N ATOM 598 CA THR A 230 -4.098 3.904 -10.437 1.00 0.00 C ATOM 599 C THR A 230 -2.901 4.589 -9.753 1.00 0.00 C ATOM 600 O THR A 230 -1.789 4.506 -10.234 1.00 0.00 O ATOM 601 CB THR A 230 -4.616 4.754 -11.606 1.00 0.00 C ATOM 602 OG1 THR A 230 -3.816 4.513 -12.755 1.00 0.00 O ATOM 603 CG2 THR A 230 -4.565 6.239 -11.257 1.00 0.00 C ATOM 0 H THR A 230 -5.586 4.457 -8.992 1.00 0.00 H new ATOM 0 HA THR A 230 -3.742 2.946 -10.817 1.00 0.00 H new ATOM 0 HB THR A 230 -5.651 4.477 -11.807 1.00 0.00 H new ATOM 0 HG1 THR A 230 -4.146 5.054 -13.503 1.00 0.00 H new ATOM 0 HG21 THR A 230 -4.936 6.824 -12.099 1.00 0.00 H new ATOM 0 HG22 THR A 230 -5.186 6.429 -10.382 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.536 6.527 -11.041 1.00 0.00 H new ATOM 611 N LYS A 231 -3.096 5.241 -8.635 1.00 0.00 N ATOM 612 CA LYS A 231 -1.930 5.888 -7.948 1.00 0.00 C ATOM 613 C LYS A 231 -1.915 5.468 -6.475 1.00 0.00 C ATOM 614 O LYS A 231 -0.927 5.627 -5.786 1.00 0.00 O ATOM 615 CB LYS A 231 -2.010 7.418 -8.049 1.00 0.00 C ATOM 616 CG LYS A 231 -3.453 7.861 -8.238 1.00 0.00 C ATOM 617 CD LYS A 231 -4.248 7.486 -6.999 1.00 0.00 C ATOM 618 CE LYS A 231 -5.482 8.388 -6.896 1.00 0.00 C ATOM 619 NZ LYS A 231 -5.936 8.768 -8.263 1.00 0.00 N ATOM 0 H LYS A 231 -3.997 5.354 -8.171 1.00 0.00 H new ATOM 0 HA LYS A 231 -1.013 5.562 -8.438 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -1.599 7.871 -7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -1.403 7.766 -8.885 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -3.498 8.937 -8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.881 7.384 -9.120 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -4.551 6.440 -7.050 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -3.629 7.595 -6.109 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -6.281 7.869 -6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -5.245 9.282 -6.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -6.871 9.220 -8.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -5.255 9.433 -8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -5.999 7.917 -8.857 1.00 0.00 H new ATOM 633 N CYS A 232 -2.998 4.919 -5.992 1.00 0.00 N ATOM 634 CA CYS A 232 -3.042 4.472 -4.567 1.00 0.00 C ATOM 635 C CYS A 232 -3.326 2.975 -4.525 1.00 0.00 C ATOM 636 O CYS A 232 -3.857 2.453 -3.565 1.00 0.00 O ATOM 637 CB CYS A 232 -4.140 5.225 -3.823 1.00 0.00 C ATOM 638 SG CYS A 232 -3.709 6.977 -3.763 1.00 0.00 S ATOM 0 H CYS A 232 -3.855 4.760 -6.522 1.00 0.00 H new ATOM 0 HA CYS A 232 -2.085 4.679 -4.088 1.00 0.00 H new ATOM 0 HB2 CYS A 232 -5.098 5.089 -4.326 1.00 0.00 H new ATOM 0 HB3 CYS A 232 -4.251 4.829 -2.813 1.00 0.00 H new ATOM 643 N GLN A 233 -2.975 2.285 -5.568 1.00 0.00 N ATOM 644 CA GLN A 233 -3.217 0.818 -5.617 1.00 0.00 C ATOM 645 C GLN A 233 -2.598 0.151 -4.387 1.00 0.00 C ATOM 646 O GLN A 233 -3.149 -0.779 -3.835 1.00 0.00 O ATOM 647 CB GLN A 233 -2.562 0.264 -6.882 1.00 0.00 C ATOM 648 CG GLN A 233 -3.267 0.850 -8.106 1.00 0.00 C ATOM 649 CD GLN A 233 -2.495 0.480 -9.373 1.00 0.00 C ATOM 650 OE1 GLN A 233 -1.391 -0.022 -9.300 1.00 0.00 O ATOM 651 NE2 GLN A 233 -3.030 0.715 -10.540 1.00 0.00 N ATOM 0 H GLN A 233 -2.527 2.676 -6.397 1.00 0.00 H new ATOM 0 HA GLN A 233 -4.288 0.616 -5.627 1.00 0.00 H new ATOM 0 HB2 GLN A 233 -1.502 0.519 -6.900 1.00 0.00 H new ATOM 0 HB3 GLN A 233 -2.628 -0.824 -6.895 1.00 0.00 H new ATOM 0 HG2 GLN A 233 -4.287 0.470 -8.166 1.00 0.00 H new ATOM 0 HG3 GLN A 233 -3.335 1.934 -8.014 1.00 0.00 H new ATOM 0 HE21 GLN A 233 -3.957 1.136 -10.601 1.00 0.00 H new ATOM 0 HE22 GLN A 233 -2.521 0.477 -11.391 1.00 0.00 H new ATOM 660 N ALA A 234 -1.457 0.612 -3.955 1.00 0.00 N ATOM 661 CA ALA A 234 -0.808 -0.009 -2.767 1.00 0.00 C ATOM 662 C ALA A 234 -1.550 0.384 -1.489 1.00 0.00 C ATOM 663 O ALA A 234 -1.640 -0.386 -0.557 1.00 0.00 O ATOM 664 CB ALA A 234 0.646 0.455 -2.676 1.00 0.00 C ATOM 0 H ALA A 234 -0.947 1.390 -4.372 1.00 0.00 H new ATOM 0 HA ALA A 234 -0.841 -1.093 -2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 234 1.119 -0.000 -1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 234 1.180 0.156 -3.578 1.00 0.00 H new ATOM 0 HB3 ALA A 234 0.676 1.540 -2.579 1.00 0.00 H new ATOM 670 N THR A 235 -2.077 1.572 -1.429 1.00 0.00 N ATOM 671 CA THR A 235 -2.800 1.991 -0.200 1.00 0.00 C ATOM 672 C THR A 235 -4.051 1.131 -0.017 1.00 0.00 C ATOM 673 O THR A 235 -4.507 0.914 1.087 1.00 0.00 O ATOM 674 CB THR A 235 -3.192 3.465 -0.316 1.00 0.00 C ATOM 675 OG1 THR A 235 -2.220 4.262 0.347 1.00 0.00 O ATOM 676 CG2 THR A 235 -4.566 3.693 0.319 1.00 0.00 C ATOM 0 H THR A 235 -2.039 2.268 -2.174 1.00 0.00 H new ATOM 0 HA THR A 235 -2.150 1.859 0.665 1.00 0.00 H new ATOM 0 HB THR A 235 -3.239 3.744 -1.369 1.00 0.00 H new ATOM 0 HG1 THR A 235 -1.346 3.822 0.296 1.00 0.00 H new ATOM 0 HG21 THR A 235 -4.837 4.745 0.232 1.00 0.00 H new ATOM 0 HG22 THR A 235 -5.310 3.083 -0.194 1.00 0.00 H new ATOM 0 HG23 THR A 235 -4.531 3.413 1.372 1.00 0.00 H new ATOM 684 N CYS A 236 -4.618 0.649 -1.089 1.00 0.00 N ATOM 685 CA CYS A 236 -5.848 -0.183 -0.966 1.00 0.00 C ATOM 686 C CYS A 236 -5.544 -1.648 -1.293 1.00 0.00 C ATOM 687 O CYS A 236 -5.736 -2.525 -0.474 1.00 0.00 O ATOM 688 CB CYS A 236 -6.902 0.350 -1.932 1.00 0.00 C ATOM 689 SG CYS A 236 -7.495 1.949 -1.333 1.00 0.00 S ATOM 0 H CYS A 236 -4.284 0.795 -2.042 1.00 0.00 H new ATOM 0 HA CYS A 236 -6.215 -0.129 0.059 1.00 0.00 H new ATOM 0 HB2 CYS A 236 -6.478 0.456 -2.931 1.00 0.00 H new ATOM 0 HB3 CYS A 236 -7.731 -0.354 -2.010 1.00 0.00 H new ATOM 694 N LEU A 237 -5.082 -1.928 -2.482 1.00 0.00 N ATOM 695 CA LEU A 237 -4.785 -3.344 -2.848 1.00 0.00 C ATOM 696 C LEU A 237 -3.703 -3.904 -1.923 1.00 0.00 C ATOM 697 O LEU A 237 -3.695 -5.076 -1.607 1.00 0.00 O ATOM 698 CB LEU A 237 -4.307 -3.418 -4.300 1.00 0.00 C ATOM 699 CG LEU A 237 -5.360 -2.799 -5.223 1.00 0.00 C ATOM 700 CD1 LEU A 237 -4.959 -3.031 -6.680 1.00 0.00 C ATOM 701 CD2 LEU A 237 -6.720 -3.453 -4.963 1.00 0.00 C ATOM 0 H LEU A 237 -4.898 -1.241 -3.213 1.00 0.00 H new ATOM 0 HA LEU A 237 -5.694 -3.936 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 237 -3.359 -2.890 -4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 237 -4.128 -4.456 -4.581 1.00 0.00 H new ATOM 0 HG LEU A 237 -5.427 -1.729 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 237 -5.708 -2.591 -7.338 1.00 0.00 H new ATOM 0 HD12 LEU A 237 -3.991 -2.566 -6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 237 -4.891 -4.102 -6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 237 -7.468 -3.011 -5.621 1.00 0.00 H new ATOM 0 HD22 LEU A 237 -6.652 -4.523 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 237 -7.009 -3.291 -3.925 1.00 0.00 H new