USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 483 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 Single : A 12 ASN : amide:sc= -1.69 K(o=-1.7,f=-2.3!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0522 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -2.88! C(o=-2.9!,f=-4.7!) USER MOD Single : A 22 LYS NZ :NH3+ -156:sc=-0.00195 (180deg=-0.726) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -143:sc=-0.00672 (180deg=-0.116) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -1.02! C(o=-3.5!,f=-1!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0207 USER MOD Single : A 38 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.068) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -143:sc= -3.72 (180deg=-7.87!) USER MOD Single : A 45 ASN :FLIP amide:sc= -1.59 F(o=-2.9,f=-1.6) USER MOD Single : A 49 TYR OH : rot -18:sc= -2.03! USER MOD Single : A 50 SER OG : rot -97:sc= 1.12 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -137:sc= 1.18 (180deg=0.986) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 63 ASN : amide:sc= -0.0533 X(o=-0.053,f=-0.45) USER MOD Single : A 65 TYR OH : rot -151:sc= 0.659 USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 0.0933 (180deg=0.084) USER MOD ----------------------------------------------------------------- ATOM 137 N TRP A 11 13.411 0.616 -1.285 1.00 0.00 N ATOM 138 CA TRP A 11 12.969 1.976 -1.705 1.00 0.00 C ATOM 139 C TRP A 11 13.953 3.027 -1.177 1.00 0.00 C ATOM 140 O TRP A 11 14.463 2.913 -0.081 1.00 0.00 O ATOM 141 CB TRP A 11 11.590 2.161 -1.070 1.00 0.00 C ATOM 142 CG TRP A 11 10.558 1.459 -1.893 1.00 0.00 C ATOM 143 CD1 TRP A 11 9.893 2.006 -2.934 1.00 0.00 C ATOM 144 CD2 TRP A 11 10.062 0.096 -1.759 1.00 0.00 C ATOM 145 NE1 TRP A 11 9.017 1.067 -3.447 1.00 0.00 N ATOM 146 CE2 TRP A 11 9.085 -0.126 -2.758 1.00 0.00 C ATOM 147 CE3 TRP A 11 10.361 -0.959 -0.879 1.00 0.00 C ATOM 148 CZ2 TRP A 11 8.427 -1.349 -2.877 1.00 0.00 C ATOM 149 CZ3 TRP A 11 9.700 -2.190 -0.998 1.00 0.00 C ATOM 150 CH2 TRP A 11 8.735 -2.382 -1.994 1.00 0.00 C ATOM 0 HA TRP A 11 12.931 2.086 -2.789 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.590 1.765 -0.055 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.352 3.222 -0.998 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.024 3.012 -3.305 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.396 1.236 -4.238 1.00 0.00 H new ATOM 0 HE3 TRP A 11 11.104 -0.821 -0.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.684 -1.495 -3.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.937 -2.995 -0.317 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.229 -3.332 -2.078 1.00 0.00 H new ATOM 161 N ASN A 12 14.226 4.042 -1.949 1.00 0.00 N ATOM 162 CA ASN A 12 15.183 5.093 -1.488 1.00 0.00 C ATOM 163 C ASN A 12 14.477 6.447 -1.382 1.00 0.00 C ATOM 164 O ASN A 12 15.014 7.397 -0.847 1.00 0.00 O ATOM 165 CB ASN A 12 16.284 5.148 -2.555 1.00 0.00 C ATOM 166 CG ASN A 12 15.685 4.924 -3.946 1.00 0.00 C ATOM 167 OD1 ASN A 12 15.347 5.866 -4.634 1.00 0.00 O ATOM 168 ND2 ASN A 12 15.540 3.706 -4.390 1.00 0.00 N ATOM 0 H ASN A 12 13.830 4.191 -2.877 1.00 0.00 H new ATOM 0 HA ASN A 12 15.588 4.864 -0.502 1.00 0.00 H new ATOM 0 HB2 ASN A 12 16.787 6.114 -2.519 1.00 0.00 H new ATOM 0 HB3 ASN A 12 17.038 4.388 -2.349 1.00 0.00 H new ATOM 0 HD21 ASN A 12 15.143 3.544 -5.315 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.824 2.915 -3.812 1.00 0.00 H new ATOM 175 N THR A 13 13.281 6.544 -1.888 1.00 0.00 N ATOM 176 CA THR A 13 12.543 7.839 -1.815 1.00 0.00 C ATOM 177 C THR A 13 11.103 7.601 -1.352 1.00 0.00 C ATOM 178 O THR A 13 10.517 6.571 -1.615 1.00 0.00 O ATOM 179 CB THR A 13 12.566 8.407 -3.241 1.00 0.00 C ATOM 180 OG1 THR A 13 11.477 9.305 -3.405 1.00 0.00 O ATOM 181 CG2 THR A 13 12.448 7.272 -4.262 1.00 0.00 C ATOM 0 H THR A 13 12.781 5.784 -2.349 1.00 0.00 H new ATOM 0 HA THR A 13 12.997 8.528 -1.103 1.00 0.00 H new ATOM 0 HB THR A 13 13.507 8.933 -3.402 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.489 9.671 -4.314 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.465 7.686 -5.270 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.284 6.583 -4.138 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.511 6.738 -4.105 1.00 0.00 H new ATOM 189 N LYS A 14 10.531 8.547 -0.656 1.00 0.00 N ATOM 190 CA LYS A 14 9.133 8.375 -0.168 1.00 0.00 C ATOM 191 C LYS A 14 8.167 8.221 -1.347 1.00 0.00 C ATOM 192 O LYS A 14 7.117 7.624 -1.226 1.00 0.00 O ATOM 193 CB LYS A 14 8.829 9.655 0.613 1.00 0.00 C ATOM 194 CG LYS A 14 8.067 9.305 1.893 1.00 0.00 C ATOM 195 CD LYS A 14 9.018 8.628 2.883 1.00 0.00 C ATOM 196 CE LYS A 14 8.693 9.091 4.305 1.00 0.00 C ATOM 197 NZ LYS A 14 10.005 9.494 4.885 1.00 0.00 N ATOM 0 H LYS A 14 10.972 9.432 -0.405 1.00 0.00 H new ATOM 0 HA LYS A 14 9.019 7.482 0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.756 10.172 0.859 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.238 10.336 0.000 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.645 10.207 2.336 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.232 8.643 1.663 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.923 7.545 2.812 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.051 8.874 2.637 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.991 9.925 4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.233 8.291 4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.866 9.824 5.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.650 8.678 4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.416 10.261 4.315 1.00 0.00 H new ATOM 211 N GLU A 15 8.513 8.757 -2.485 1.00 0.00 N ATOM 212 CA GLU A 15 7.611 8.638 -3.667 1.00 0.00 C ATOM 213 C GLU A 15 7.559 7.187 -4.145 1.00 0.00 C ATOM 214 O GLU A 15 6.501 6.636 -4.383 1.00 0.00 O ATOM 215 CB GLU A 15 8.238 9.542 -4.734 1.00 0.00 C ATOM 216 CG GLU A 15 7.749 9.126 -6.126 1.00 0.00 C ATOM 217 CD GLU A 15 8.064 10.236 -7.130 1.00 0.00 C ATOM 218 OE1 GLU A 15 7.531 11.321 -6.970 1.00 0.00 O ATOM 219 OE2 GLU A 15 8.834 9.981 -8.043 1.00 0.00 O ATOM 0 H GLU A 15 9.379 9.271 -2.648 1.00 0.00 H new ATOM 0 HA GLU A 15 6.586 8.931 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.974 10.582 -4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.325 9.475 -4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.232 8.198 -6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.676 8.935 -6.104 1.00 0.00 H new ATOM 226 N GLU A 16 8.693 6.567 -4.292 1.00 0.00 N ATOM 227 CA GLU A 16 8.715 5.151 -4.758 1.00 0.00 C ATOM 228 C GLU A 16 8.079 4.243 -3.709 1.00 0.00 C ATOM 229 O GLU A 16 7.290 3.374 -4.022 1.00 0.00 O ATOM 230 CB GLU A 16 10.195 4.817 -4.939 1.00 0.00 C ATOM 231 CG GLU A 16 10.795 5.734 -6.007 1.00 0.00 C ATOM 232 CD GLU A 16 10.065 5.516 -7.334 1.00 0.00 C ATOM 233 OE1 GLU A 16 9.015 6.111 -7.514 1.00 0.00 O ATOM 234 OE2 GLU A 16 10.568 4.759 -8.148 1.00 0.00 O ATOM 0 H GLU A 16 9.609 6.978 -4.110 1.00 0.00 H new ATOM 0 HA GLU A 16 8.153 5.008 -5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.726 4.943 -3.995 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.311 3.774 -5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.707 6.776 -5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.858 5.525 -6.126 1.00 0.00 H new ATOM 241 N ALA A 17 8.412 4.437 -2.465 1.00 0.00 N ATOM 242 CA ALA A 17 7.820 3.584 -1.399 1.00 0.00 C ATOM 243 C ALA A 17 6.301 3.770 -1.381 1.00 0.00 C ATOM 244 O ALA A 17 5.543 2.817 -1.359 1.00 0.00 O ATOM 245 CB ALA A 17 8.439 4.090 -0.095 1.00 0.00 C ATOM 0 H ALA A 17 9.067 5.148 -2.140 1.00 0.00 H new ATOM 0 HA ALA A 17 8.017 2.523 -1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.051 3.509 0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.523 3.981 -0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.185 5.141 0.045 1.00 0.00 H new ATOM 251 N LYS A 18 5.852 4.996 -1.409 1.00 0.00 N ATOM 252 CA LYS A 18 4.385 5.254 -1.413 1.00 0.00 C ATOM 253 C LYS A 18 3.776 4.705 -2.700 1.00 0.00 C ATOM 254 O LYS A 18 2.683 4.176 -2.712 1.00 0.00 O ATOM 255 CB LYS A 18 4.250 6.776 -1.366 1.00 0.00 C ATOM 256 CG LYS A 18 2.933 7.150 -0.682 1.00 0.00 C ATOM 257 CD LYS A 18 2.948 8.636 -0.318 1.00 0.00 C ATOM 258 CE LYS A 18 3.263 9.463 -1.566 1.00 0.00 C ATOM 259 NZ LYS A 18 4.550 10.148 -1.258 1.00 0.00 N ATOM 0 H LYS A 18 6.439 5.830 -1.429 1.00 0.00 H new ATOM 0 HA LYS A 18 3.872 4.777 -0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.090 7.210 -0.823 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.277 7.186 -2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.094 6.936 -1.344 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.793 6.547 0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.982 8.931 0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.694 8.825 0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.354 8.829 -2.448 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.472 10.184 -1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.833 10.736 -2.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.431 10.750 -0.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.286 9.437 -1.072 1.00 0.00 H new ATOM 273 N GLN A 19 4.484 4.831 -3.788 1.00 0.00 N ATOM 274 CA GLN A 19 3.959 4.319 -5.082 1.00 0.00 C ATOM 275 C GLN A 19 3.858 2.792 -5.043 1.00 0.00 C ATOM 276 O GLN A 19 2.908 2.215 -5.534 1.00 0.00 O ATOM 277 CB GLN A 19 4.981 4.767 -6.127 1.00 0.00 C ATOM 278 CG GLN A 19 4.471 4.409 -7.523 1.00 0.00 C ATOM 279 CD GLN A 19 4.846 2.961 -7.841 1.00 0.00 C ATOM 280 OE1 GLN A 19 3.998 2.161 -8.184 1.00 0.00 O ATOM 281 NE2 GLN A 19 6.092 2.589 -7.740 1.00 0.00 N ATOM 0 H GLN A 19 5.405 5.267 -3.836 1.00 0.00 H new ATOM 0 HA GLN A 19 2.960 4.695 -5.304 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.146 5.842 -6.053 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.941 4.284 -5.944 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.389 4.536 -7.571 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.904 5.080 -8.264 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.803 3.261 -7.452 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.355 1.626 -7.949 1.00 0.00 H new ATOM 290 N ALA A 20 4.821 2.127 -4.457 1.00 0.00 N ATOM 291 CA ALA A 20 4.745 0.640 -4.395 1.00 0.00 C ATOM 292 C ALA A 20 3.603 0.227 -3.470 1.00 0.00 C ATOM 293 O ALA A 20 2.957 -0.779 -3.679 1.00 0.00 O ATOM 294 CB ALA A 20 6.091 0.175 -3.832 1.00 0.00 C ATOM 0 H ALA A 20 5.645 2.544 -4.025 1.00 0.00 H new ATOM 0 HA ALA A 20 4.554 0.196 -5.372 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.100 -0.913 -3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.894 0.502 -4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.239 0.604 -2.841 1.00 0.00 H new ATOM 300 N PHE A 21 3.344 0.999 -2.450 1.00 0.00 N ATOM 301 CA PHE A 21 2.237 0.644 -1.517 1.00 0.00 C ATOM 302 C PHE A 21 0.879 0.921 -2.174 1.00 0.00 C ATOM 303 O PHE A 21 -0.023 0.107 -2.123 1.00 0.00 O ATOM 304 CB PHE A 21 2.434 1.539 -0.296 1.00 0.00 C ATOM 305 CG PHE A 21 1.507 1.083 0.803 1.00 0.00 C ATOM 306 CD1 PHE A 21 0.188 1.546 0.841 1.00 0.00 C ATOM 307 CD2 PHE A 21 1.965 0.192 1.782 1.00 0.00 C ATOM 308 CE1 PHE A 21 -0.676 1.120 1.855 1.00 0.00 C ATOM 309 CE2 PHE A 21 1.102 -0.235 2.798 1.00 0.00 C ATOM 310 CZ PHE A 21 -0.219 0.230 2.833 1.00 0.00 C ATOM 0 H PHE A 21 3.848 1.856 -2.223 1.00 0.00 H new ATOM 0 HA PHE A 21 2.251 -0.413 -1.249 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.469 1.492 0.042 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.229 2.578 -0.554 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.164 2.234 0.086 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.984 -0.165 1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.695 1.478 1.883 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.454 -0.922 3.554 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.886 -0.099 3.616 1.00 0.00 H new ATOM 320 N LYS A 22 0.725 2.051 -2.809 1.00 0.00 N ATOM 321 CA LYS A 22 -0.570 2.338 -3.473 1.00 0.00 C ATOM 322 C LYS A 22 -0.685 1.422 -4.696 1.00 0.00 C ATOM 323 O LYS A 22 -1.720 0.839 -4.958 1.00 0.00 O ATOM 324 CB LYS A 22 -0.504 3.834 -3.833 1.00 0.00 C ATOM 325 CG LYS A 22 -0.601 4.040 -5.342 1.00 0.00 C ATOM 326 CD LYS A 22 -0.305 5.502 -5.679 1.00 0.00 C ATOM 327 CE LYS A 22 -0.845 5.823 -7.074 1.00 0.00 C ATOM 328 NZ LYS A 22 -0.179 4.846 -7.978 1.00 0.00 N ATOM 0 H LYS A 22 1.434 2.779 -2.894 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.452 2.149 -2.860 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.315 4.367 -3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.429 4.259 -3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.106 3.388 -5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.597 3.770 -5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.765 6.157 -4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.769 5.685 -5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.929 5.720 -7.111 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.613 6.849 -7.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.158 5.227 -8.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.794 4.678 -7.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.707 3.950 -7.970 1.00 0.00 H new ATOM 342 N GLU A 23 0.390 1.260 -5.422 1.00 0.00 N ATOM 343 CA GLU A 23 0.357 0.349 -6.596 1.00 0.00 C ATOM 344 C GLU A 23 0.093 -1.066 -6.086 1.00 0.00 C ATOM 345 O GLU A 23 -0.541 -1.871 -6.739 1.00 0.00 O ATOM 346 CB GLU A 23 1.743 0.455 -7.232 1.00 0.00 C ATOM 347 CG GLU A 23 1.726 -0.216 -8.608 1.00 0.00 C ATOM 348 CD GLU A 23 0.978 0.675 -9.603 1.00 0.00 C ATOM 349 OE1 GLU A 23 0.320 1.601 -9.161 1.00 0.00 O ATOM 350 OE2 GLU A 23 1.078 0.414 -10.791 1.00 0.00 O ATOM 0 H GLU A 23 1.285 1.719 -5.251 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.417 0.599 -7.321 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.031 1.502 -7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.486 -0.022 -6.592 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.746 -0.388 -8.953 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.243 -1.191 -8.543 1.00 0.00 H new ATOM 357 N LEU A 24 0.554 -1.359 -4.897 1.00 0.00 N ATOM 358 CA LEU A 24 0.306 -2.704 -4.314 1.00 0.00 C ATOM 359 C LEU A 24 -1.202 -2.885 -4.174 1.00 0.00 C ATOM 360 O LEU A 24 -1.763 -3.890 -4.563 1.00 0.00 O ATOM 361 CB LEU A 24 0.983 -2.674 -2.940 1.00 0.00 C ATOM 362 CG LEU A 24 0.717 -3.979 -2.189 1.00 0.00 C ATOM 363 CD1 LEU A 24 0.996 -5.170 -3.106 1.00 0.00 C ATOM 364 CD2 LEU A 24 1.641 -4.049 -0.968 1.00 0.00 C ATOM 0 H LEU A 24 1.091 -0.723 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 24 0.692 -3.523 -4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.056 -2.527 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.608 -1.830 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.325 -4.010 -1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.805 -6.097 -2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.345 -5.118 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.037 -5.145 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.458 -4.977 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.680 -4.019 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.443 -3.201 -0.313 1.00 0.00 H new ATOM 376 N LEU A 25 -1.866 -1.893 -3.640 1.00 0.00 N ATOM 377 CA LEU A 25 -3.346 -1.976 -3.497 1.00 0.00 C ATOM 378 C LEU A 25 -3.988 -2.126 -4.879 1.00 0.00 C ATOM 379 O LEU A 25 -4.983 -2.804 -5.047 1.00 0.00 O ATOM 380 CB LEU A 25 -3.755 -0.647 -2.864 1.00 0.00 C ATOM 381 CG LEU A 25 -3.745 -0.774 -1.344 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.845 0.306 -0.745 1.00 0.00 C ATOM 383 CD2 LEU A 25 -5.170 -0.594 -0.820 1.00 0.00 C ATOM 0 H LEU A 25 -1.445 -1.029 -3.297 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.662 -2.828 -2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.070 0.141 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.749 -0.361 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.367 -1.756 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.839 0.214 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.830 0.186 -1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.223 1.290 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.172 -0.683 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.540 0.391 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.815 -1.361 -1.248 1.00 0.00 H new ATOM 395 N LYS A 26 -3.416 -1.490 -5.872 1.00 0.00 N ATOM 396 CA LYS A 26 -3.980 -1.587 -7.250 1.00 0.00 C ATOM 397 C LYS A 26 -3.891 -3.029 -7.755 1.00 0.00 C ATOM 398 O LYS A 26 -4.834 -3.560 -8.307 1.00 0.00 O ATOM 399 CB LYS A 26 -3.103 -0.666 -8.099 1.00 0.00 C ATOM 400 CG LYS A 26 -3.776 -0.426 -9.453 1.00 0.00 C ATOM 401 CD LYS A 26 -3.439 -1.579 -10.400 1.00 0.00 C ATOM 402 CE LYS A 26 -3.353 -1.055 -11.835 1.00 0.00 C ATOM 403 NZ LYS A 26 -1.906 -1.125 -12.181 1.00 0.00 N ATOM 0 H LYS A 26 -2.583 -0.908 -5.786 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.031 -1.301 -7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.948 0.282 -7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.120 -1.114 -8.244 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.856 -0.349 -9.326 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.437 0.519 -9.878 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.492 -2.035 -10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.201 -2.355 -10.330 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.952 -1.662 -12.514 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.728 -0.034 -11.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.764 -0.782 -13.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.362 -0.532 -11.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.580 -2.110 -12.111 1.00 0.00 H new ATOM 417 N GLU A 27 -2.772 -3.670 -7.562 1.00 0.00 N ATOM 418 CA GLU A 27 -2.637 -5.081 -8.023 1.00 0.00 C ATOM 419 C GLU A 27 -3.520 -5.978 -7.157 1.00 0.00 C ATOM 420 O GLU A 27 -3.999 -7.008 -7.589 1.00 0.00 O ATOM 421 CB GLU A 27 -1.160 -5.426 -7.832 1.00 0.00 C ATOM 422 CG GLU A 27 -0.815 -6.667 -8.657 1.00 0.00 C ATOM 423 CD GLU A 27 -1.050 -6.375 -10.139 1.00 0.00 C ATOM 424 OE1 GLU A 27 -0.160 -5.822 -10.763 1.00 0.00 O ATOM 425 OE2 GLU A 27 -2.118 -6.709 -10.626 1.00 0.00 O ATOM 0 H GLU A 27 -1.947 -3.280 -7.106 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.945 -5.220 -9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.537 -4.587 -8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.951 -5.608 -6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.225 -6.949 -8.491 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.429 -7.510 -8.340 1.00 0.00 H new ATOM 432 N LYS A 28 -3.750 -5.576 -5.937 1.00 0.00 N ATOM 433 CA LYS A 28 -4.613 -6.377 -5.028 1.00 0.00 C ATOM 434 C LYS A 28 -6.085 -6.087 -5.323 1.00 0.00 C ATOM 435 O LYS A 28 -6.976 -6.709 -4.779 1.00 0.00 O ATOM 436 CB LYS A 28 -4.239 -5.913 -3.620 1.00 0.00 C ATOM 437 CG LYS A 28 -3.122 -6.801 -3.070 1.00 0.00 C ATOM 438 CD LYS A 28 -1.802 -6.467 -3.764 1.00 0.00 C ATOM 439 CE LYS A 28 -1.016 -7.756 -4.017 1.00 0.00 C ATOM 440 NZ LYS A 28 -1.466 -8.227 -5.356 1.00 0.00 N ATOM 0 H LYS A 28 -3.373 -4.720 -5.529 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.469 -7.451 -5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.913 -4.873 -3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.110 -5.960 -2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.025 -6.654 -1.994 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.370 -7.851 -3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.994 -5.955 -4.707 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.216 -5.787 -3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.058 -7.572 -4.004 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.221 -8.500 -3.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.522 -9.266 -5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.404 -7.830 -5.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.787 -7.915 -6.080 1.00 0.00 H new ATOM 454 N ARG A 29 -6.344 -5.145 -6.190 1.00 0.00 N ATOM 455 CA ARG A 29 -7.753 -4.810 -6.532 1.00 0.00 C ATOM 456 C ARG A 29 -8.521 -4.387 -5.279 1.00 0.00 C ATOM 457 O ARG A 29 -9.702 -4.640 -5.152 1.00 0.00 O ATOM 458 CB ARG A 29 -8.338 -6.097 -7.114 1.00 0.00 C ATOM 459 CG ARG A 29 -8.294 -6.032 -8.642 1.00 0.00 C ATOM 460 CD ARG A 29 -9.707 -6.207 -9.201 1.00 0.00 C ATOM 461 NE ARG A 29 -9.564 -7.206 -10.295 1.00 0.00 N ATOM 462 CZ ARG A 29 -10.141 -7.000 -11.446 1.00 0.00 C ATOM 463 NH1 ARG A 29 -9.466 -6.470 -12.429 1.00 0.00 N ATOM 464 NH2 ARG A 29 -11.393 -7.324 -11.615 1.00 0.00 N ATOM 0 H ARG A 29 -5.637 -4.593 -6.676 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.818 -3.979 -7.235 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.773 -6.959 -6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.365 -6.228 -6.774 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.880 -5.077 -8.964 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.638 -6.811 -9.031 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.395 -6.558 -8.432 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.103 -5.264 -9.577 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.014 -8.052 -10.144 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.487 -6.217 -12.297 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.918 -6.309 -13.329 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.921 -7.738 -10.847 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.844 -7.163 -12.515 1.00 0.00 H new ATOM 478 N VAL A 30 -7.867 -3.737 -4.354 1.00 0.00 N ATOM 479 CA VAL A 30 -8.582 -3.299 -3.121 1.00 0.00 C ATOM 480 C VAL A 30 -9.689 -2.310 -3.493 1.00 0.00 C ATOM 481 O VAL A 30 -9.465 -1.392 -4.257 1.00 0.00 O ATOM 482 CB VAL A 30 -7.524 -2.617 -2.255 1.00 0.00 C ATOM 483 CG1 VAL A 30 -8.166 -2.142 -0.950 1.00 0.00 C ATOM 484 CG2 VAL A 30 -6.402 -3.609 -1.938 1.00 0.00 C ATOM 0 H VAL A 30 -6.878 -3.492 -4.398 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.050 -4.132 -2.596 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.111 -1.763 -2.792 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.413 -1.655 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.965 -1.435 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.578 -2.997 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.648 -3.121 -1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.813 -4.464 -1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.945 -3.950 -2.867 1.00 0.00 H new ATOM 494 N PRO A 31 -10.851 -2.533 -2.944 1.00 0.00 N ATOM 495 CA PRO A 31 -12.004 -1.648 -3.229 1.00 0.00 C ATOM 496 C PRO A 31 -11.817 -0.293 -2.541 1.00 0.00 C ATOM 497 O PRO A 31 -10.997 -0.142 -1.658 1.00 0.00 O ATOM 498 CB PRO A 31 -13.191 -2.403 -2.635 1.00 0.00 C ATOM 499 CG PRO A 31 -12.599 -3.273 -1.574 1.00 0.00 C ATOM 500 CD PRO A 31 -11.198 -3.612 -2.014 1.00 0.00 C ATOM 0 HA PRO A 31 -12.131 -1.435 -4.290 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.928 -1.716 -2.218 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.702 -2.996 -3.393 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.588 -2.757 -0.614 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.192 -4.178 -1.442 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.511 -3.647 -1.168 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.156 -4.587 -2.499 1.00 0.00 H new ATOM 508 N SER A 32 -12.570 0.691 -2.943 1.00 0.00 N ATOM 509 CA SER A 32 -12.438 2.037 -2.318 1.00 0.00 C ATOM 510 C SER A 32 -13.039 2.024 -0.909 1.00 0.00 C ATOM 511 O SER A 32 -12.919 2.977 -0.164 1.00 0.00 O ATOM 512 CB SER A 32 -13.220 2.979 -3.236 1.00 0.00 C ATOM 513 OG SER A 32 -14.265 3.603 -2.501 1.00 0.00 O ATOM 0 H SER A 32 -13.273 0.622 -3.679 1.00 0.00 H new ATOM 0 HA SER A 32 -11.398 2.348 -2.214 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.553 3.734 -3.652 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.635 2.423 -4.076 1.00 0.00 H new ATOM 0 HG SER A 32 -14.764 4.207 -3.090 1.00 0.00 H new ATOM 519 N ASN A 33 -13.690 0.955 -0.540 1.00 0.00 N ATOM 520 CA ASN A 33 -14.300 0.892 0.820 1.00 0.00 C ATOM 521 C ASN A 33 -13.663 -0.234 1.648 1.00 0.00 C ATOM 522 O ASN A 33 -14.219 -0.680 2.632 1.00 0.00 O ATOM 523 CB ASN A 33 -15.796 0.634 0.574 1.00 0.00 C ATOM 524 CG ASN A 33 -16.085 -0.871 0.491 1.00 0.00 C ATOM 525 OD1 ASN A 33 -15.183 -1.679 0.001 1.00 0.00 O flip ATOM 526 ND2 ASN A 33 -17.147 -1.317 0.878 1.00 0.00 N flip ATOM 0 H ASN A 33 -13.826 0.126 -1.118 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.141 1.808 1.388 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.383 1.077 1.378 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.106 1.120 -0.351 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.854 -0.690 1.261 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.331 -2.319 0.820 1.00 0.00 H new ATOM 533 N ALA A 34 -12.505 -0.696 1.261 1.00 0.00 N ATOM 534 CA ALA A 34 -11.846 -1.789 2.036 1.00 0.00 C ATOM 535 C ALA A 34 -11.365 -1.264 3.388 1.00 0.00 C ATOM 536 O ALA A 34 -10.975 -0.121 3.519 1.00 0.00 O ATOM 537 CB ALA A 34 -10.647 -2.229 1.191 1.00 0.00 C ATOM 0 H ALA A 34 -11.988 -0.367 0.446 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.532 -2.613 2.230 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.116 -3.032 1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -10.996 -2.585 0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.974 -1.384 1.046 1.00 0.00 H new ATOM 543 N SER A 35 -11.370 -2.097 4.390 1.00 0.00 N ATOM 544 CA SER A 35 -10.890 -1.650 5.726 1.00 0.00 C ATOM 545 C SER A 35 -9.375 -1.816 5.785 1.00 0.00 C ATOM 546 O SER A 35 -8.816 -2.661 5.113 1.00 0.00 O ATOM 547 CB SER A 35 -11.568 -2.581 6.727 1.00 0.00 C ATOM 548 OG SER A 35 -11.093 -3.907 6.528 1.00 0.00 O ATOM 0 H SER A 35 -11.685 -3.066 4.342 1.00 0.00 H new ATOM 0 HA SER A 35 -11.122 -0.606 5.934 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.357 -2.255 7.746 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.650 -2.546 6.599 1.00 0.00 H new ATOM 0 HG SER A 35 -11.524 -4.509 7.170 1.00 0.00 H new ATOM 554 N TRP A 36 -8.696 -1.027 6.566 1.00 0.00 N ATOM 555 CA TRP A 36 -7.220 -1.178 6.625 1.00 0.00 C ATOM 556 C TRP A 36 -6.865 -2.648 6.841 1.00 0.00 C ATOM 557 O TRP A 36 -5.874 -3.133 6.344 1.00 0.00 O ATOM 558 CB TRP A 36 -6.752 -0.341 7.813 1.00 0.00 C ATOM 559 CG TRP A 36 -5.309 -0.638 8.060 1.00 0.00 C ATOM 560 CD1 TRP A 36 -4.764 -0.931 9.263 1.00 0.00 C ATOM 561 CD2 TRP A 36 -4.220 -0.690 7.093 1.00 0.00 C ATOM 562 NE1 TRP A 36 -3.409 -1.158 9.096 1.00 0.00 N ATOM 563 CE2 TRP A 36 -3.025 -1.020 7.775 1.00 0.00 C ATOM 564 CE3 TRP A 36 -4.156 -0.483 5.704 1.00 0.00 C ATOM 565 CZ2 TRP A 36 -1.808 -1.141 7.100 1.00 0.00 C ATOM 566 CZ3 TRP A 36 -2.934 -0.604 5.023 1.00 0.00 C ATOM 567 CH2 TRP A 36 -1.763 -0.933 5.721 1.00 0.00 C ATOM 0 H TRP A 36 -9.091 -0.296 7.157 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.742 -0.850 5.702 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.891 0.720 7.607 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.344 -0.574 8.698 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.299 -0.980 10.200 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.771 -1.398 9.855 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.052 -0.229 5.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -0.908 -1.394 7.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.896 -0.443 3.956 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.826 -1.025 5.191 1.00 0.00 H new ATOM 578 N GLU A 37 -7.669 -3.363 7.578 1.00 0.00 N ATOM 579 CA GLU A 37 -7.370 -4.804 7.820 1.00 0.00 C ATOM 580 C GLU A 37 -7.463 -5.598 6.513 1.00 0.00 C ATOM 581 O GLU A 37 -6.584 -6.370 6.182 1.00 0.00 O ATOM 582 CB GLU A 37 -8.439 -5.270 8.810 1.00 0.00 C ATOM 583 CG GLU A 37 -7.774 -5.658 10.132 1.00 0.00 C ATOM 584 CD GLU A 37 -8.766 -6.442 10.995 1.00 0.00 C ATOM 585 OE1 GLU A 37 -9.645 -7.070 10.429 1.00 0.00 O ATOM 586 OE2 GLU A 37 -8.627 -6.401 12.205 1.00 0.00 O ATOM 0 H GLU A 37 -8.518 -3.014 8.022 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.362 -4.954 8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.167 -4.476 8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.983 -6.121 8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.887 -6.261 9.941 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.444 -4.764 10.661 1.00 0.00 H new ATOM 593 N GLN A 38 -8.521 -5.419 5.766 1.00 0.00 N ATOM 594 CA GLN A 38 -8.660 -6.173 4.485 1.00 0.00 C ATOM 595 C GLN A 38 -7.654 -5.660 3.451 1.00 0.00 C ATOM 596 O GLN A 38 -6.975 -6.429 2.791 1.00 0.00 O ATOM 597 CB GLN A 38 -10.090 -5.897 4.021 1.00 0.00 C ATOM 598 CG GLN A 38 -11.076 -6.590 4.961 1.00 0.00 C ATOM 599 CD GLN A 38 -11.828 -7.681 4.196 1.00 0.00 C ATOM 600 OE1 GLN A 38 -11.913 -8.806 4.646 1.00 0.00 O ATOM 601 NE2 GLN A 38 -12.382 -7.394 3.050 1.00 0.00 N ATOM 0 H GLN A 38 -9.291 -4.787 5.986 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.466 -7.238 4.611 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.278 -4.823 4.007 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.229 -6.258 3.002 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.544 -7.025 5.807 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.780 -5.864 5.366 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.311 -6.449 2.672 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.886 -8.114 2.533 1.00 0.00 H new ATOM 610 N ALA A 39 -7.547 -4.370 3.307 1.00 0.00 N ATOM 611 CA ALA A 39 -6.586 -3.811 2.318 1.00 0.00 C ATOM 612 C ALA A 39 -5.150 -4.112 2.750 1.00 0.00 C ATOM 613 O ALA A 39 -4.321 -4.494 1.950 1.00 0.00 O ATOM 614 CB ALA A 39 -6.842 -2.304 2.320 1.00 0.00 C ATOM 0 H ALA A 39 -8.083 -3.679 3.831 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.717 -4.243 1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.169 -1.820 1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.874 -2.110 2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.665 -1.906 3.319 1.00 0.00 H new ATOM 620 N MET A 40 -4.852 -3.941 4.009 1.00 0.00 N ATOM 621 CA MET A 40 -3.468 -4.213 4.490 1.00 0.00 C ATOM 622 C MET A 40 -3.097 -5.677 4.258 1.00 0.00 C ATOM 623 O MET A 40 -2.036 -5.975 3.768 1.00 0.00 O ATOM 624 CB MET A 40 -3.488 -3.903 5.986 1.00 0.00 C ATOM 625 CG MET A 40 -2.133 -4.261 6.600 1.00 0.00 C ATOM 626 SD MET A 40 -2.251 -5.867 7.428 1.00 0.00 S ATOM 627 CE MET A 40 -2.777 -5.254 9.048 1.00 0.00 C ATOM 0 H MET A 40 -5.506 -3.625 4.725 1.00 0.00 H new ATOM 0 HA MET A 40 -2.732 -3.610 3.959 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.704 -2.847 6.146 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.281 -4.468 6.475 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.368 -4.295 5.824 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.831 -3.494 7.313 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.912 -6.094 9.729 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.017 -4.582 9.447 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.719 -4.716 8.945 1.00 0.00 H new ATOM 637 N LYS A 41 -3.954 -6.593 4.616 1.00 0.00 N ATOM 638 CA LYS A 41 -3.618 -8.034 4.416 1.00 0.00 C ATOM 639 C LYS A 41 -3.405 -8.336 2.929 1.00 0.00 C ATOM 640 O LYS A 41 -2.422 -8.949 2.538 1.00 0.00 O ATOM 641 CB LYS A 41 -4.839 -8.795 4.931 1.00 0.00 C ATOM 642 CG LYS A 41 -4.607 -9.223 6.379 1.00 0.00 C ATOM 643 CD LYS A 41 -5.942 -9.234 7.125 1.00 0.00 C ATOM 644 CE LYS A 41 -5.989 -10.433 8.073 1.00 0.00 C ATOM 645 NZ LYS A 41 -6.837 -9.986 9.213 1.00 0.00 N ATOM 0 H LYS A 41 -4.866 -6.410 5.035 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.701 -8.314 4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.726 -8.165 4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.023 -9.670 4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.153 -10.213 6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.912 -8.539 6.865 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.064 -8.308 7.687 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.767 -9.287 6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.415 -11.308 7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.990 -10.711 8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.918 -10.755 9.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.403 -9.156 9.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.784 -9.735 8.864 1.00 0.00 H new ATOM 659 N MET A 42 -4.315 -7.909 2.097 1.00 0.00 N ATOM 660 CA MET A 42 -4.169 -8.176 0.639 1.00 0.00 C ATOM 661 C MET A 42 -2.865 -7.571 0.116 1.00 0.00 C ATOM 662 O MET A 42 -2.228 -8.115 -0.766 1.00 0.00 O ATOM 663 CB MET A 42 -5.374 -7.495 -0.009 1.00 0.00 C ATOM 664 CG MET A 42 -6.650 -8.256 0.356 1.00 0.00 C ATOM 665 SD MET A 42 -7.384 -8.957 -1.142 1.00 0.00 S ATOM 666 CE MET A 42 -7.351 -7.447 -2.139 1.00 0.00 C ATOM 0 H MET A 42 -5.151 -7.388 2.363 1.00 0.00 H new ATOM 0 HA MET A 42 -4.133 -9.242 0.416 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.446 -6.461 0.329 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.251 -7.469 -1.092 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.422 -9.050 1.068 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.359 -7.586 0.842 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.245 -7.402 -2.760 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.321 -6.578 -1.482 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.466 -7.451 -2.776 1.00 0.00 H new ATOM 676 N ILE A 43 -2.469 -6.444 0.639 1.00 0.00 N ATOM 677 CA ILE A 43 -1.215 -5.796 0.155 1.00 0.00 C ATOM 678 C ILE A 43 0.005 -6.316 0.925 1.00 0.00 C ATOM 679 O ILE A 43 1.110 -6.319 0.418 1.00 0.00 O ATOM 680 CB ILE A 43 -1.425 -4.300 0.397 1.00 0.00 C ATOM 681 CG1 ILE A 43 -1.393 -4.005 1.899 1.00 0.00 C ATOM 682 CG2 ILE A 43 -2.774 -3.869 -0.179 1.00 0.00 C ATOM 683 CD1 ILE A 43 -1.324 -2.490 2.108 1.00 0.00 C ATOM 0 H ILE A 43 -2.958 -5.943 1.380 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.021 -6.014 -0.895 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.626 -3.745 -0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.282 -4.412 2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.531 -4.488 2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.920 -2.803 -0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.792 -4.067 -1.251 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.573 -4.429 0.307 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.301 -2.271 3.175 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.422 -2.098 1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.200 -2.021 1.660 1.00 0.00 H new ATOM 695 N ILE A 44 -0.175 -6.769 2.137 1.00 0.00 N ATOM 696 CA ILE A 44 0.991 -7.290 2.903 1.00 0.00 C ATOM 697 C ILE A 44 1.509 -8.549 2.211 1.00 0.00 C ATOM 698 O ILE A 44 2.699 -8.755 2.082 1.00 0.00 O ATOM 699 CB ILE A 44 0.464 -7.591 4.318 1.00 0.00 C ATOM 700 CG1 ILE A 44 1.568 -7.310 5.339 1.00 0.00 C ATOM 701 CG2 ILE A 44 0.034 -9.056 4.437 1.00 0.00 C ATOM 702 CD1 ILE A 44 0.959 -6.662 6.583 1.00 0.00 C ATOM 0 H ILE A 44 -1.070 -6.800 2.625 1.00 0.00 H new ATOM 0 HA ILE A 44 1.820 -6.584 2.954 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.400 -6.954 4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.073 -8.237 5.609 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.321 -6.652 4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.335 -9.246 5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.757 -9.263 3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.887 -9.703 4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.745 -6.462 7.311 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.474 -5.726 6.305 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.223 -7.336 7.021 1.00 0.00 H new ATOM 714 N ASN A 45 0.620 -9.383 1.737 1.00 0.00 N ATOM 715 CA ASN A 45 1.077 -10.609 1.027 1.00 0.00 C ATOM 716 C ASN A 45 2.166 -10.229 0.018 1.00 0.00 C ATOM 717 O ASN A 45 2.992 -11.037 -0.357 1.00 0.00 O ATOM 718 CB ASN A 45 -0.163 -11.140 0.307 1.00 0.00 C ATOM 719 CG ASN A 45 -1.322 -11.257 1.299 1.00 0.00 C ATOM 720 OD1 ASN A 45 -1.066 -11.423 2.568 1.00 0.00 O flip ATOM 721 ND2 ASN A 45 -2.473 -11.197 0.916 1.00 0.00 N flip ATOM 0 H ASN A 45 -0.391 -9.269 1.811 1.00 0.00 H new ATOM 0 HA ASN A 45 1.497 -11.356 1.700 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.436 -10.471 -0.509 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.050 -12.113 -0.135 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.674 -11.067 -0.075 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.238 -11.276 1.586 1.00 0.00 H new ATOM 728 N ASP A 46 2.167 -8.996 -0.418 1.00 0.00 N ATOM 729 CA ASP A 46 3.193 -8.537 -1.399 1.00 0.00 C ATOM 730 C ASP A 46 4.313 -7.783 -0.675 1.00 0.00 C ATOM 731 O ASP A 46 4.069 -7.091 0.297 1.00 0.00 O ATOM 732 CB ASP A 46 2.438 -7.597 -2.338 1.00 0.00 C ATOM 733 CG ASP A 46 3.265 -7.348 -3.599 1.00 0.00 C ATOM 734 OD1 ASP A 46 4.216 -6.588 -3.520 1.00 0.00 O ATOM 735 OD2 ASP A 46 2.935 -7.922 -4.623 1.00 0.00 O ATOM 0 H ASP A 46 1.496 -8.283 -0.134 1.00 0.00 H new ATOM 0 HA ASP A 46 3.660 -9.365 -1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.474 -8.031 -2.604 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.233 -6.652 -1.834 1.00 0.00 H new ATOM 740 N PRO A 47 5.509 -7.939 -1.173 1.00 0.00 N ATOM 741 CA PRO A 47 6.681 -7.265 -0.563 1.00 0.00 C ATOM 742 C PRO A 47 6.544 -5.744 -0.682 1.00 0.00 C ATOM 743 O PRO A 47 7.187 -4.997 0.028 1.00 0.00 O ATOM 744 CB PRO A 47 7.863 -7.795 -1.375 1.00 0.00 C ATOM 745 CG PRO A 47 7.265 -8.225 -2.674 1.00 0.00 C ATOM 746 CD PRO A 47 5.885 -8.733 -2.347 1.00 0.00 C ATOM 0 HA PRO A 47 6.792 -7.465 0.503 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.620 -7.025 -1.523 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.351 -8.628 -0.868 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.218 -7.393 -3.377 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.867 -9.004 -3.142 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.193 -8.581 -3.175 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.890 -9.801 -2.127 1.00 0.00 H new ATOM 754 N ARG A 48 5.698 -5.282 -1.561 1.00 0.00 N ATOM 755 CA ARG A 48 5.506 -3.815 -1.710 1.00 0.00 C ATOM 756 C ARG A 48 5.042 -3.215 -0.383 1.00 0.00 C ATOM 757 O ARG A 48 5.241 -2.047 -0.118 1.00 0.00 O ATOM 758 CB ARG A 48 4.449 -3.668 -2.795 1.00 0.00 C ATOM 759 CG ARG A 48 5.046 -4.142 -4.116 1.00 0.00 C ATOM 760 CD ARG A 48 5.493 -2.934 -4.935 1.00 0.00 C ATOM 761 NE ARG A 48 4.269 -2.515 -5.662 1.00 0.00 N ATOM 762 CZ ARG A 48 4.365 -1.987 -6.853 1.00 0.00 C ATOM 763 NH1 ARG A 48 5.253 -1.059 -7.085 1.00 0.00 N ATOM 764 NH2 ARG A 48 3.578 -2.391 -7.812 1.00 0.00 N ATOM 0 H ARG A 48 5.131 -5.859 -2.183 1.00 0.00 H new ATOM 0 HA ARG A 48 6.423 -3.290 -1.979 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.565 -4.255 -2.546 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.129 -2.629 -2.875 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.893 -4.801 -3.929 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.309 -4.720 -4.674 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.869 -2.136 -4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.296 -3.195 -5.624 1.00 0.00 H new ATOM 0 HE ARG A 48 3.353 -2.639 -5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.872 -0.746 -6.337 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.328 -0.646 -8.015 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.887 -3.120 -7.632 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.654 -1.978 -8.742 1.00 0.00 H new ATOM 778 N TYR A 49 4.432 -4.006 0.457 1.00 0.00 N ATOM 779 CA TYR A 49 3.974 -3.473 1.771 1.00 0.00 C ATOM 780 C TYR A 49 5.185 -2.932 2.540 1.00 0.00 C ATOM 781 O TYR A 49 5.105 -1.946 3.256 1.00 0.00 O ATOM 782 CB TYR A 49 3.363 -4.677 2.491 1.00 0.00 C ATOM 783 CG TYR A 49 2.548 -4.205 3.667 1.00 0.00 C ATOM 784 CD1 TYR A 49 1.329 -3.560 3.451 1.00 0.00 C ATOM 785 CD2 TYR A 49 3.005 -4.418 4.973 1.00 0.00 C ATOM 786 CE1 TYR A 49 0.562 -3.127 4.534 1.00 0.00 C ATOM 787 CE2 TYR A 49 2.239 -3.985 6.059 1.00 0.00 C ATOM 788 CZ TYR A 49 1.017 -3.340 5.840 1.00 0.00 C ATOM 789 OH TYR A 49 0.263 -2.918 6.911 1.00 0.00 O ATOM 0 H TYR A 49 4.232 -4.992 0.292 1.00 0.00 H new ATOM 0 HA TYR A 49 3.256 -2.658 1.678 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.734 -5.243 1.804 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.151 -5.349 2.829 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.978 -3.395 2.443 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.948 -4.916 5.141 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.381 -2.628 4.364 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.590 -4.148 7.067 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.391 -2.254 6.609 1.00 0.00 H new ATOM 799 N SER A 50 6.320 -3.550 2.367 1.00 0.00 N ATOM 800 CA SER A 50 7.539 -3.064 3.068 1.00 0.00 C ATOM 801 C SER A 50 7.977 -1.738 2.451 1.00 0.00 C ATOM 802 O SER A 50 8.875 -1.078 2.938 1.00 0.00 O ATOM 803 CB SER A 50 8.597 -4.145 2.838 1.00 0.00 C ATOM 804 OG SER A 50 9.073 -4.058 1.502 1.00 0.00 O ATOM 0 H SER A 50 6.455 -4.368 1.772 1.00 0.00 H new ATOM 0 HA SER A 50 7.374 -2.893 4.132 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.422 -4.018 3.539 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.172 -5.132 3.021 1.00 0.00 H new ATOM 0 HG SER A 50 8.597 -4.707 0.942 1.00 0.00 H new ATOM 810 N ALA A 51 7.324 -1.325 1.397 1.00 0.00 N ATOM 811 CA ALA A 51 7.675 -0.026 0.770 1.00 0.00 C ATOM 812 C ALA A 51 7.450 1.079 1.798 1.00 0.00 C ATOM 813 O ALA A 51 7.946 2.181 1.665 1.00 0.00 O ATOM 814 CB ALA A 51 6.709 0.122 -0.407 1.00 0.00 C ATOM 0 H ALA A 51 6.564 -1.834 0.946 1.00 0.00 H new ATOM 0 HA ALA A 51 8.711 0.029 0.437 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.906 1.062 -0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.849 -0.708 -1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.683 0.118 -0.038 1.00 0.00 H new ATOM 820 N LEU A 52 6.713 0.781 2.837 1.00 0.00 N ATOM 821 CA LEU A 52 6.467 1.806 3.890 1.00 0.00 C ATOM 822 C LEU A 52 6.852 1.233 5.255 1.00 0.00 C ATOM 823 O LEU A 52 6.343 0.215 5.680 1.00 0.00 O ATOM 824 CB LEU A 52 4.971 2.097 3.817 1.00 0.00 C ATOM 825 CG LEU A 52 4.666 2.938 2.576 1.00 0.00 C ATOM 826 CD1 LEU A 52 3.237 3.468 2.668 1.00 0.00 C ATOM 827 CD2 LEU A 52 5.637 4.121 2.495 1.00 0.00 C ATOM 0 H LEU A 52 6.273 -0.125 3.000 1.00 0.00 H new ATOM 0 HA LEU A 52 7.054 2.713 3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.411 1.163 3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.650 2.626 4.714 1.00 0.00 H new ATOM 0 HG LEU A 52 4.778 2.319 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.014 4.068 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.541 2.631 2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.134 4.084 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.414 4.715 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.529 4.742 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.660 3.749 2.434 1.00 0.00 H new ATOM 839 N ALA A 53 7.763 1.871 5.935 1.00 0.00 N ATOM 840 CA ALA A 53 8.204 1.358 7.263 1.00 0.00 C ATOM 841 C ALA A 53 7.174 1.680 8.351 1.00 0.00 C ATOM 842 O ALA A 53 6.992 0.924 9.284 1.00 0.00 O ATOM 843 CB ALA A 53 9.521 2.082 7.543 1.00 0.00 C ATOM 0 H ALA A 53 8.223 2.728 5.628 1.00 0.00 H new ATOM 0 HA ALA A 53 8.316 0.274 7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.915 1.760 8.507 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.240 1.845 6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.348 3.158 7.563 1.00 0.00 H new ATOM 849 N LYS A 54 6.513 2.798 8.251 1.00 0.00 N ATOM 850 CA LYS A 54 5.513 3.159 9.298 1.00 0.00 C ATOM 851 C LYS A 54 4.099 2.760 8.869 1.00 0.00 C ATOM 852 O LYS A 54 3.706 2.929 7.732 1.00 0.00 O ATOM 853 CB LYS A 54 5.617 4.678 9.435 1.00 0.00 C ATOM 854 CG LYS A 54 6.528 5.024 10.612 1.00 0.00 C ATOM 855 CD LYS A 54 7.517 6.109 10.184 1.00 0.00 C ATOM 856 CE LYS A 54 6.750 7.380 9.812 1.00 0.00 C ATOM 857 NZ LYS A 54 7.399 8.466 10.598 1.00 0.00 N ATOM 0 H LYS A 54 6.619 3.475 7.496 1.00 0.00 H new ATOM 0 HA LYS A 54 5.708 2.642 10.237 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.013 5.110 8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.627 5.108 9.589 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.933 5.371 11.457 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.066 4.136 10.944 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.217 6.318 10.993 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.106 5.765 9.334 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.809 7.578 8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.693 7.290 10.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.927 9.370 10.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.321 8.254 11.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.403 8.533 10.335 1.00 0.00 H new ATOM 871 N LEU A 55 3.323 2.242 9.776 1.00 0.00 N ATOM 872 CA LEU A 55 1.932 1.856 9.418 1.00 0.00 C ATOM 873 C LEU A 55 1.103 3.117 9.184 1.00 0.00 C ATOM 874 O LEU A 55 0.193 3.135 8.379 1.00 0.00 O ATOM 875 CB LEU A 55 1.403 1.071 10.615 1.00 0.00 C ATOM 876 CG LEU A 55 0.576 -0.110 10.106 1.00 0.00 C ATOM 877 CD1 LEU A 55 -0.551 0.409 9.211 1.00 0.00 C ATOM 878 CD2 LEU A 55 1.476 -1.046 9.296 1.00 0.00 C ATOM 0 H LEU A 55 3.589 2.070 10.745 1.00 0.00 H new ATOM 0 HA LEU A 55 1.884 1.259 8.507 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.231 0.715 11.228 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.792 1.715 11.248 1.00 0.00 H new ATOM 0 HG LEU A 55 0.151 -0.651 10.952 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.142 -0.431 8.847 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.190 1.081 9.784 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.125 0.947 8.364 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.890 -1.889 8.931 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.897 -0.504 8.449 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.284 -1.413 9.930 1.00 0.00 H new ATOM 890 N SER A 56 1.418 4.180 9.876 1.00 0.00 N ATOM 891 CA SER A 56 0.652 5.441 9.683 1.00 0.00 C ATOM 892 C SER A 56 0.750 5.871 8.220 1.00 0.00 C ATOM 893 O SER A 56 -0.232 6.230 7.601 1.00 0.00 O ATOM 894 CB SER A 56 1.329 6.464 10.594 1.00 0.00 C ATOM 895 OG SER A 56 0.886 6.267 11.931 1.00 0.00 O ATOM 0 H SER A 56 2.170 4.228 10.563 1.00 0.00 H new ATOM 0 HA SER A 56 -0.406 5.334 9.923 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.412 6.357 10.538 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.091 7.475 10.265 1.00 0.00 H new ATOM 0 HG SER A 56 1.319 6.920 12.519 1.00 0.00 H new ATOM 901 N GLU A 57 1.922 5.808 7.649 1.00 0.00 N ATOM 902 CA GLU A 57 2.060 6.185 6.218 1.00 0.00 C ATOM 903 C GLU A 57 1.405 5.099 5.366 1.00 0.00 C ATOM 904 O GLU A 57 0.788 5.375 4.356 1.00 0.00 O ATOM 905 CB GLU A 57 3.563 6.282 5.950 1.00 0.00 C ATOM 906 CG GLU A 57 4.251 4.979 6.345 1.00 0.00 C ATOM 907 CD GLU A 57 5.660 4.949 5.754 1.00 0.00 C ATOM 908 OE1 GLU A 57 6.026 5.911 5.099 1.00 0.00 O ATOM 909 OE2 GLU A 57 6.350 3.966 5.965 1.00 0.00 O ATOM 0 H GLU A 57 2.783 5.514 8.110 1.00 0.00 H new ATOM 0 HA GLU A 57 1.576 7.131 5.976 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.739 6.490 4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.988 7.112 6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.298 4.895 7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.675 4.127 5.984 1.00 0.00 H new ATOM 916 N LYS A 58 1.509 3.864 5.783 1.00 0.00 N ATOM 917 CA LYS A 58 0.864 2.767 5.010 1.00 0.00 C ATOM 918 C LYS A 58 -0.638 3.034 4.921 1.00 0.00 C ATOM 919 O LYS A 58 -1.252 2.865 3.886 1.00 0.00 O ATOM 920 CB LYS A 58 1.132 1.501 5.823 1.00 0.00 C ATOM 921 CG LYS A 58 2.559 1.027 5.559 1.00 0.00 C ATOM 922 CD LYS A 58 2.625 -0.494 5.695 1.00 0.00 C ATOM 923 CE LYS A 58 3.631 -0.869 6.788 1.00 0.00 C ATOM 924 NZ LYS A 58 4.668 -1.686 6.097 1.00 0.00 N ATOM 0 H LYS A 58 2.010 3.571 6.621 1.00 0.00 H new ATOM 0 HA LYS A 58 1.247 2.682 3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.993 1.701 6.886 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.421 0.722 5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.874 1.327 4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.245 1.496 6.264 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.640 -0.890 5.942 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.920 -0.942 4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.068 0.020 7.243 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.152 -1.434 7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.913 -2.507 6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.298 -2.015 5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.518 -1.107 5.939 1.00 0.00 H new ATOM 938 N LYS A 59 -1.230 3.465 6.001 1.00 0.00 N ATOM 939 CA LYS A 59 -2.688 3.761 5.987 1.00 0.00 C ATOM 940 C LYS A 59 -2.944 5.013 5.147 1.00 0.00 C ATOM 941 O LYS A 59 -3.920 5.105 4.430 1.00 0.00 O ATOM 942 CB LYS A 59 -3.055 4.007 7.450 1.00 0.00 C ATOM 943 CG LYS A 59 -2.996 2.684 8.218 1.00 0.00 C ATOM 944 CD LYS A 59 -4.270 2.518 9.047 1.00 0.00 C ATOM 945 CE LYS A 59 -3.932 1.832 10.373 1.00 0.00 C ATOM 946 NZ LYS A 59 -3.556 2.939 11.295 1.00 0.00 N ATOM 0 H LYS A 59 -0.764 3.625 6.894 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.280 2.954 5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.368 4.728 7.893 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.055 4.436 7.519 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.891 1.852 7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.121 2.668 8.868 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.724 3.491 9.234 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.001 1.926 8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.785 1.272 10.756 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.113 1.123 10.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.311 2.547 12.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.737 3.450 10.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.357 3.594 11.396 1.00 0.00 H new ATOM 960 N GLN A 60 -2.064 5.976 5.224 1.00 0.00 N ATOM 961 CA GLN A 60 -2.249 7.217 4.420 1.00 0.00 C ATOM 962 C GLN A 60 -2.246 6.864 2.933 1.00 0.00 C ATOM 963 O GLN A 60 -3.044 7.360 2.162 1.00 0.00 O ATOM 964 CB GLN A 60 -1.047 8.098 4.764 1.00 0.00 C ATOM 965 CG GLN A 60 -1.223 8.678 6.169 1.00 0.00 C ATOM 966 CD GLN A 60 -0.893 10.172 6.150 1.00 0.00 C ATOM 967 OE1 GLN A 60 -1.531 10.938 5.455 1.00 0.00 O ATOM 968 NE2 GLN A 60 0.086 10.622 6.887 1.00 0.00 N ATOM 0 H GLN A 60 -1.228 5.956 5.808 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.191 7.721 4.635 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.128 7.514 4.713 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.953 8.904 4.036 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.247 8.525 6.511 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.571 8.160 6.872 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.622 9.980 7.471 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.315 11.616 6.879 1.00 0.00 H new ATOM 977 N ALA A 61 -1.359 5.997 2.527 1.00 0.00 N ATOM 978 CA ALA A 61 -1.309 5.598 1.092 1.00 0.00 C ATOM 979 C ALA A 61 -2.547 4.768 0.745 1.00 0.00 C ATOM 980 O ALA A 61 -3.157 4.951 -0.290 1.00 0.00 O ATOM 981 CB ALA A 61 -0.039 4.758 0.957 1.00 0.00 C ATOM 0 H ALA A 61 -0.667 5.548 3.127 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.297 6.455 0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.069 4.425 -0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.826 5.359 1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.105 3.890 1.613 1.00 0.00 H new ATOM 987 N PHE A 62 -2.930 3.863 1.606 1.00 0.00 N ATOM 988 CA PHE A 62 -4.137 3.036 1.323 1.00 0.00 C ATOM 989 C PHE A 62 -5.349 3.953 1.154 1.00 0.00 C ATOM 990 O PHE A 62 -6.134 3.806 0.236 1.00 0.00 O ATOM 991 CB PHE A 62 -4.299 2.142 2.552 1.00 0.00 C ATOM 992 CG PHE A 62 -5.660 1.490 2.528 1.00 0.00 C ATOM 993 CD1 PHE A 62 -6.257 1.158 1.306 1.00 0.00 C ATOM 994 CD2 PHE A 62 -6.325 1.214 3.729 1.00 0.00 C ATOM 995 CE1 PHE A 62 -7.515 0.556 1.283 1.00 0.00 C ATOM 996 CE2 PHE A 62 -7.586 0.610 3.706 1.00 0.00 C ATOM 997 CZ PHE A 62 -8.183 0.282 2.483 1.00 0.00 C ATOM 0 H PHE A 62 -2.461 3.662 2.489 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.045 2.447 0.410 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.520 1.380 2.565 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.183 2.732 3.461 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.743 1.368 0.380 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.864 1.467 4.672 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.974 0.301 0.339 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.099 0.397 4.632 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.158 -0.182 2.465 1.00 0.00 H new ATOM 1007 N ASN A 63 -5.494 4.916 2.023 1.00 0.00 N ATOM 1008 CA ASN A 63 -6.638 5.859 1.900 1.00 0.00 C ATOM 1009 C ASN A 63 -6.540 6.590 0.563 1.00 0.00 C ATOM 1010 O ASN A 63 -7.504 6.715 -0.166 1.00 0.00 O ATOM 1011 CB ASN A 63 -6.482 6.838 3.064 1.00 0.00 C ATOM 1012 CG ASN A 63 -7.279 6.334 4.268 1.00 0.00 C ATOM 1013 OD1 ASN A 63 -8.431 5.972 4.142 1.00 0.00 O ATOM 1014 ND2 ASN A 63 -6.709 6.295 5.443 1.00 0.00 N ATOM 0 H ASN A 63 -4.870 5.089 2.811 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.605 5.357 1.933 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.429 6.940 3.328 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.834 7.827 2.770 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.232 5.961 6.253 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.741 6.599 5.551 1.00 0.00 H new ATOM 1021 N ALA A 64 -5.370 7.058 0.229 1.00 0.00 N ATOM 1022 CA ALA A 64 -5.190 7.765 -1.069 1.00 0.00 C ATOM 1023 C ALA A 64 -5.514 6.803 -2.212 1.00 0.00 C ATOM 1024 O ALA A 64 -6.070 7.186 -3.223 1.00 0.00 O ATOM 1025 CB ALA A 64 -3.716 8.170 -1.105 1.00 0.00 C ATOM 0 H ALA A 64 -4.529 6.981 0.801 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.842 8.632 -1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.506 8.698 -2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.497 8.823 -0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.092 7.278 -1.045 1.00 0.00 H new ATOM 1031 N TYR A 65 -5.179 5.552 -2.052 1.00 0.00 N ATOM 1032 CA TYR A 65 -5.473 4.556 -3.116 1.00 0.00 C ATOM 1033 C TYR A 65 -6.986 4.483 -3.341 1.00 0.00 C ATOM 1034 O TYR A 65 -7.456 4.440 -4.461 1.00 0.00 O ATOM 1035 CB TYR A 65 -4.942 3.230 -2.563 1.00 0.00 C ATOM 1036 CG TYR A 65 -5.594 2.078 -3.289 1.00 0.00 C ATOM 1037 CD1 TYR A 65 -5.024 1.587 -4.467 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -6.769 1.506 -2.784 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -5.628 0.523 -5.145 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -7.373 0.441 -3.462 1.00 0.00 C ATOM 1041 CZ TYR A 65 -6.802 -0.052 -4.642 1.00 0.00 C ATOM 1042 OH TYR A 65 -7.398 -1.104 -5.309 1.00 0.00 O ATOM 0 H TYR A 65 -4.712 5.177 -1.226 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.016 4.807 -4.073 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.860 3.182 -2.683 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.147 3.162 -1.495 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.118 2.029 -4.854 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.208 1.886 -1.873 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.189 0.145 -6.056 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.279 -0.001 -3.075 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.364 -1.090 -5.144 1.00 0.00 H new ATOM 1052 N LYS A 66 -7.750 4.473 -2.283 1.00 0.00 N ATOM 1053 CA LYS A 66 -9.229 4.407 -2.436 1.00 0.00 C ATOM 1054 C LYS A 66 -9.766 5.733 -2.987 1.00 0.00 C ATOM 1055 O LYS A 66 -10.713 5.763 -3.747 1.00 0.00 O ATOM 1056 CB LYS A 66 -9.759 4.158 -1.025 1.00 0.00 C ATOM 1057 CG LYS A 66 -9.086 2.917 -0.435 1.00 0.00 C ATOM 1058 CD LYS A 66 -9.958 2.352 0.687 1.00 0.00 C ATOM 1059 CE LYS A 66 -9.771 3.191 1.953 1.00 0.00 C ATOM 1060 NZ LYS A 66 -11.048 3.037 2.704 1.00 0.00 N ATOM 0 H LYS A 66 -7.413 4.508 -1.321 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.539 3.628 -3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.563 5.025 -0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.840 4.020 -1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.940 2.165 -1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.099 3.173 -0.050 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.005 2.358 0.386 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.689 1.314 0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.922 2.839 2.539 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.579 4.236 1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.019 3.624 3.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.842 3.339 2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.176 2.040 2.971 1.00 0.00 H new ATOM 1074 N VAL A 67 -9.167 6.831 -2.608 1.00 0.00 N ATOM 1075 CA VAL A 67 -9.644 8.153 -3.109 1.00 0.00 C ATOM 1076 C VAL A 67 -9.348 8.294 -4.605 1.00 0.00 C ATOM 1077 O VAL A 67 -9.948 9.094 -5.294 1.00 0.00 O ATOM 1078 CB VAL A 67 -8.854 9.192 -2.312 1.00 0.00 C ATOM 1079 CG1 VAL A 67 -9.162 10.591 -2.848 1.00 0.00 C ATOM 1080 CG2 VAL A 67 -9.254 9.114 -0.835 1.00 0.00 C ATOM 0 H VAL A 67 -8.369 6.869 -1.974 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.720 8.273 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.787 8.991 -2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.599 11.331 -2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.879 10.648 -3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.229 10.792 -2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.691 9.854 -0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.321 9.314 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.035 8.118 -0.451 1.00 0.00 H new