USER MOD reduce.3.24.130724 H: found=0, std=0, add=294, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 289 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 220 THR OG1 : rot 133:sc= -0.349! USER MOD Set 1.2: A 222 HIS : no HD1:sc= -3.11! C(o=-3.5!,f=-11!) USER MOD Set 2.1: A 204 CYS SG : rot 155:sc= -1.6! USER MOD Set 2.2: A 207 CYS SG : rot -58:sc= -3.19! USER MOD Set 2.3: A 225 CYS SG : rot -139:sc= 0.178 USER MOD Set 2.4: A 228 CYS SG : rot 93:sc= 0.317 USER MOD Single : A 206 ASN : amide:sc= -3.86! C(o=-3.9!,f=-4.3!) USER MOD Single : A 210 THR OG1 : rot 180:sc=-0.00637 USER MOD Single : A 212 THR OG1 : rot -122:sc= -1.36! USER MOD Single : A 223 TYR OH : rot 180:sc= -1.89 USER MOD Single : A 226 ASN : amide:sc= -0.124 K(o=-0.12,f=-2.8!) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 232 HIS :FLIP no HE2:sc= -1.16 F(o=-3.1!,f=-1.2) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 ASN : amide:sc= -0.0727 K(o=-0.073,f=-0.99) USER MOD Single : A 237 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 238 ASN : amide:sc= -0.148 K(o=-0.15,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 36 N ALA A 201 -2.410 -14.158 -1.954 1.00 1.00 N ATOM 37 CA ALA A 201 -2.419 -12.783 -1.379 1.00 1.00 C ATOM 38 C ALA A 201 -1.962 -11.763 -2.428 1.00 1.00 C ATOM 39 O ALA A 201 -1.250 -12.089 -3.357 1.00 1.00 O ATOM 40 CB ALA A 201 -1.431 -12.836 -0.212 1.00 1.00 C ATOM 0 HA ALA A 201 -3.414 -12.477 -1.057 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -1.380 -11.858 0.266 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -1.765 -13.578 0.514 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -0.444 -13.110 -0.583 1.00 1.00 H new ATOM 46 N ARG A 202 -2.365 -10.530 -2.284 1.00 1.00 N ATOM 47 CA ARG A 202 -1.956 -9.487 -3.270 1.00 1.00 C ATOM 48 C ARG A 202 -0.511 -9.051 -3.011 1.00 1.00 C ATOM 49 O ARG A 202 0.136 -9.524 -2.098 1.00 1.00 O ATOM 50 CB ARG A 202 -2.916 -8.322 -3.031 1.00 1.00 C ATOM 51 CG ARG A 202 -4.358 -8.823 -3.106 1.00 1.00 C ATOM 52 CD ARG A 202 -4.562 -9.602 -4.407 1.00 1.00 C ATOM 53 NE ARG A 202 -6.037 -9.758 -4.536 1.00 1.00 N ATOM 54 CZ ARG A 202 -6.571 -9.954 -5.709 1.00 1.00 C ATOM 55 NH1 ARG A 202 -6.428 -11.107 -6.305 1.00 1.00 N ATOM 56 NH2 ARG A 202 -7.250 -9.001 -6.286 1.00 1.00 N ATOM 0 H ARG A 202 -2.961 -10.199 -1.525 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.999 -9.850 -4.297 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -2.726 -7.875 -2.055 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.752 -7.543 -3.776 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -4.577 -9.461 -2.250 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -5.049 -7.981 -3.062 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -4.146 -9.064 -5.259 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -4.065 -10.571 -4.369 1.00 1.00 H new ATOM 0 HE ARG A 202 -6.629 -9.712 -3.707 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -5.899 -11.853 -5.853 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -6.845 -11.262 -7.223 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -7.364 -8.101 -5.819 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -7.667 -9.156 -7.204 1.00 1.00 H new ATOM 70 N GLU A 203 -0.002 -8.152 -3.808 1.00 1.00 N ATOM 71 CA GLU A 203 1.401 -7.683 -3.607 1.00 1.00 C ATOM 72 C GLU A 203 1.423 -6.164 -3.412 1.00 1.00 C ATOM 73 O GLU A 203 1.075 -5.410 -4.299 1.00 1.00 O ATOM 74 CB GLU A 203 2.138 -8.071 -4.890 1.00 1.00 C ATOM 75 CG GLU A 203 3.463 -8.746 -4.531 1.00 1.00 C ATOM 76 CD GLU A 203 4.625 -7.799 -4.841 1.00 1.00 C ATOM 77 OE1 GLU A 203 4.368 -6.726 -5.363 1.00 1.00 O ATOM 78 OE2 GLU A 203 5.752 -8.162 -4.550 1.00 1.00 O ATOM 0 H GLU A 203 -0.496 -7.721 -4.590 1.00 1.00 H new ATOM 0 HA GLU A 203 1.864 -8.125 -2.725 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.523 -8.746 -5.486 1.00 1.00 H new ATOM 0 HB3 GLU A 203 2.321 -7.186 -5.499 1.00 1.00 H new ATOM 0 HG2 GLU A 203 3.471 -9.014 -3.474 1.00 1.00 H new ATOM 0 HG3 GLU A 203 3.575 -9.672 -5.095 1.00 1.00 H new ATOM 85 N CYS A 204 1.828 -5.709 -2.259 1.00 1.00 N ATOM 86 CA CYS A 204 1.870 -4.244 -2.010 1.00 1.00 C ATOM 87 C CYS A 204 2.614 -3.530 -3.135 1.00 1.00 C ATOM 88 O CYS A 204 3.814 -3.656 -3.279 1.00 1.00 O ATOM 89 CB CYS A 204 2.629 -4.094 -0.697 1.00 1.00 C ATOM 90 SG CYS A 204 2.563 -2.375 -0.152 1.00 1.00 S ATOM 0 H CYS A 204 2.132 -6.291 -1.478 1.00 1.00 H new ATOM 0 HA CYS A 204 0.872 -3.807 -1.965 1.00 1.00 H new ATOM 0 HB2 CYS A 204 2.194 -4.744 0.062 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.666 -4.405 -0.827 1.00 1.00 H new ATOM 0 HG CYS A 204 2.705 -2.323 1.139 1.00 1.00 H new ATOM 95 N VAL A 205 1.914 -2.773 -3.927 1.00 1.00 N ATOM 96 CA VAL A 205 2.582 -2.039 -5.036 1.00 1.00 C ATOM 97 C VAL A 205 3.793 -1.262 -4.505 1.00 1.00 C ATOM 98 O VAL A 205 4.662 -0.863 -5.254 1.00 1.00 O ATOM 99 CB VAL A 205 1.515 -1.077 -5.557 1.00 1.00 C ATOM 100 CG1 VAL A 205 0.447 -1.864 -6.316 1.00 1.00 C ATOM 101 CG2 VAL A 205 0.867 -0.351 -4.374 1.00 1.00 C ATOM 0 H VAL A 205 0.907 -2.629 -3.856 1.00 1.00 H new ATOM 0 HA VAL A 205 2.953 -2.706 -5.814 1.00 1.00 H new ATOM 0 HB VAL A 205 1.975 -0.350 -6.226 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.314 -1.179 -6.688 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.907 -2.385 -7.155 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -0.014 -2.590 -5.647 1.00 1.00 H new ATOM 0 HG21 VAL A 205 0.105 0.336 -4.742 1.00 1.00 H new ATOM 0 HG22 VAL A 205 0.406 -1.080 -3.708 1.00 1.00 H new ATOM 0 HG23 VAL A 205 1.628 0.208 -3.829 1.00 1.00 H new ATOM 111 N ASN A 206 3.844 -1.023 -3.219 1.00 1.00 N ATOM 112 CA ASN A 206 4.985 -0.250 -2.649 1.00 1.00 C ATOM 113 C ASN A 206 6.114 -1.165 -2.161 1.00 1.00 C ATOM 114 O ASN A 206 7.245 -1.035 -2.586 1.00 1.00 O ATOM 115 CB ASN A 206 4.386 0.526 -1.476 1.00 1.00 C ATOM 116 CG ASN A 206 3.888 1.886 -1.965 1.00 1.00 C ATOM 117 OD1 ASN A 206 3.851 2.839 -1.212 1.00 1.00 O ATOM 118 ND2 ASN A 206 3.503 2.019 -3.204 1.00 1.00 N ATOM 0 H ASN A 206 3.146 -1.330 -2.542 1.00 1.00 H new ATOM 0 HA ASN A 206 5.434 0.399 -3.401 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.563 -0.037 -1.036 1.00 1.00 H new ATOM 0 HB3 ASN A 206 5.134 0.660 -0.695 1.00 1.00 H new ATOM 0 HD21 ASN A 206 3.171 2.923 -3.541 1.00 1.00 H new ATOM 0 HD22 ASN A 206 3.534 1.219 -3.836 1.00 1.00 H new ATOM 125 N CYS A 207 5.844 -2.063 -1.249 1.00 1.00 N ATOM 126 CA CYS A 207 6.938 -2.928 -0.738 1.00 1.00 C ATOM 127 C CYS A 207 6.698 -4.412 -1.072 1.00 1.00 C ATOM 128 O CYS A 207 7.501 -5.261 -0.743 1.00 1.00 O ATOM 129 CB CYS A 207 6.952 -2.661 0.771 1.00 1.00 C ATOM 130 SG CYS A 207 5.653 -3.603 1.607 1.00 1.00 S ATOM 0 H CYS A 207 4.924 -2.231 -0.843 1.00 1.00 H new ATOM 0 HA CYS A 207 7.900 -2.703 -1.199 1.00 1.00 H new ATOM 0 HB2 CYS A 207 7.924 -2.931 1.183 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.811 -1.596 0.957 1.00 1.00 H new ATOM 0 HG CYS A 207 4.496 -3.286 1.106 1.00 1.00 H new ATOM 135 N GLY A 208 5.624 -4.726 -1.748 1.00 1.00 N ATOM 136 CA GLY A 208 5.365 -6.150 -2.131 1.00 1.00 C ATOM 137 C GLY A 208 4.887 -6.959 -0.921 1.00 1.00 C ATOM 138 O GLY A 208 4.762 -8.166 -0.978 1.00 1.00 O ATOM 0 H GLY A 208 4.914 -4.060 -2.052 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.614 -6.189 -2.920 1.00 1.00 H new ATOM 0 HA3 GLY A 208 6.275 -6.594 -2.535 1.00 1.00 H new ATOM 142 N ALA A 209 4.620 -6.305 0.166 1.00 1.00 N ATOM 143 CA ALA A 209 4.147 -7.024 1.379 1.00 1.00 C ATOM 144 C ALA A 209 3.023 -7.998 1.015 1.00 1.00 C ATOM 145 O ALA A 209 1.945 -7.596 0.625 1.00 1.00 O ATOM 146 CB ALA A 209 3.630 -5.922 2.302 1.00 1.00 C ATOM 0 H ALA A 209 4.709 -5.294 0.271 1.00 1.00 H new ATOM 0 HA ALA A 209 4.933 -7.617 1.847 1.00 1.00 H new ATOM 0 HB1 ALA A 209 3.260 -6.366 3.226 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.440 -5.229 2.531 1.00 1.00 H new ATOM 0 HB3 ALA A 209 2.821 -5.384 1.808 1.00 1.00 H new ATOM 152 N THR A 210 3.266 -9.273 1.140 1.00 1.00 N ATOM 153 CA THR A 210 2.210 -10.271 0.803 1.00 1.00 C ATOM 154 C THR A 210 1.606 -10.851 2.083 1.00 1.00 C ATOM 155 O THR A 210 0.685 -11.642 2.044 1.00 1.00 O ATOM 156 CB THR A 210 2.929 -11.361 0.008 1.00 1.00 C ATOM 157 OG1 THR A 210 3.774 -10.759 -0.962 1.00 1.00 O ATOM 158 CG2 THR A 210 1.900 -12.252 -0.690 1.00 1.00 C ATOM 0 H THR A 210 4.150 -9.668 1.461 1.00 1.00 H new ATOM 0 HA THR A 210 1.391 -9.829 0.236 1.00 1.00 H new ATOM 0 HB THR A 210 3.529 -11.968 0.686 1.00 1.00 H new ATOM 0 HG1 THR A 210 4.237 -11.457 -1.471 1.00 1.00 H new ATOM 0 HG21 THR A 210 2.415 -13.028 -1.256 1.00 1.00 H new ATOM 0 HG22 THR A 210 1.254 -12.715 0.056 1.00 1.00 H new ATOM 0 HG23 THR A 210 1.297 -11.649 -1.368 1.00 1.00 H new ATOM 166 N ALA A 211 2.117 -10.461 3.220 1.00 1.00 N ATOM 167 CA ALA A 211 1.571 -10.988 4.503 1.00 1.00 C ATOM 168 C ALA A 211 0.960 -9.847 5.320 1.00 1.00 C ATOM 169 O ALA A 211 1.256 -9.676 6.485 1.00 1.00 O ATOM 170 CB ALA A 211 2.774 -11.587 5.233 1.00 1.00 C ATOM 0 H ALA A 211 2.888 -9.801 3.315 1.00 1.00 H new ATOM 0 HA ALA A 211 0.784 -11.726 4.346 1.00 1.00 H new ATOM 0 HB1 ALA A 211 2.452 -11.997 6.190 1.00 1.00 H new ATOM 0 HB2 ALA A 211 3.209 -12.381 4.626 1.00 1.00 H new ATOM 0 HB3 ALA A 211 3.520 -10.810 5.404 1.00 1.00 H new ATOM 176 N THR A 212 0.111 -9.062 4.714 1.00 1.00 N ATOM 177 CA THR A 212 -0.518 -7.930 5.453 1.00 1.00 C ATOM 178 C THR A 212 -1.857 -8.368 6.049 1.00 1.00 C ATOM 179 O THR A 212 -2.516 -9.242 5.524 1.00 1.00 O ATOM 180 CB THR A 212 -0.729 -6.840 4.400 1.00 1.00 C ATOM 181 OG1 THR A 212 -1.365 -5.721 5.000 1.00 1.00 O ATOM 182 CG2 THR A 212 -1.603 -7.381 3.270 1.00 1.00 C ATOM 0 H THR A 212 -0.174 -9.156 3.739 1.00 1.00 H new ATOM 0 HA THR A 212 0.099 -7.582 6.282 1.00 1.00 H new ATOM 0 HB THR A 212 0.236 -6.535 3.994 1.00 1.00 H new ATOM 0 HG1 THR A 212 -2.208 -5.536 4.536 1.00 1.00 H new ATOM 0 HG21 THR A 212 -1.752 -6.603 2.521 1.00 1.00 H new ATOM 0 HG22 THR A 212 -1.113 -8.239 2.810 1.00 1.00 H new ATOM 0 HG23 THR A 212 -2.569 -7.688 3.672 1.00 1.00 H new ATOM 190 N PRO A 213 -2.211 -7.738 7.136 1.00 1.00 N ATOM 191 CA PRO A 213 -3.484 -8.059 7.824 1.00 1.00 C ATOM 192 C PRO A 213 -4.677 -7.492 7.047 1.00 1.00 C ATOM 193 O PRO A 213 -5.810 -7.861 7.280 1.00 1.00 O ATOM 194 CB PRO A 213 -3.342 -7.371 9.178 1.00 1.00 C ATOM 195 CG PRO A 213 -2.365 -6.258 8.952 1.00 1.00 C ATOM 196 CD PRO A 213 -1.462 -6.677 7.819 1.00 1.00 C ATOM 0 HA PRO A 213 -3.663 -9.131 7.910 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -4.301 -6.988 9.528 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -2.980 -8.065 9.936 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -2.886 -5.333 8.706 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -1.785 -6.066 9.855 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -1.251 -5.844 7.149 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -0.503 -7.040 8.188 1.00 1.00 H new ATOM 204 N LEU A 214 -4.432 -6.601 6.126 1.00 1.00 N ATOM 205 CA LEU A 214 -5.560 -6.016 5.341 1.00 1.00 C ATOM 206 C LEU A 214 -5.024 -5.175 4.179 1.00 1.00 C ATOM 207 O LEU A 214 -4.098 -4.404 4.333 1.00 1.00 O ATOM 208 CB LEU A 214 -6.316 -5.134 6.337 1.00 1.00 C ATOM 209 CG LEU A 214 -7.724 -4.862 5.810 1.00 1.00 C ATOM 210 CD1 LEU A 214 -8.610 -6.081 6.069 1.00 1.00 C ATOM 211 CD2 LEU A 214 -8.310 -3.645 6.531 1.00 1.00 C ATOM 0 H LEU A 214 -3.505 -6.253 5.882 1.00 1.00 H new ATOM 0 HA LEU A 214 -6.199 -6.783 4.904 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -6.368 -5.626 7.308 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -5.783 -4.194 6.484 1.00 1.00 H new ATOM 0 HG LEU A 214 -7.680 -4.666 4.739 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -9.615 -5.887 5.693 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -8.193 -6.949 5.559 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -8.655 -6.277 7.140 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -9.315 -3.449 6.156 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -8.354 -3.843 7.602 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -7.679 -2.775 6.349 1.00 1.00 H new ATOM 223 N TRP A 215 -5.603 -5.317 3.017 1.00 1.00 N ATOM 224 CA TRP A 215 -5.130 -4.525 1.847 1.00 1.00 C ATOM 225 C TRP A 215 -6.012 -3.285 1.664 1.00 1.00 C ATOM 226 O TRP A 215 -7.160 -3.264 2.061 1.00 1.00 O ATOM 227 CB TRP A 215 -5.279 -5.466 0.651 1.00 1.00 C ATOM 228 CG TRP A 215 -4.264 -6.561 0.743 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.434 -7.721 1.417 1.00 1.00 C ATOM 230 CD2 TRP A 215 -2.933 -6.622 0.151 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.294 -8.489 1.279 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.339 -7.856 0.507 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.191 -5.736 -0.652 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -1.055 -8.199 0.083 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -0.898 -6.079 -1.081 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.332 -7.307 -0.713 1.00 1.00 C ATOM 0 H TRP A 215 -6.383 -5.947 2.828 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.105 -4.175 1.967 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.284 -5.889 0.631 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.148 -4.912 -0.279 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.317 -8.001 1.972 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.172 -9.412 1.697 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.618 -4.787 -0.940 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -0.623 -9.147 0.368 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.337 -5.392 -1.698 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.663 -7.564 -1.045 1.00 1.00 H new ATOM 247 N ARG A 216 -5.487 -2.253 1.061 1.00 1.00 N ATOM 248 CA ARG A 216 -6.300 -1.021 0.851 1.00 1.00 C ATOM 249 C ARG A 216 -5.899 -0.342 -0.461 1.00 1.00 C ATOM 250 O ARG A 216 -4.762 0.043 -0.648 1.00 1.00 O ATOM 251 CB ARG A 216 -5.973 -0.118 2.042 1.00 1.00 C ATOM 252 CG ARG A 216 -7.235 0.627 2.482 1.00 1.00 C ATOM 253 CD ARG A 216 -7.763 1.476 1.322 1.00 1.00 C ATOM 254 NE ARG A 216 -8.681 2.465 1.953 1.00 1.00 N ATOM 255 CZ ARG A 216 -9.908 2.128 2.240 1.00 1.00 C ATOM 256 NH1 ARG A 216 -10.690 1.654 1.310 1.00 1.00 N ATOM 257 NH2 ARG A 216 -10.355 2.265 3.460 1.00 1.00 N ATOM 0 H ARG A 216 -4.532 -2.210 0.705 1.00 1.00 H new ATOM 0 HA ARG A 216 -7.366 -1.238 0.786 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -5.584 -0.714 2.867 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -5.195 0.594 1.769 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -7.997 -0.085 2.801 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -7.014 1.263 3.339 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -6.949 1.974 0.795 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -8.288 0.862 0.590 1.00 1.00 H new ATOM 0 HE ARG A 216 -8.350 3.407 2.161 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -10.342 1.546 0.357 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -11.649 1.391 1.536 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -9.744 2.636 4.188 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -11.315 2.001 3.684 1.00 1.00 H new ATOM 271 N ARG A 217 -6.821 -0.195 -1.372 1.00 1.00 N ATOM 272 CA ARG A 217 -6.488 0.457 -2.668 1.00 1.00 C ATOM 273 C ARG A 217 -6.709 1.968 -2.566 1.00 1.00 C ATOM 274 O ARG A 217 -7.375 2.449 -1.673 1.00 1.00 O ATOM 275 CB ARG A 217 -7.451 -0.159 -3.684 1.00 1.00 C ATOM 276 CG ARG A 217 -7.541 -1.673 -3.467 1.00 1.00 C ATOM 277 CD ARG A 217 -8.984 -2.057 -3.130 1.00 1.00 C ATOM 278 NE ARG A 217 -9.555 -2.569 -4.407 1.00 1.00 N ATOM 279 CZ ARG A 217 -10.495 -3.473 -4.388 1.00 1.00 C ATOM 280 NH1 ARG A 217 -10.354 -4.549 -3.663 1.00 1.00 N ATOM 281 NH2 ARG A 217 -11.581 -3.302 -5.092 1.00 1.00 N ATOM 0 H ARG A 217 -7.790 -0.498 -1.274 1.00 1.00 H new ATOM 0 HA ARG A 217 -5.447 0.304 -2.953 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -8.438 0.291 -3.581 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.108 0.052 -4.697 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -7.214 -2.199 -4.364 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -6.875 -1.975 -2.659 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -9.018 -2.817 -2.350 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -9.546 -1.198 -2.763 1.00 1.00 H new ATOM 0 HE ARG A 217 -9.210 -2.212 -5.298 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -9.508 -4.684 -3.110 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -11.090 -5.255 -3.649 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -11.695 -2.461 -5.658 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -12.316 -4.010 -5.076 1.00 1.00 H new ATOM 295 N ASP A 218 -6.148 2.719 -3.473 1.00 1.00 N ATOM 296 CA ASP A 218 -6.315 4.196 -3.431 1.00 1.00 C ATOM 297 C ASP A 218 -6.777 4.714 -4.796 1.00 1.00 C ATOM 298 O ASP A 218 -7.262 3.966 -5.622 1.00 1.00 O ATOM 299 CB ASP A 218 -4.925 4.739 -3.095 1.00 1.00 C ATOM 300 CG ASP A 218 -3.858 3.961 -3.871 1.00 1.00 C ATOM 301 OD1 ASP A 218 -4.214 3.321 -4.847 1.00 1.00 O ATOM 302 OD2 ASP A 218 -2.705 4.021 -3.477 1.00 1.00 O ATOM 0 H ASP A 218 -5.579 2.370 -4.244 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.063 4.508 -2.703 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -4.869 5.798 -3.346 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -4.742 4.655 -2.024 1.00 1.00 H new ATOM 307 N ARG A 219 -6.627 5.986 -5.039 1.00 1.00 N ATOM 308 CA ARG A 219 -7.054 6.555 -6.350 1.00 1.00 C ATOM 309 C ARG A 219 -6.486 5.724 -7.500 1.00 1.00 C ATOM 310 O ARG A 219 -7.079 5.615 -8.554 1.00 1.00 O ATOM 311 CB ARG A 219 -6.455 7.958 -6.383 1.00 1.00 C ATOM 312 CG ARG A 219 -7.575 8.991 -6.498 1.00 1.00 C ATOM 313 CD ARG A 219 -8.367 9.037 -5.188 1.00 1.00 C ATOM 314 NE ARG A 219 -9.613 9.784 -5.515 1.00 1.00 N ATOM 315 CZ ARG A 219 -10.073 10.680 -4.685 1.00 1.00 C ATOM 316 NH1 ARG A 219 -10.174 10.402 -3.415 1.00 1.00 N ATOM 317 NH2 ARG A 219 -10.434 11.853 -5.128 1.00 1.00 N ATOM 0 H ARG A 219 -6.226 6.659 -4.385 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.139 6.561 -6.458 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -5.873 8.137 -5.479 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -5.771 8.053 -7.227 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -7.156 9.973 -6.716 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -8.236 8.735 -7.326 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -8.592 8.033 -4.828 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -7.801 9.538 -4.403 1.00 1.00 H new ATOM 0 HE ARG A 219 -10.107 9.595 -6.387 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -9.893 9.484 -3.070 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -10.534 11.103 -2.767 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -10.357 12.069 -6.122 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -10.794 12.554 -4.480 1.00 1.00 H new ATOM 331 N THR A 220 -5.332 5.148 -7.309 1.00 1.00 N ATOM 332 CA THR A 220 -4.721 4.340 -8.397 1.00 1.00 C ATOM 333 C THR A 220 -5.167 2.878 -8.297 1.00 1.00 C ATOM 334 O THR A 220 -4.648 2.012 -8.973 1.00 1.00 O ATOM 335 CB THR A 220 -3.215 4.476 -8.180 1.00 1.00 C ATOM 336 OG1 THR A 220 -2.898 4.124 -6.839 1.00 1.00 O ATOM 337 CG2 THR A 220 -2.797 5.924 -8.446 1.00 1.00 C ATOM 0 H THR A 220 -4.788 5.202 -6.448 1.00 1.00 H new ATOM 0 HA THR A 220 -5.020 4.680 -9.388 1.00 1.00 H new ATOM 0 HB THR A 220 -2.682 3.813 -8.862 1.00 1.00 H new ATOM 0 HG1 THR A 220 -2.127 3.519 -6.833 1.00 1.00 H new ATOM 0 HG21 THR A 220 -1.723 6.027 -8.292 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.044 6.191 -9.474 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.326 6.587 -7.762 1.00 1.00 H new ATOM 345 N GLY A 221 -6.133 2.601 -7.466 1.00 1.00 N ATOM 346 CA GLY A 221 -6.628 1.202 -7.326 1.00 1.00 C ATOM 347 C GLY A 221 -5.465 0.254 -7.031 1.00 1.00 C ATOM 348 O GLY A 221 -5.461 -0.885 -7.454 1.00 1.00 O ATOM 0 H GLY A 221 -6.603 3.286 -6.875 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.363 1.148 -6.523 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -7.133 0.895 -8.242 1.00 1.00 H new ATOM 352 N HIS A 222 -4.479 0.704 -6.302 1.00 1.00 N ATOM 353 CA HIS A 222 -3.331 -0.191 -5.982 1.00 1.00 C ATOM 354 C HIS A 222 -3.674 -1.054 -4.763 1.00 1.00 C ATOM 355 O HIS A 222 -4.821 -1.163 -4.376 1.00 1.00 O ATOM 356 CB HIS A 222 -2.161 0.745 -5.676 1.00 1.00 C ATOM 357 CG HIS A 222 -1.519 1.181 -6.964 1.00 1.00 C ATOM 358 ND1 HIS A 222 -1.114 2.488 -7.183 1.00 1.00 N ATOM 359 CD2 HIS A 222 -1.207 0.496 -8.112 1.00 1.00 C ATOM 360 CE1 HIS A 222 -0.586 2.548 -8.420 1.00 1.00 C ATOM 361 NE2 HIS A 222 -0.619 1.361 -9.030 1.00 1.00 N ATOM 0 H HIS A 222 -4.419 1.647 -5.917 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.091 -0.871 -6.800 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.512 1.614 -5.120 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.430 0.238 -5.046 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.390 -0.555 -8.278 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -0.185 3.447 -8.865 1.00 1.00 H new ATOM 0 HE2 HIS A 222 -0.285 1.136 -9.967 1.00 1.00 H new ATOM 369 N TYR A 223 -2.698 -1.678 -4.160 1.00 1.00 N ATOM 370 CA TYR A 223 -2.988 -2.535 -2.979 1.00 1.00 C ATOM 371 C TYR A 223 -1.875 -2.413 -1.932 1.00 1.00 C ATOM 372 O TYR A 223 -1.144 -3.350 -1.685 1.00 1.00 O ATOM 373 CB TYR A 223 -3.029 -3.952 -3.539 1.00 1.00 C ATOM 374 CG TYR A 223 -4.439 -4.298 -3.949 1.00 1.00 C ATOM 375 CD1 TYR A 223 -5.498 -4.108 -3.052 1.00 1.00 C ATOM 376 CD2 TYR A 223 -4.691 -4.811 -5.228 1.00 1.00 C ATOM 377 CE1 TYR A 223 -6.806 -4.429 -3.433 1.00 1.00 C ATOM 378 CE2 TYR A 223 -5.999 -5.133 -5.609 1.00 1.00 C ATOM 379 CZ TYR A 223 -7.056 -4.941 -4.711 1.00 1.00 C ATOM 380 OH TYR A 223 -8.346 -5.260 -5.085 1.00 1.00 O ATOM 0 H TYR A 223 -1.717 -1.631 -4.434 1.00 1.00 H new ATOM 0 HA TYR A 223 -3.916 -2.251 -2.483 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.361 -4.034 -4.396 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.674 -4.660 -2.790 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -5.305 -3.713 -2.065 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -3.876 -4.958 -5.921 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -7.622 -4.282 -2.741 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -6.193 -5.529 -6.595 1.00 1.00 H new ATOM 0 HH TYR A 223 -8.345 -5.602 -6.003 1.00 1.00 H new ATOM 390 N LEU A 224 -1.745 -1.274 -1.307 1.00 1.00 N ATOM 391 CA LEU A 224 -0.679 -1.123 -0.273 1.00 1.00 C ATOM 392 C LEU A 224 -0.913 -2.123 0.861 1.00 1.00 C ATOM 393 O LEU A 224 -1.966 -2.719 0.966 1.00 1.00 O ATOM 394 CB LEU A 224 -0.810 0.312 0.240 1.00 1.00 C ATOM 395 CG LEU A 224 -0.341 1.286 -0.838 1.00 1.00 C ATOM 396 CD1 LEU A 224 -1.002 2.649 -0.621 1.00 1.00 C ATOM 397 CD2 LEU A 224 1.180 1.441 -0.755 1.00 1.00 C ATOM 0 H LEU A 224 -2.324 -0.449 -1.465 1.00 1.00 H new ATOM 0 HA LEU A 224 0.316 -1.315 -0.674 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -1.846 0.520 0.507 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -0.216 0.441 1.145 1.00 1.00 H new ATOM 0 HG LEU A 224 -0.618 0.901 -1.819 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -0.666 3.343 -1.391 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -2.085 2.541 -0.677 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.726 3.035 0.360 1.00 1.00 H new ATOM 0 HD21 LEU A 224 1.517 2.136 -1.524 1.00 1.00 H new ATOM 0 HD22 LEU A 224 1.453 1.826 0.227 1.00 1.00 H new ATOM 0 HD23 LEU A 224 1.653 0.471 -0.909 1.00 1.00 H new ATOM 409 N CYS A 225 0.059 -2.313 1.707 1.00 1.00 N ATOM 410 CA CYS A 225 -0.109 -3.277 2.830 1.00 1.00 C ATOM 411 C CYS A 225 -0.370 -2.524 4.137 1.00 1.00 C ATOM 412 O CYS A 225 0.235 -2.799 5.154 1.00 1.00 O ATOM 413 CB CYS A 225 1.215 -4.040 2.896 1.00 1.00 C ATOM 414 SG CYS A 225 2.508 -2.961 3.561 1.00 1.00 S ATOM 0 H CYS A 225 0.963 -1.843 1.670 1.00 1.00 H new ATOM 0 HA CYS A 225 -0.955 -3.948 2.680 1.00 1.00 H new ATOM 0 HB2 CYS A 225 1.106 -4.923 3.525 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.495 -4.389 1.902 1.00 1.00 H new ATOM 0 HG CYS A 225 3.609 -3.142 2.894 1.00 1.00 H new ATOM 419 N ASN A 226 -1.266 -1.572 4.116 1.00 1.00 N ATOM 420 CA ASN A 226 -1.568 -0.796 5.356 1.00 1.00 C ATOM 421 C ASN A 226 -0.397 0.127 5.706 1.00 1.00 C ATOM 422 O ASN A 226 -0.504 1.335 5.634 1.00 1.00 O ATOM 423 CB ASN A 226 -1.769 -1.845 6.454 1.00 1.00 C ATOM 424 CG ASN A 226 -2.649 -1.265 7.560 1.00 1.00 C ATOM 425 OD1 ASN A 226 -3.223 -0.205 7.405 1.00 1.00 O ATOM 426 ND2 ASN A 226 -2.780 -1.918 8.683 1.00 1.00 N ATOM 0 H ASN A 226 -1.802 -1.298 3.293 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.447 -0.163 5.235 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -2.233 -2.739 6.037 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -0.805 -2.148 6.863 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -3.363 -1.538 9.429 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -2.299 -2.808 8.815 1.00 1.00 H new ATOM 433 N ALA A 227 0.719 -0.432 6.086 1.00 1.00 N ATOM 434 CA ALA A 227 1.895 0.414 6.444 1.00 1.00 C ATOM 435 C ALA A 227 2.195 1.411 5.324 1.00 1.00 C ATOM 436 O ALA A 227 2.272 2.604 5.545 1.00 1.00 O ATOM 437 CB ALA A 227 3.054 -0.569 6.610 1.00 1.00 C ATOM 0 H ALA A 227 0.868 -1.438 6.164 1.00 1.00 H new ATOM 0 HA ALA A 227 1.721 0.998 7.348 1.00 1.00 H new ATOM 0 HB1 ALA A 227 3.959 -0.023 6.875 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.816 -1.282 7.400 1.00 1.00 H new ATOM 0 HB3 ALA A 227 3.214 -1.104 5.674 1.00 1.00 H new ATOM 443 N CYS A 228 2.367 0.932 4.126 1.00 1.00 N ATOM 444 CA CYS A 228 2.666 1.849 2.991 1.00 1.00 C ATOM 445 C CYS A 228 1.461 2.749 2.700 1.00 1.00 C ATOM 446 O CYS A 228 1.574 3.755 2.027 1.00 1.00 O ATOM 447 CB CYS A 228 2.942 0.935 1.807 1.00 1.00 C ATOM 448 SG CYS A 228 4.413 -0.069 2.134 1.00 1.00 S ATOM 0 H CYS A 228 2.314 -0.057 3.882 1.00 1.00 H new ATOM 0 HA CYS A 228 3.508 2.506 3.207 1.00 1.00 H new ATOM 0 HB2 CYS A 228 2.083 0.289 1.627 1.00 1.00 H new ATOM 0 HB3 CYS A 228 3.089 1.529 0.905 1.00 1.00 H new ATOM 0 HG CYS A 228 4.057 -1.201 2.664 1.00 1.00 H new ATOM 453 N GLY A 229 0.307 2.392 3.196 1.00 1.00 N ATOM 454 CA GLY A 229 -0.902 3.227 2.941 1.00 1.00 C ATOM 455 C GLY A 229 -1.170 4.134 4.145 1.00 1.00 C ATOM 456 O GLY A 229 -2.068 4.953 4.130 1.00 1.00 O ATOM 0 H GLY A 229 0.149 1.560 3.765 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.756 3.830 2.045 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.765 2.587 2.757 1.00 1.00 H new ATOM 460 N LEU A 230 -0.399 3.999 5.191 1.00 1.00 N ATOM 461 CA LEU A 230 -0.615 4.858 6.392 1.00 1.00 C ATOM 462 C LEU A 230 -0.277 6.317 6.071 1.00 1.00 C ATOM 463 O LEU A 230 -0.961 7.230 6.486 1.00 1.00 O ATOM 464 CB LEU A 230 0.338 4.313 7.450 1.00 1.00 C ATOM 465 CG LEU A 230 -0.406 4.172 8.778 1.00 1.00 C ATOM 466 CD1 LEU A 230 0.571 3.732 9.870 1.00 1.00 C ATOM 467 CD2 LEU A 230 -1.024 5.519 9.159 1.00 1.00 C ATOM 0 H LEU A 230 0.370 3.333 5.266 1.00 1.00 H new ATOM 0 HA LEU A 230 -1.652 4.838 6.727 1.00 1.00 H new ATOM 0 HB2 LEU A 230 0.732 3.346 7.137 1.00 1.00 H new ATOM 0 HB3 LEU A 230 1.190 4.982 7.567 1.00 1.00 H new ATOM 0 HG LEU A 230 -1.193 3.425 8.675 1.00 1.00 H new ATOM 0 HD11 LEU A 230 0.039 3.632 10.816 1.00 1.00 H new ATOM 0 HD12 LEU A 230 1.012 2.773 9.599 1.00 1.00 H new ATOM 0 HD13 LEU A 230 1.360 4.477 9.975 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -1.555 5.421 10.106 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -0.236 6.265 9.261 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -1.722 5.832 8.382 1.00 1.00 H new ATOM 479 N TYR A 231 0.775 6.540 5.337 1.00 1.00 N ATOM 480 CA TYR A 231 1.162 7.940 4.992 1.00 1.00 C ATOM 481 C TYR A 231 0.108 8.576 4.081 1.00 1.00 C ATOM 482 O TYR A 231 -0.054 9.779 4.050 1.00 1.00 O ATOM 483 CB TYR A 231 2.495 7.806 4.256 1.00 1.00 C ATOM 484 CG TYR A 231 3.222 9.128 4.284 1.00 1.00 C ATOM 485 CD1 TYR A 231 2.960 10.092 3.303 1.00 1.00 C ATOM 486 CD2 TYR A 231 4.162 9.389 5.289 1.00 1.00 C ATOM 487 CE1 TYR A 231 3.635 11.318 3.328 1.00 1.00 C ATOM 488 CE2 TYR A 231 4.837 10.614 5.314 1.00 1.00 C ATOM 489 CZ TYR A 231 4.574 11.578 4.333 1.00 1.00 C ATOM 490 OH TYR A 231 5.241 12.786 4.358 1.00 1.00 O ATOM 0 H TYR A 231 1.386 5.815 4.960 1.00 1.00 H new ATOM 0 HA TYR A 231 1.241 8.576 5.874 1.00 1.00 H new ATOM 0 HB2 TYR A 231 3.105 7.034 4.725 1.00 1.00 H new ATOM 0 HB3 TYR A 231 2.324 7.495 3.225 1.00 1.00 H new ATOM 0 HD1 TYR A 231 2.237 9.890 2.527 1.00 1.00 H new ATOM 0 HD2 TYR A 231 4.366 8.645 6.045 1.00 1.00 H new ATOM 0 HE1 TYR A 231 3.432 12.063 2.573 1.00 1.00 H new ATOM 0 HE2 TYR A 231 5.561 10.816 6.090 1.00 1.00 H new ATOM 0 HH TYR A 231 5.856 12.804 5.121 1.00 1.00 H new ATOM 500 N HIS A 232 -0.607 7.779 3.333 1.00 1.00 N ATOM 501 CA HIS A 232 -1.640 8.337 2.419 1.00 1.00 C ATOM 502 C HIS A 232 -2.884 8.765 3.202 1.00 1.00 C ATOM 503 O HIS A 232 -3.486 9.782 2.922 1.00 1.00 O ATOM 504 CB HIS A 232 -1.978 7.197 1.460 1.00 1.00 C ATOM 505 CG HIS A 232 -2.689 7.750 0.256 1.00 1.00 C ATOM 506 ND1 HIS A 232 -2.236 8.454 -0.832 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -4.055 7.605 0.072 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -3.303 8.745 -1.679 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -4.374 8.210 -1.088 1.00 1.00 N flip ATOM 0 H HIS A 232 -0.518 6.763 3.317 1.00 1.00 H new ATOM 0 HA HIS A 232 -1.282 9.223 1.895 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -1.067 6.683 1.154 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -2.607 6.461 1.961 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -1.266 8.723 -0.995 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -4.739 7.099 0.737 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -3.271 9.287 -2.613 1.00 1.00 H new ATOM 517 N LYS A 233 -3.276 7.994 4.175 1.00 1.00 N ATOM 518 CA LYS A 233 -4.486 8.355 4.970 1.00 1.00 C ATOM 519 C LYS A 233 -4.170 9.496 5.941 1.00 1.00 C ATOM 520 O LYS A 233 -5.058 10.121 6.487 1.00 1.00 O ATOM 521 CB LYS A 233 -4.844 7.082 5.737 1.00 1.00 C ATOM 522 CG LYS A 233 -3.812 6.847 6.839 1.00 1.00 C ATOM 523 CD LYS A 233 -4.479 7.007 8.206 1.00 1.00 C ATOM 524 CE LYS A 233 -5.065 5.665 8.648 1.00 1.00 C ATOM 525 NZ LYS A 233 -5.040 5.708 10.137 1.00 1.00 N ATOM 0 H LYS A 233 -2.813 7.130 4.456 1.00 1.00 H new ATOM 0 HA LYS A 233 -5.305 8.700 4.339 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -5.840 7.173 6.170 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -4.868 6.230 5.058 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -3.386 5.848 6.745 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -2.990 7.555 6.739 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -3.752 7.357 8.939 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -5.266 7.760 8.153 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -6.080 5.535 8.273 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -4.475 4.831 8.267 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -5.427 4.820 10.516 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -4.060 5.826 10.464 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -5.615 6.507 10.471 1.00 1.00 H new ATOM 539 N MET A 234 -2.914 9.769 6.165 1.00 1.00 N ATOM 540 CA MET A 234 -2.549 10.869 7.105 1.00 1.00 C ATOM 541 C MET A 234 -2.300 12.167 6.336 1.00 1.00 C ATOM 542 O MET A 234 -2.977 13.157 6.530 1.00 1.00 O ATOM 543 CB MET A 234 -1.266 10.394 7.788 1.00 1.00 C ATOM 544 CG MET A 234 -1.623 9.565 9.023 1.00 1.00 C ATOM 545 SD MET A 234 -0.930 10.352 10.498 1.00 1.00 S ATOM 546 CE MET A 234 -2.184 11.644 10.673 1.00 1.00 C ATOM 0 H MET A 234 -2.126 9.280 5.740 1.00 1.00 H new ATOM 0 HA MET A 234 -3.342 11.077 7.823 1.00 1.00 H new ATOM 0 HB2 MET A 234 -0.672 9.797 7.096 1.00 1.00 H new ATOM 0 HB3 MET A 234 -0.656 11.250 8.075 1.00 1.00 H new ATOM 0 HG2 MET A 234 -2.706 9.481 9.117 1.00 1.00 H new ATOM 0 HG3 MET A 234 -1.232 8.553 8.920 1.00 1.00 H new ATOM 0 HE1 MET A 234 -1.951 12.262 11.540 1.00 1.00 H new ATOM 0 HE2 MET A 234 -2.195 12.264 9.777 1.00 1.00 H new ATOM 0 HE3 MET A 234 -3.163 11.185 10.808 1.00 1.00 H new ATOM 556 N ASN A 235 -1.329 12.169 5.468 1.00 1.00 N ATOM 557 CA ASN A 235 -1.029 13.404 4.685 1.00 1.00 C ATOM 558 C ASN A 235 -1.726 13.354 3.324 1.00 1.00 C ATOM 559 O ASN A 235 -2.102 14.370 2.772 1.00 1.00 O ATOM 560 CB ASN A 235 0.489 13.403 4.511 1.00 1.00 C ATOM 561 CG ASN A 235 1.138 14.142 5.681 1.00 1.00 C ATOM 562 OD1 ASN A 235 0.657 15.174 6.107 1.00 1.00 O ATOM 563 ND2 ASN A 235 2.223 13.657 6.223 1.00 1.00 N ATOM 0 H ASN A 235 -0.728 11.370 5.265 1.00 1.00 H new ATOM 0 HA ASN A 235 -1.382 14.305 5.186 1.00 1.00 H new ATOM 0 HB2 ASN A 235 0.859 12.379 4.464 1.00 1.00 H new ATOM 0 HB3 ASN A 235 0.758 13.883 3.570 1.00 1.00 H new ATOM 0 HD21 ASN A 235 2.665 14.144 7.002 1.00 1.00 H new ATOM 0 HD22 ASN A 235 2.628 12.791 5.867 1.00 1.00 H new ATOM 570 N GLY A 236 -1.904 12.184 2.780 1.00 1.00 N ATOM 571 CA GLY A 236 -2.577 12.071 1.460 1.00 1.00 C ATOM 572 C GLY A 236 -1.565 11.632 0.400 1.00 1.00 C ATOM 573 O GLY A 236 -1.923 11.060 -0.612 1.00 1.00 O ATOM 0 H GLY A 236 -1.611 11.299 3.195 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -3.393 11.351 1.518 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -3.017 13.029 1.182 1.00 1.00 H new ATOM 577 N GLN A 237 -0.307 11.896 0.617 1.00 1.00 N ATOM 578 CA GLN A 237 0.722 11.493 -0.385 1.00 1.00 C ATOM 579 C GLN A 237 0.970 9.983 -0.315 1.00 1.00 C ATOM 580 O GLN A 237 0.287 9.265 0.387 1.00 1.00 O ATOM 581 CB GLN A 237 1.981 12.264 0.009 1.00 1.00 C ATOM 582 CG GLN A 237 1.900 13.688 -0.545 1.00 1.00 C ATOM 583 CD GLN A 237 3.312 14.247 -0.726 1.00 1.00 C ATOM 584 OE1 GLN A 237 3.834 14.268 -1.824 1.00 1.00 O ATOM 585 NE2 GLN A 237 3.958 14.704 0.312 1.00 1.00 N ATOM 0 H GLN A 237 0.054 12.373 1.443 1.00 1.00 H new ATOM 0 HA GLN A 237 0.412 11.714 -1.406 1.00 1.00 H new ATOM 0 HB2 GLN A 237 2.080 12.289 1.094 1.00 1.00 H new ATOM 0 HB3 GLN A 237 2.866 11.760 -0.380 1.00 1.00 H new ATOM 0 HG2 GLN A 237 1.372 13.689 -1.499 1.00 1.00 H new ATOM 0 HG3 GLN A 237 1.331 14.322 0.135 1.00 1.00 H new ATOM 0 HE21 GLN A 237 3.520 14.687 1.233 1.00 1.00 H new ATOM 0 HE22 GLN A 237 4.900 15.079 0.202 1.00 1.00 H new ATOM 594 N ASN A 238 1.940 9.499 -1.042 1.00 1.00 N ATOM 595 CA ASN A 238 2.228 8.035 -1.019 1.00 1.00 C ATOM 596 C ASN A 238 3.416 7.741 -0.099 1.00 1.00 C ATOM 597 O ASN A 238 3.876 8.595 0.631 1.00 1.00 O ATOM 598 CB ASN A 238 2.570 7.678 -2.467 1.00 1.00 C ATOM 599 CG ASN A 238 1.281 7.383 -3.236 1.00 1.00 C ATOM 600 OD1 ASN A 238 0.244 7.155 -2.644 1.00 1.00 O ATOM 601 ND2 ASN A 238 1.301 7.378 -4.541 1.00 1.00 N ATOM 0 H ASN A 238 2.545 10.052 -1.650 1.00 1.00 H new ATOM 0 HA ASN A 238 1.386 7.455 -0.642 1.00 1.00 H new ATOM 0 HB2 ASN A 238 3.108 8.501 -2.939 1.00 1.00 H new ATOM 0 HB3 ASN A 238 3.229 6.810 -2.493 1.00 1.00 H new ATOM 0 HD21 ASN A 238 0.447 7.183 -5.063 1.00 1.00 H new ATOM 0 HD22 ASN A 238 2.171 7.569 -5.038 1.00 1.00 H new ATOM 608 N ARG A 239 3.913 6.535 -0.129 1.00 1.00 N ATOM 609 CA ARG A 239 5.069 6.181 0.745 1.00 1.00 C ATOM 610 C ARG A 239 6.322 5.942 -0.104 1.00 1.00 C ATOM 611 O ARG A 239 6.312 5.129 -1.009 1.00 1.00 O ATOM 612 CB ARG A 239 4.650 4.889 1.448 1.00 1.00 C ATOM 613 CG ARG A 239 4.011 5.225 2.797 1.00 1.00 C ATOM 614 CD ARG A 239 5.107 5.434 3.844 1.00 1.00 C ATOM 615 NE ARG A 239 5.693 4.083 4.063 1.00 1.00 N ATOM 616 CZ ARG A 239 5.528 3.475 5.207 1.00 1.00 C ATOM 617 NH1 ARG A 239 5.648 4.140 6.323 1.00 1.00 N ATOM 618 NH2 ARG A 239 5.243 2.203 5.231 1.00 1.00 N ATOM 0 H ARG A 239 3.569 5.779 -0.721 1.00 1.00 H new ATOM 0 HA ARG A 239 5.309 6.975 1.452 1.00 1.00 H new ATOM 0 HB2 ARG A 239 3.944 4.337 0.827 1.00 1.00 H new ATOM 0 HB3 ARG A 239 5.517 4.245 1.595 1.00 1.00 H new ATOM 0 HG2 ARG A 239 3.402 6.124 2.709 1.00 1.00 H new ATOM 0 HG3 ARG A 239 3.346 4.419 3.107 1.00 1.00 H new ATOM 0 HD2 ARG A 239 5.860 6.139 3.492 1.00 1.00 H new ATOM 0 HD3 ARG A 239 4.697 5.841 4.768 1.00 1.00 H new ATOM 0 HE ARG A 239 6.224 3.632 3.318 1.00 1.00 H new ATOM 0 HH11 ARG A 239 5.871 5.135 6.302 1.00 1.00 H new ATOM 0 HH12 ARG A 239 5.519 3.665 7.216 1.00 1.00 H new ATOM 0 HH21 ARG A 239 5.149 1.685 4.357 1.00 1.00 H new ATOM 0 HH22 ARG A 239 5.114 1.726 6.123 1.00 1.00 H new