USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 423 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 26 GLN : amide:sc= -3.96! C(o=-6.8!,f=-3.6!) USER MOD Set 1.2: A 55 GLN : amide:sc= -2.88! K(o=-6.8!,f=-3.6) USER MOD Set 2.1: A 39 SER OG : rot -101:sc= 1.68 USER MOD Set 2.2: A 40 GLN : amide:sc= 1.46 K(o=3.7,f=0.42) USER MOD Set 2.3: A 43 ASN : amide:sc= 0.537 K(o=3.7,f=1.7) USER MOD Set 3.1: A 21 ASN : amide:sc= -1.74! C(o=-3.2!,f=-0.33!) USER MOD Set 3.2: A 52 ASN : amide:sc= -1.47! K(o=-3.2!,f=-0.33) USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0519) USER MOD Single : A 9 MET CE :methyl -175:sc= -0.0848 (180deg=-0.17) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.409 K(o=0.41,f=-2.9!) USER MOD Single : A 24 ASN : amide:sc= 0.39 K(o=0.39,f=-8.2!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 1.74 (180deg=1.52) USER MOD Single : A 33 SER OG : rot -41:sc= 0.00501 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 90:sc= 0.3 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 0.658 (180deg=0.621) USER MOD Single : A 58 LYS NZ :NH3+ 132:sc= -0.0402 (180deg=-0.617) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 7 -0.491 13.063 -0.458 1.00 0.00 N ATOM 100 CA LYS A 7 -1.541 12.828 -1.460 1.00 0.00 C ATOM 101 C LYS A 7 -1.383 11.437 -2.083 1.00 0.00 C ATOM 102 O LYS A 7 -2.357 10.677 -2.203 1.00 0.00 O ATOM 103 CB LYS A 7 -1.473 13.897 -2.562 1.00 0.00 C ATOM 104 CG LYS A 7 -1.716 15.295 -1.965 1.00 0.00 C ATOM 105 CD LYS A 7 -3.150 15.389 -1.414 1.00 0.00 C ATOM 106 CE LYS A 7 -3.486 16.844 -1.076 1.00 0.00 C ATOM 107 NZ LYS A 7 -2.663 17.288 0.086 1.00 0.00 N ATOM 0 HA LYS A 7 -2.509 12.887 -0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.498 13.866 -3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.219 13.687 -3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.998 15.489 -1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.560 16.058 -2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.857 15.005 -2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.248 14.768 -0.523 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.292 17.483 -1.938 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.546 16.938 -0.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.962 18.240 0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.792 16.625 0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.660 17.310 -0.187 1.00 0.00 H new ATOM 121 N GLU A 8 -0.147 11.108 -2.461 1.00 0.00 N ATOM 122 CA GLU A 8 0.155 9.810 -3.060 1.00 0.00 C ATOM 123 C GLU A 8 -0.152 8.687 -2.067 1.00 0.00 C ATOM 124 O GLU A 8 -0.598 7.604 -2.458 1.00 0.00 O ATOM 125 CB GLU A 8 1.633 9.758 -3.474 1.00 0.00 C ATOM 126 CG GLU A 8 1.928 8.452 -4.233 1.00 0.00 C ATOM 127 CD GLU A 8 3.412 8.373 -4.604 1.00 0.00 C ATOM 128 OE1 GLU A 8 4.229 8.289 -3.699 1.00 0.00 O ATOM 129 OE2 GLU A 8 3.712 8.398 -5.788 1.00 0.00 O ATOM 0 H GLU A 8 0.660 11.723 -2.362 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.467 9.675 -3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.872 10.615 -4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.268 9.825 -2.591 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.655 7.596 -3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.318 8.402 -5.135 1.00 0.00 H new ATOM 136 N MET A 9 0.092 8.963 -0.780 1.00 0.00 N ATOM 137 CA MET A 9 -0.156 7.979 0.276 1.00 0.00 C ATOM 138 C MET A 9 -1.639 7.625 0.329 1.00 0.00 C ATOM 139 O MET A 9 -1.994 6.457 0.494 1.00 0.00 O ATOM 140 CB MET A 9 0.289 8.538 1.636 1.00 0.00 C ATOM 141 CG MET A 9 1.781 8.883 1.589 1.00 0.00 C ATOM 142 SD MET A 9 2.297 9.574 3.179 1.00 0.00 S ATOM 143 CE MET A 9 3.880 10.240 2.612 1.00 0.00 C ATOM 0 H MET A 9 0.459 9.855 -0.448 1.00 0.00 H new ATOM 0 HA MET A 9 0.418 7.080 0.053 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.292 9.427 1.883 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.100 7.806 2.421 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.364 7.990 1.363 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.974 9.599 0.790 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.429 10.647 3.461 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.464 9.445 2.149 1.00 0.00 H new ATOM 0 HE3 MET A 9 3.702 11.031 1.883 1.00 0.00 H new ATOM 153 N ARG A 10 -2.499 8.641 0.173 1.00 0.00 N ATOM 154 CA ARG A 10 -3.947 8.420 0.187 1.00 0.00 C ATOM 155 C ARG A 10 -4.338 7.508 -0.975 1.00 0.00 C ATOM 156 O ARG A 10 -5.165 6.602 -0.820 1.00 0.00 O ATOM 157 CB ARG A 10 -4.700 9.757 0.066 1.00 0.00 C ATOM 158 CG ARG A 10 -4.398 10.652 1.280 1.00 0.00 C ATOM 159 CD ARG A 10 -5.177 11.971 1.164 1.00 0.00 C ATOM 160 NE ARG A 10 -4.555 13.003 2.002 1.00 0.00 N ATOM 161 CZ ARG A 10 -5.097 14.215 2.156 1.00 0.00 C ATOM 162 NH1 ARG A 10 -6.230 14.519 1.582 1.00 0.00 N ATOM 163 NH2 ARG A 10 -4.486 15.103 2.885 1.00 0.00 N ATOM 0 H ARG A 10 -2.219 9.612 0.037 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.218 7.949 1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.406 10.266 -0.852 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.772 9.573 -0.001 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.673 10.137 2.200 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.329 10.855 1.336 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.197 12.300 0.125 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.212 11.819 1.470 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.681 12.788 2.482 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.712 13.828 1.008 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.632 15.448 1.708 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.600 14.872 3.334 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.893 16.030 3.007 1.00 0.00 H new ATOM 177 N ASN A 11 -3.730 7.756 -2.141 1.00 0.00 N ATOM 178 CA ASN A 11 -4.013 6.952 -3.332 1.00 0.00 C ATOM 179 C ASN A 11 -3.609 5.489 -3.117 1.00 0.00 C ATOM 180 O ASN A 11 -4.402 4.578 -3.368 1.00 0.00 O ATOM 181 CB ASN A 11 -3.262 7.526 -4.540 1.00 0.00 C ATOM 182 CG ASN A 11 -3.691 6.803 -5.813 1.00 0.00 C ATOM 183 OD1 ASN A 11 -2.921 6.029 -6.383 1.00 0.00 O ATOM 184 ND2 ASN A 11 -4.886 7.008 -6.295 1.00 0.00 N ATOM 0 H ASN A 11 -3.046 8.499 -2.283 1.00 0.00 H new ATOM 0 HA ASN A 11 -5.086 6.987 -3.520 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -3.466 8.593 -4.632 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.187 7.418 -4.395 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.183 6.527 -7.144 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.523 7.649 -5.823 1.00 0.00 H new ATOM 191 N ALA A 12 -2.371 5.271 -2.649 1.00 0.00 N ATOM 192 CA ALA A 12 -1.877 3.908 -2.408 1.00 0.00 C ATOM 193 C ALA A 12 -2.626 3.249 -1.245 1.00 0.00 C ATOM 194 O ALA A 12 -2.870 2.044 -1.265 1.00 0.00 O ATOM 195 CB ALA A 12 -0.367 3.927 -2.119 1.00 0.00 C ATOM 0 H ALA A 12 -1.702 6.010 -2.433 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.058 3.322 -3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.017 2.910 -1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.162 4.349 -2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.173 4.535 -1.236 1.00 0.00 H new ATOM 201 N TYR A 13 -2.991 4.054 -0.237 1.00 0.00 N ATOM 202 CA TYR A 13 -3.718 3.558 0.945 1.00 0.00 C ATOM 203 C TYR A 13 -5.010 2.835 0.528 1.00 0.00 C ATOM 204 O TYR A 13 -5.262 1.695 0.937 1.00 0.00 O ATOM 205 CB TYR A 13 -4.048 4.764 1.858 1.00 0.00 C ATOM 206 CG TYR A 13 -4.787 4.331 3.118 1.00 0.00 C ATOM 207 CD1 TYR A 13 -6.170 4.102 3.076 1.00 0.00 C ATOM 208 CD2 TYR A 13 -4.093 4.181 4.327 1.00 0.00 C ATOM 209 CE1 TYR A 13 -6.854 3.721 4.236 1.00 0.00 C ATOM 210 CE2 TYR A 13 -4.779 3.798 5.486 1.00 0.00 C ATOM 211 CZ TYR A 13 -6.159 3.568 5.440 1.00 0.00 C ATOM 212 OH TYR A 13 -6.834 3.192 6.584 1.00 0.00 O ATOM 0 H TYR A 13 -2.795 5.055 -0.215 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.096 2.841 1.482 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.125 5.274 2.134 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.657 5.481 1.308 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.708 4.220 2.147 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.029 4.361 4.364 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.919 3.545 4.201 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.243 3.680 6.416 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.203 3.130 7.331 1.00 0.00 H new ATOM 222 N TRP A 14 -5.809 3.517 -0.288 1.00 0.00 N ATOM 223 CA TRP A 14 -7.074 2.968 -0.772 1.00 0.00 C ATOM 224 C TRP A 14 -6.848 1.759 -1.689 1.00 0.00 C ATOM 225 O TRP A 14 -7.534 0.741 -1.560 1.00 0.00 O ATOM 226 CB TRP A 14 -7.827 4.063 -1.532 1.00 0.00 C ATOM 227 CG TRP A 14 -9.208 3.600 -1.894 1.00 0.00 C ATOM 228 CD1 TRP A 14 -10.251 3.517 -1.034 1.00 0.00 C ATOM 229 CD2 TRP A 14 -9.714 3.164 -3.191 1.00 0.00 C ATOM 230 NE1 TRP A 14 -11.361 3.056 -1.720 1.00 0.00 N ATOM 231 CE2 TRP A 14 -11.081 2.824 -3.051 1.00 0.00 C ATOM 232 CE3 TRP A 14 -9.125 3.031 -4.462 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -11.837 2.370 -4.132 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -9.883 2.573 -5.553 1.00 0.00 C ATOM 235 CH2 TRP A 14 -11.236 2.243 -5.388 1.00 0.00 C ATOM 0 H TRP A 14 -5.602 4.455 -0.630 1.00 0.00 H new ATOM 0 HA TRP A 14 -7.658 2.628 0.083 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -7.888 4.962 -0.919 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.278 4.329 -2.435 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -10.221 3.769 0.016 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -12.275 2.906 -1.293 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -8.084 3.283 -4.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -12.879 2.118 -4.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -9.421 2.475 -6.524 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -11.813 1.891 -6.230 1.00 0.00 H new ATOM 246 N GLU A 15 -5.899 1.894 -2.622 1.00 0.00 N ATOM 247 CA GLU A 15 -5.598 0.823 -3.579 1.00 0.00 C ATOM 248 C GLU A 15 -5.147 -0.460 -2.872 1.00 0.00 C ATOM 249 O GLU A 15 -5.550 -1.558 -3.266 1.00 0.00 O ATOM 250 CB GLU A 15 -4.516 1.292 -4.563 1.00 0.00 C ATOM 251 CG GLU A 15 -5.112 2.328 -5.537 1.00 0.00 C ATOM 252 CD GLU A 15 -4.066 2.825 -6.553 1.00 0.00 C ATOM 253 OE1 GLU A 15 -2.880 2.793 -6.249 1.00 0.00 O ATOM 254 OE2 GLU A 15 -4.472 3.236 -7.629 1.00 0.00 O ATOM 0 H GLU A 15 -5.328 2.731 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.514 0.594 -4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.680 1.730 -4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.123 0.441 -5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.954 1.885 -6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.502 3.175 -4.973 1.00 0.00 H new ATOM 261 N ILE A 16 -4.324 -0.321 -1.828 1.00 0.00 N ATOM 262 CA ILE A 16 -3.850 -1.489 -1.078 1.00 0.00 C ATOM 263 C ILE A 16 -5.032 -2.195 -0.407 1.00 0.00 C ATOM 264 O ILE A 16 -5.246 -3.396 -0.610 1.00 0.00 O ATOM 265 CB ILE A 16 -2.818 -1.055 -0.015 1.00 0.00 C ATOM 266 CG1 ILE A 16 -1.529 -0.571 -0.708 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.477 -2.236 0.916 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.678 0.233 0.284 1.00 0.00 C ATOM 0 H ILE A 16 -3.976 0.575 -1.486 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.371 -2.182 -1.770 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.247 -0.245 0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.962 -1.425 -1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.779 0.046 -1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.748 -1.914 1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.382 -2.576 1.419 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.059 -3.053 0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.232 0.573 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.245 1.096 0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.416 -0.398 1.133 1.00 0.00 H new ATOM 280 N ALA A 17 -5.790 -1.434 0.389 1.00 0.00 N ATOM 281 CA ALA A 17 -6.947 -1.980 1.103 1.00 0.00 C ATOM 282 C ALA A 17 -7.953 -2.613 0.138 1.00 0.00 C ATOM 283 O ALA A 17 -8.642 -3.573 0.498 1.00 0.00 O ATOM 284 CB ALA A 17 -7.630 -0.872 1.909 1.00 0.00 C ATOM 0 H ALA A 17 -5.623 -0.441 0.554 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.590 -2.759 1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.490 -1.284 2.438 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.924 -0.459 2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.963 -0.084 1.234 1.00 0.00 H new ATOM 290 N LEU A 18 -8.033 -2.066 -1.080 1.00 0.00 N ATOM 291 CA LEU A 18 -8.960 -2.577 -2.095 1.00 0.00 C ATOM 292 C LEU A 18 -8.638 -4.033 -2.456 1.00 0.00 C ATOM 293 O LEU A 18 -9.552 -4.829 -2.691 1.00 0.00 O ATOM 294 CB LEU A 18 -8.893 -1.699 -3.356 1.00 0.00 C ATOM 295 CG LEU A 18 -9.973 -2.124 -4.372 1.00 0.00 C ATOM 296 CD1 LEU A 18 -11.370 -1.760 -3.844 1.00 0.00 C ATOM 297 CD2 LEU A 18 -9.729 -1.404 -5.708 1.00 0.00 C ATOM 0 H LEU A 18 -7.469 -1.273 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.968 -2.543 -1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.033 -0.653 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.906 -1.781 -3.811 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.918 -3.203 -4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.124 -2.065 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.547 -2.274 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.431 -0.683 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.491 -1.703 -6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.778 -0.326 -5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.744 -1.671 -6.091 1.00 0.00 H new ATOM 309 N LEU A 19 -7.341 -4.375 -2.505 1.00 0.00 N ATOM 310 CA LEU A 19 -6.931 -5.744 -2.850 1.00 0.00 C ATOM 311 C LEU A 19 -7.353 -6.722 -1.735 1.00 0.00 C ATOM 312 O LEU A 19 -6.955 -6.549 -0.578 1.00 0.00 O ATOM 313 CB LEU A 19 -5.402 -5.792 -3.055 1.00 0.00 C ATOM 314 CG LEU A 19 -5.017 -5.645 -4.551 1.00 0.00 C ATOM 315 CD1 LEU A 19 -5.869 -4.576 -5.258 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.536 -5.246 -4.655 1.00 0.00 C ATOM 0 H LEU A 19 -6.570 -3.735 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.423 -6.042 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.933 -4.995 -2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.013 -6.735 -2.670 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.197 -6.603 -5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.568 -4.504 -6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.922 -4.854 -5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.721 -3.612 -4.771 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.260 -5.141 -5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.378 -4.297 -4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.918 -6.016 -4.193 1.00 0.00 H new ATOM 328 N PRO A 20 -8.161 -7.728 -2.054 1.00 0.00 N ATOM 329 CA PRO A 20 -8.660 -8.734 -1.057 1.00 0.00 C ATOM 330 C PRO A 20 -7.733 -9.941 -0.839 1.00 0.00 C ATOM 331 O PRO A 20 -7.668 -10.480 0.268 1.00 0.00 O ATOM 332 CB PRO A 20 -9.975 -9.185 -1.691 1.00 0.00 C ATOM 333 CG PRO A 20 -9.714 -9.147 -3.163 1.00 0.00 C ATOM 334 CD PRO A 20 -8.702 -8.021 -3.401 1.00 0.00 C ATOM 0 HA PRO A 20 -8.739 -8.298 -0.061 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.251 -10.187 -1.363 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.796 -8.522 -1.416 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.320 -10.102 -3.511 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.636 -8.962 -3.715 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.914 -8.332 -4.087 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.178 -7.143 -3.838 1.00 0.00 H new ATOM 342 N ASN A 21 -7.050 -10.380 -1.902 1.00 0.00 N ATOM 343 CA ASN A 21 -6.166 -11.553 -1.814 1.00 0.00 C ATOM 344 C ASN A 21 -5.021 -11.337 -0.827 1.00 0.00 C ATOM 345 O ASN A 21 -4.424 -12.312 -0.361 1.00 0.00 O ATOM 346 CB ASN A 21 -5.597 -11.951 -3.198 1.00 0.00 C ATOM 347 CG ASN A 21 -5.687 -10.803 -4.201 1.00 0.00 C ATOM 348 OD1 ASN A 21 -5.273 -9.682 -3.909 1.00 0.00 O ATOM 349 ND2 ASN A 21 -6.207 -11.024 -5.376 1.00 0.00 N ATOM 0 H ASN A 21 -7.090 -9.948 -2.825 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.786 -12.371 -1.445 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.557 -12.257 -3.089 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.144 -12.812 -3.582 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.271 -10.266 -6.056 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.549 -11.955 -5.615 1.00 0.00 H new ATOM 356 N LEU A 22 -4.709 -10.075 -0.512 1.00 0.00 N ATOM 357 CA LEU A 22 -3.620 -9.796 0.425 1.00 0.00 C ATOM 358 C LEU A 22 -3.979 -10.305 1.803 1.00 0.00 C ATOM 359 O LEU A 22 -5.037 -9.966 2.340 1.00 0.00 O ATOM 360 CB LEU A 22 -3.325 -8.295 0.546 1.00 0.00 C ATOM 361 CG LEU A 22 -3.097 -7.662 -0.829 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.240 -6.138 -0.714 1.00 0.00 C ATOM 363 CD2 LEU A 22 -1.686 -7.988 -1.326 1.00 0.00 C ATOM 0 H LEU A 22 -5.182 -9.251 -0.882 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.737 -10.301 0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.157 -7.797 1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.444 -8.144 1.169 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.832 -8.058 -1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.078 -5.683 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.241 -5.892 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.502 -5.755 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.531 -7.534 -2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.952 -7.593 -0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.569 -9.069 -1.404 1.00 0.00 H new ATOM 375 N ASN A 23 -3.077 -11.105 2.370 1.00 0.00 N ATOM 376 CA ASN A 23 -3.274 -11.661 3.719 1.00 0.00 C ATOM 377 C ASN A 23 -3.649 -10.542 4.701 1.00 0.00 C ATOM 378 O ASN A 23 -3.208 -9.399 4.546 1.00 0.00 O ATOM 379 CB ASN A 23 -1.996 -12.357 4.203 1.00 0.00 C ATOM 380 CG ASN A 23 -2.249 -13.060 5.537 1.00 0.00 C ATOM 381 OD1 ASN A 23 -1.953 -12.509 6.598 1.00 0.00 O ATOM 382 ND2 ASN A 23 -2.785 -14.251 5.547 1.00 0.00 N ATOM 0 H ASN A 23 -2.204 -11.385 1.923 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.082 -12.391 3.675 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.664 -13.081 3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.195 -11.626 4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.958 -14.725 6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.030 -14.707 4.668 1.00 0.00 H new ATOM 389 N ASN A 24 -4.479 -10.881 5.697 1.00 0.00 N ATOM 390 CA ASN A 24 -4.952 -9.910 6.703 1.00 0.00 C ATOM 391 C ASN A 24 -3.802 -9.110 7.333 1.00 0.00 C ATOM 392 O ASN A 24 -3.933 -7.906 7.566 1.00 0.00 O ATOM 393 CB ASN A 24 -5.716 -10.654 7.806 1.00 0.00 C ATOM 394 CG ASN A 24 -6.413 -9.658 8.731 1.00 0.00 C ATOM 395 OD1 ASN A 24 -6.033 -9.514 9.892 1.00 0.00 O ATOM 396 ND2 ASN A 24 -7.417 -8.957 8.282 1.00 0.00 N ATOM 0 H ASN A 24 -4.841 -11.825 5.831 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.603 -9.201 6.193 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.452 -11.323 7.360 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.028 -11.274 8.380 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.887 -8.289 8.894 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.732 -9.076 7.319 1.00 0.00 H new ATOM 403 N GLN A 25 -2.685 -9.789 7.601 1.00 0.00 N ATOM 404 CA GLN A 25 -1.517 -9.137 8.201 1.00 0.00 C ATOM 405 C GLN A 25 -0.835 -8.186 7.211 1.00 0.00 C ATOM 406 O GLN A 25 -0.411 -7.089 7.584 1.00 0.00 O ATOM 407 CB GLN A 25 -0.511 -10.199 8.667 1.00 0.00 C ATOM 408 CG GLN A 25 -1.125 -11.029 9.807 1.00 0.00 C ATOM 409 CD GLN A 25 -0.167 -12.140 10.251 1.00 0.00 C ATOM 410 OE1 GLN A 25 0.664 -12.608 9.471 1.00 0.00 O ATOM 411 NE2 GLN A 25 -0.237 -12.594 11.472 1.00 0.00 N ATOM 0 H GLN A 25 -2.564 -10.784 7.414 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.861 -8.552 9.054 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.242 -10.849 7.835 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.407 -9.720 9.007 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.353 -10.380 10.653 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.068 -11.466 9.477 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.924 -12.209 12.121 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.395 -13.334 11.778 1.00 0.00 H new ATOM 420 N GLN A 26 -0.715 -8.626 5.956 1.00 0.00 N ATOM 421 CA GLN A 26 -0.057 -7.826 4.918 1.00 0.00 C ATOM 422 C GLN A 26 -0.770 -6.491 4.676 1.00 0.00 C ATOM 423 O GLN A 26 -0.112 -5.471 4.451 1.00 0.00 O ATOM 424 CB GLN A 26 0.015 -8.625 3.609 1.00 0.00 C ATOM 425 CG GLN A 26 0.963 -9.821 3.786 1.00 0.00 C ATOM 426 CD GLN A 26 1.039 -10.633 2.495 1.00 0.00 C ATOM 427 OE1 GLN A 26 2.113 -10.782 1.912 1.00 0.00 O ATOM 428 NE2 GLN A 26 -0.047 -11.166 2.008 1.00 0.00 N ATOM 0 H GLN A 26 -1.063 -9.529 5.634 1.00 0.00 H new ATOM 0 HA GLN A 26 0.950 -7.600 5.269 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.979 -8.974 3.329 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.367 -7.985 2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.957 -9.468 4.061 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.613 -10.454 4.601 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.937 -11.042 2.491 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.007 -11.706 1.144 1.00 0.00 H new ATOM 437 N LYS A 27 -2.108 -6.491 4.715 1.00 0.00 N ATOM 438 CA LYS A 27 -2.871 -5.257 4.481 1.00 0.00 C ATOM 439 C LYS A 27 -2.412 -4.142 5.427 1.00 0.00 C ATOM 440 O LYS A 27 -1.884 -3.122 4.981 1.00 0.00 O ATOM 441 CB LYS A 27 -4.374 -5.519 4.673 1.00 0.00 C ATOM 442 CG LYS A 27 -4.890 -6.447 3.561 1.00 0.00 C ATOM 443 CD LYS A 27 -6.388 -6.732 3.765 1.00 0.00 C ATOM 444 CE LYS A 27 -7.235 -5.532 3.301 1.00 0.00 C ATOM 445 NZ LYS A 27 -7.890 -5.853 1.998 1.00 0.00 N ATOM 0 H LYS A 27 -2.678 -7.316 4.903 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.690 -4.935 3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.551 -5.972 5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.921 -4.577 4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.729 -5.985 2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.330 -7.382 3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.674 -7.624 3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.585 -6.938 4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.990 -5.296 4.051 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.605 -4.649 3.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.246 -4.978 1.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.198 -6.299 1.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.683 -6.507 2.160 1.00 0.00 H new ATOM 459 N ARG A 28 -2.605 -4.358 6.727 1.00 0.00 N ATOM 460 CA ARG A 28 -2.206 -3.381 7.743 1.00 0.00 C ATOM 461 C ARG A 28 -0.692 -3.139 7.717 1.00 0.00 C ATOM 462 O ARG A 28 -0.235 -2.033 8.011 1.00 0.00 O ATOM 463 CB ARG A 28 -2.606 -3.871 9.145 1.00 0.00 C ATOM 464 CG ARG A 28 -4.130 -4.048 9.236 1.00 0.00 C ATOM 465 CD ARG A 28 -4.532 -4.343 10.690 1.00 0.00 C ATOM 466 NE ARG A 28 -5.824 -5.034 10.733 1.00 0.00 N ATOM 467 CZ ARG A 28 -5.931 -6.347 10.507 1.00 0.00 C ATOM 468 NH1 ARG A 28 -4.878 -7.060 10.213 1.00 0.00 N ATOM 469 NH2 ARG A 28 -7.096 -6.923 10.575 1.00 0.00 N ATOM 0 H ARG A 28 -3.036 -5.202 7.104 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.719 -2.447 7.516 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.110 -4.817 9.362 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.271 -3.156 9.896 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.632 -3.146 8.886 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.450 -4.863 8.587 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.768 -4.957 11.168 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.591 -3.412 11.254 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.666 -4.497 10.941 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.962 -6.616 10.154 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.971 -8.061 10.043 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.925 -6.373 10.800 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.180 -7.925 10.403 1.00 0.00 H new ATOM 483 N ALA A 29 0.077 -4.187 7.391 1.00 0.00 N ATOM 484 CA ALA A 29 1.538 -4.087 7.361 1.00 0.00 C ATOM 485 C ALA A 29 2.017 -3.011 6.380 1.00 0.00 C ATOM 486 O ALA A 29 2.702 -2.069 6.787 1.00 0.00 O ATOM 487 CB ALA A 29 2.148 -5.444 6.988 1.00 0.00 C ATOM 0 H ALA A 29 -0.288 -5.107 7.146 1.00 0.00 H new ATOM 0 HA ALA A 29 1.870 -3.797 8.358 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.235 -5.361 6.968 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.855 -6.190 7.726 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.789 -5.746 6.004 1.00 0.00 H new ATOM 493 N PHE A 30 1.664 -3.153 5.096 1.00 0.00 N ATOM 494 CA PHE A 30 2.081 -2.172 4.081 1.00 0.00 C ATOM 495 C PHE A 30 1.525 -0.781 4.399 1.00 0.00 C ATOM 496 O PHE A 30 2.251 0.220 4.327 1.00 0.00 O ATOM 497 CB PHE A 30 1.626 -2.620 2.683 1.00 0.00 C ATOM 498 CG PHE A 30 2.619 -3.624 2.127 1.00 0.00 C ATOM 499 CD1 PHE A 30 2.456 -4.994 2.372 1.00 0.00 C ATOM 500 CD2 PHE A 30 3.710 -3.180 1.369 1.00 0.00 C ATOM 501 CE1 PHE A 30 3.379 -5.913 1.864 1.00 0.00 C ATOM 502 CE2 PHE A 30 4.633 -4.099 0.859 1.00 0.00 C ATOM 503 CZ PHE A 30 4.469 -5.466 1.105 1.00 0.00 C ATOM 0 H PHE A 30 1.100 -3.924 4.737 1.00 0.00 H new ATOM 0 HA PHE A 30 3.169 -2.115 4.095 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.633 -3.066 2.737 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.553 -1.759 2.019 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.615 -5.341 2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.839 -2.125 1.178 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.252 -6.968 2.057 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.473 -3.753 0.275 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.181 -6.176 0.711 1.00 0.00 H new ATOM 513 N ILE A 31 0.242 -0.726 4.767 1.00 0.00 N ATOM 514 CA ILE A 31 -0.412 0.541 5.114 1.00 0.00 C ATOM 515 C ILE A 31 0.397 1.274 6.199 1.00 0.00 C ATOM 516 O ILE A 31 0.584 2.491 6.125 1.00 0.00 O ATOM 517 CB ILE A 31 -1.852 0.257 5.598 1.00 0.00 C ATOM 518 CG1 ILE A 31 -2.701 -0.314 4.426 1.00 0.00 C ATOM 519 CG2 ILE A 31 -2.499 1.534 6.166 1.00 0.00 C ATOM 520 CD1 ILE A 31 -3.225 0.799 3.503 1.00 0.00 C ATOM 0 H ILE A 31 -0.365 -1.543 4.833 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.456 1.183 4.235 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.813 -0.483 6.397 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.097 -1.012 3.846 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.542 -0.878 4.828 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.512 1.311 6.501 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.910 1.896 7.009 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.533 2.300 5.391 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.813 0.358 2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.851 1.483 4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.383 1.347 3.079 1.00 0.00 H new ATOM 532 N ARG A 32 0.879 0.515 7.192 1.00 0.00 N ATOM 533 CA ARG A 32 1.680 1.082 8.284 1.00 0.00 C ATOM 534 C ARG A 32 3.126 1.353 7.840 1.00 0.00 C ATOM 535 O ARG A 32 3.757 2.306 8.315 1.00 0.00 O ATOM 536 CB ARG A 32 1.680 0.123 9.484 1.00 0.00 C ATOM 537 CG ARG A 32 0.272 0.043 10.103 1.00 0.00 C ATOM 538 CD ARG A 32 0.034 1.239 11.038 1.00 0.00 C ATOM 539 NE ARG A 32 0.942 1.178 12.187 1.00 0.00 N ATOM 540 CZ ARG A 32 0.742 0.342 13.210 1.00 0.00 C ATOM 541 NH1 ARG A 32 -0.284 -0.465 13.223 1.00 0.00 N ATOM 542 NH2 ARG A 32 1.580 0.331 14.206 1.00 0.00 N ATOM 0 H ARG A 32 0.728 -0.491 7.261 1.00 0.00 H new ATOM 0 HA ARG A 32 1.230 2.032 8.571 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.002 -0.869 9.166 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.395 0.465 10.232 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.480 0.034 9.314 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.163 -0.889 10.658 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.188 2.171 10.494 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.000 1.239 11.383 1.00 0.00 H new ATOM 0 HE ARG A 32 1.754 1.795 12.206 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.945 -0.462 12.446 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.425 -1.098 14.010 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.384 0.958 14.203 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.432 -0.305 14.990 1.00 0.00 H new ATOM 556 N SER A 33 3.653 0.500 6.945 1.00 0.00 N ATOM 557 CA SER A 33 5.035 0.649 6.468 1.00 0.00 C ATOM 558 C SER A 33 5.246 2.021 5.825 1.00 0.00 C ATOM 559 O SER A 33 6.340 2.585 5.912 1.00 0.00 O ATOM 560 CB SER A 33 5.394 -0.463 5.470 1.00 0.00 C ATOM 561 OG SER A 33 4.826 -0.179 4.198 1.00 0.00 O ATOM 0 H SER A 33 3.149 -0.290 6.542 1.00 0.00 H new ATOM 0 HA SER A 33 5.694 0.566 7.332 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.477 -0.548 5.383 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.027 -1.422 5.835 1.00 0.00 H new ATOM 0 HG SER A 33 3.921 0.178 4.316 1.00 0.00 H new ATOM 567 N LEU A 34 4.187 2.565 5.199 1.00 0.00 N ATOM 568 CA LEU A 34 4.271 3.895 4.567 1.00 0.00 C ATOM 569 C LEU A 34 4.662 4.955 5.603 1.00 0.00 C ATOM 570 O LEU A 34 5.490 5.827 5.330 1.00 0.00 O ATOM 571 CB LEU A 34 2.919 4.277 3.927 1.00 0.00 C ATOM 572 CG LEU A 34 2.923 3.965 2.412 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.814 2.956 2.073 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.696 5.266 1.622 1.00 0.00 C ATOM 0 H LEU A 34 3.276 2.113 5.117 1.00 0.00 H new ATOM 0 HA LEU A 34 5.034 3.853 3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.113 3.729 4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.723 5.338 4.084 1.00 0.00 H new ATOM 0 HG LEU A 34 3.886 3.533 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.828 2.745 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.981 2.032 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.845 3.374 2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.698 5.048 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.736 5.699 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.493 5.974 1.850 1.00 0.00 H new ATOM 586 N TYR A 35 4.073 4.848 6.797 1.00 0.00 N ATOM 587 CA TYR A 35 4.376 5.776 7.885 1.00 0.00 C ATOM 588 C TYR A 35 5.832 5.603 8.315 1.00 0.00 C ATOM 589 O TYR A 35 6.549 6.583 8.533 1.00 0.00 O ATOM 590 CB TYR A 35 3.447 5.506 9.076 1.00 0.00 C ATOM 591 CG TYR A 35 3.658 6.561 10.148 1.00 0.00 C ATOM 592 CD1 TYR A 35 2.982 7.787 10.069 1.00 0.00 C ATOM 593 CD2 TYR A 35 4.529 6.313 11.220 1.00 0.00 C ATOM 594 CE1 TYR A 35 3.175 8.760 11.057 1.00 0.00 C ATOM 595 CE2 TYR A 35 4.720 7.288 12.207 1.00 0.00 C ATOM 596 CZ TYR A 35 4.044 8.511 12.125 1.00 0.00 C ATOM 597 OH TYR A 35 4.233 9.470 13.098 1.00 0.00 O ATOM 0 H TYR A 35 3.387 4.131 7.032 1.00 0.00 H new ATOM 0 HA TYR A 35 4.221 6.798 7.539 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.408 5.513 8.746 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.645 4.515 9.485 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.312 7.981 9.245 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.052 5.370 11.284 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.653 9.703 10.995 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.390 7.096 13.032 1.00 0.00 H new ATOM 0 HH TYR A 35 4.866 9.136 13.767 1.00 0.00 H new ATOM 607 N ASP A 36 6.245 4.337 8.438 1.00 0.00 N ATOM 608 CA ASP A 36 7.613 4.003 8.846 1.00 0.00 C ATOM 609 C ASP A 36 8.647 4.573 7.869 1.00 0.00 C ATOM 610 O ASP A 36 9.714 5.030 8.288 1.00 0.00 O ATOM 611 CB ASP A 36 7.773 2.479 8.936 1.00 0.00 C ATOM 612 CG ASP A 36 9.136 2.129 9.538 1.00 0.00 C ATOM 613 OD1 ASP A 36 9.240 2.115 10.754 1.00 0.00 O ATOM 614 OD2 ASP A 36 10.056 1.881 8.774 1.00 0.00 O ATOM 0 H ASP A 36 5.651 3.527 8.261 1.00 0.00 H new ATOM 0 HA ASP A 36 7.789 4.451 9.824 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.977 2.057 9.549 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.680 2.036 7.944 1.00 0.00 H new ATOM 619 N ASP A 37 8.326 4.538 6.567 1.00 0.00 N ATOM 620 CA ASP A 37 9.235 5.052 5.534 1.00 0.00 C ATOM 621 C ASP A 37 8.439 5.527 4.301 1.00 0.00 C ATOM 622 O ASP A 37 8.203 4.750 3.367 1.00 0.00 O ATOM 623 CB ASP A 37 10.259 3.959 5.138 1.00 0.00 C ATOM 624 CG ASP A 37 11.688 4.466 5.360 1.00 0.00 C ATOM 625 OD1 ASP A 37 12.091 5.372 4.646 1.00 0.00 O ATOM 626 OD2 ASP A 37 12.357 3.942 6.237 1.00 0.00 O ATOM 0 H ASP A 37 7.449 4.161 6.207 1.00 0.00 H new ATOM 0 HA ASP A 37 9.777 5.908 5.936 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.089 3.060 5.730 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.122 3.684 4.092 1.00 0.00 H new ATOM 631 N PRO A 38 8.014 6.780 4.276 1.00 0.00 N ATOM 632 CA PRO A 38 7.230 7.337 3.126 1.00 0.00 C ATOM 633 C PRO A 38 8.047 7.356 1.831 1.00 0.00 C ATOM 634 O PRO A 38 7.487 7.448 0.736 1.00 0.00 O ATOM 635 CB PRO A 38 6.856 8.757 3.577 1.00 0.00 C ATOM 636 CG PRO A 38 7.833 9.111 4.648 1.00 0.00 C ATOM 637 CD PRO A 38 8.233 7.802 5.323 1.00 0.00 C ATOM 0 HA PRO A 38 6.355 6.729 2.895 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.914 9.460 2.746 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.833 8.792 3.953 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.705 9.612 4.227 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.387 9.798 5.368 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.273 7.823 5.650 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.625 7.606 6.206 1.00 0.00 H new ATOM 645 N SER A 39 9.368 7.267 1.971 1.00 0.00 N ATOM 646 CA SER A 39 10.266 7.274 0.817 1.00 0.00 C ATOM 647 C SER A 39 9.988 6.091 -0.118 1.00 0.00 C ATOM 648 O SER A 39 10.312 6.153 -1.308 1.00 0.00 O ATOM 649 CB SER A 39 11.724 7.224 1.292 1.00 0.00 C ATOM 650 OG SER A 39 11.987 5.958 1.892 1.00 0.00 O ATOM 0 H SER A 39 9.841 7.189 2.872 1.00 0.00 H new ATOM 0 HA SER A 39 10.090 8.195 0.261 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.397 7.386 0.450 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.911 8.024 2.009 1.00 0.00 H new ATOM 0 HG SER A 39 11.963 6.047 2.868 1.00 0.00 H new ATOM 656 N GLN A 40 9.408 5.011 0.430 1.00 0.00 N ATOM 657 CA GLN A 40 9.116 3.808 -0.360 1.00 0.00 C ATOM 658 C GLN A 40 7.644 3.746 -0.798 1.00 0.00 C ATOM 659 O GLN A 40 7.218 2.732 -1.348 1.00 0.00 O ATOM 660 CB GLN A 40 9.445 2.548 0.471 1.00 0.00 C ATOM 661 CG GLN A 40 10.842 2.657 1.112 1.00 0.00 C ATOM 662 CD GLN A 40 11.924 2.833 0.046 1.00 0.00 C ATOM 663 OE1 GLN A 40 12.076 1.987 -0.835 1.00 0.00 O ATOM 664 NE2 GLN A 40 12.685 3.892 0.073 1.00 0.00 N ATOM 0 H GLN A 40 9.134 4.948 1.411 1.00 0.00 H new ATOM 0 HA GLN A 40 9.735 3.850 -1.256 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.693 2.415 1.249 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.402 1.666 -0.168 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.865 3.502 1.801 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.047 1.762 1.699 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.558 4.593 0.803 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.407 4.020 -0.636 1.00 0.00 H new ATOM 673 N SER A 41 6.869 4.816 -0.542 1.00 0.00 N ATOM 674 CA SER A 41 5.432 4.843 -0.897 1.00 0.00 C ATOM 675 C SER A 41 5.154 4.227 -2.275 1.00 0.00 C ATOM 676 O SER A 41 4.243 3.402 -2.420 1.00 0.00 O ATOM 677 CB SER A 41 4.909 6.284 -0.880 1.00 0.00 C ATOM 678 OG SER A 41 4.996 6.805 0.437 1.00 0.00 O ATOM 0 H SER A 41 7.207 5.668 -0.095 1.00 0.00 H new ATOM 0 HA SER A 41 4.914 4.242 -0.150 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.490 6.901 -1.565 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.875 6.311 -1.225 1.00 0.00 H new ATOM 0 HG SER A 41 5.870 7.229 0.564 1.00 0.00 H new ATOM 684 N ALA A 42 5.940 4.625 -3.274 1.00 0.00 N ATOM 685 CA ALA A 42 5.770 4.104 -4.631 1.00 0.00 C ATOM 686 C ALA A 42 6.091 2.608 -4.691 1.00 0.00 C ATOM 687 O ALA A 42 5.362 1.832 -5.320 1.00 0.00 O ATOM 688 CB ALA A 42 6.684 4.864 -5.599 1.00 0.00 C ATOM 0 H ALA A 42 6.696 5.302 -3.172 1.00 0.00 H new ATOM 0 HA ALA A 42 4.729 4.245 -4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.553 4.471 -6.607 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.427 5.923 -5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.723 4.738 -5.293 1.00 0.00 H new ATOM 694 N ASN A 43 7.188 2.213 -4.038 1.00 0.00 N ATOM 695 CA ASN A 43 7.610 0.810 -4.027 1.00 0.00 C ATOM 696 C ASN A 43 6.600 -0.067 -3.293 1.00 0.00 C ATOM 697 O ASN A 43 6.259 -1.147 -3.766 1.00 0.00 O ATOM 698 CB ASN A 43 8.979 0.667 -3.340 1.00 0.00 C ATOM 699 CG ASN A 43 10.069 1.428 -4.096 1.00 0.00 C ATOM 700 OD1 ASN A 43 9.880 1.843 -5.242 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.216 1.627 -3.514 1.00 0.00 N ATOM 0 H ASN A 43 7.797 2.841 -3.513 1.00 0.00 H new ATOM 0 HA ASN A 43 7.678 0.483 -5.065 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.915 1.041 -2.318 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.247 -0.388 -3.277 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.958 2.126 -4.006 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.373 1.284 -2.566 1.00 0.00 H new ATOM 708 N LEU A 44 6.140 0.402 -2.132 1.00 0.00 N ATOM 709 CA LEU A 44 5.183 -0.352 -1.320 1.00 0.00 C ATOM 710 C LEU A 44 3.900 -0.634 -2.100 1.00 0.00 C ATOM 711 O LEU A 44 3.374 -1.747 -2.045 1.00 0.00 O ATOM 712 CB LEU A 44 4.846 0.438 -0.059 1.00 0.00 C ATOM 713 CG LEU A 44 6.110 0.665 0.808 1.00 0.00 C ATOM 714 CD1 LEU A 44 5.796 1.659 1.933 1.00 0.00 C ATOM 715 CD2 LEU A 44 6.582 -0.659 1.425 1.00 0.00 C ATOM 0 H LEU A 44 6.414 1.300 -1.733 1.00 0.00 H new ATOM 0 HA LEU A 44 5.640 -1.305 -1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.411 1.399 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.095 -0.098 0.521 1.00 0.00 H new ATOM 0 HG LEU A 44 6.899 1.064 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.688 1.815 2.540 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.480 2.609 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.997 1.260 2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.471 -0.482 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.791 -1.070 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.820 -1.366 0.630 1.00 0.00 H new ATOM 727 N LEU A 45 3.405 0.373 -2.838 1.00 0.00 N ATOM 728 CA LEU A 45 2.186 0.205 -3.646 1.00 0.00 C ATOM 729 C LEU A 45 2.406 -0.892 -4.689 1.00 0.00 C ATOM 730 O LEU A 45 1.584 -1.801 -4.836 1.00 0.00 O ATOM 731 CB LEU A 45 1.834 1.538 -4.332 1.00 0.00 C ATOM 732 CG LEU A 45 0.743 1.344 -5.413 1.00 0.00 C ATOM 733 CD1 LEU A 45 -0.536 0.761 -4.793 1.00 0.00 C ATOM 734 CD2 LEU A 45 0.418 2.696 -6.066 1.00 0.00 C ATOM 0 H LEU A 45 3.824 1.301 -2.892 1.00 0.00 H new ATOM 0 HA LEU A 45 1.357 -0.088 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.487 2.253 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.729 1.962 -4.787 1.00 0.00 H new ATOM 0 HG LEU A 45 1.120 0.649 -6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.291 0.632 -5.569 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.313 -0.205 -4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.913 1.442 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.350 2.557 -6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.056 3.389 -5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.318 3.102 -6.529 1.00 0.00 H new ATOM 746 N ALA A 46 3.539 -0.801 -5.385 1.00 0.00 N ATOM 747 CA ALA A 46 3.895 -1.797 -6.398 1.00 0.00 C ATOM 748 C ALA A 46 4.056 -3.168 -5.738 1.00 0.00 C ATOM 749 O ALA A 46 3.578 -4.183 -6.252 1.00 0.00 O ATOM 750 CB ALA A 46 5.204 -1.398 -7.089 1.00 0.00 C ATOM 0 H ALA A 46 4.223 -0.053 -5.268 1.00 0.00 H new ATOM 0 HA ALA A 46 3.101 -1.846 -7.143 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.461 -2.144 -7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.081 -0.427 -7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.002 -1.338 -6.349 1.00 0.00 H new ATOM 756 N GLU A 47 4.721 -3.169 -4.581 1.00 0.00 N ATOM 757 CA GLU A 47 4.946 -4.390 -3.815 1.00 0.00 C ATOM 758 C GLU A 47 3.622 -5.010 -3.379 1.00 0.00 C ATOM 759 O GLU A 47 3.482 -6.234 -3.362 1.00 0.00 O ATOM 760 CB GLU A 47 5.787 -4.067 -2.577 1.00 0.00 C ATOM 761 CG GLU A 47 7.269 -3.897 -2.967 1.00 0.00 C ATOM 762 CD GLU A 47 7.871 -5.238 -3.412 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.875 -6.163 -2.613 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.330 -5.319 -4.541 1.00 0.00 O ATOM 0 H GLU A 47 5.114 -2.330 -4.154 1.00 0.00 H new ATOM 0 HA GLU A 47 5.472 -5.104 -4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.420 -3.154 -2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.686 -4.866 -1.842 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.357 -3.168 -3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.830 -3.504 -2.119 1.00 0.00 H new ATOM 771 N ALA A 48 2.656 -4.160 -3.026 1.00 0.00 N ATOM 772 CA ALA A 48 1.346 -4.641 -2.600 1.00 0.00 C ATOM 773 C ALA A 48 0.659 -5.336 -3.768 1.00 0.00 C ATOM 774 O ALA A 48 0.073 -6.410 -3.611 1.00 0.00 O ATOM 775 CB ALA A 48 0.487 -3.470 -2.108 1.00 0.00 C ATOM 0 H ALA A 48 2.757 -3.145 -3.027 1.00 0.00 H new ATOM 0 HA ALA A 48 1.472 -5.348 -1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.488 -3.841 -1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.980 -2.986 -1.265 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.357 -2.750 -2.916 1.00 0.00 H new ATOM 781 N LYS A 49 0.757 -4.717 -4.946 1.00 0.00 N ATOM 782 CA LYS A 49 0.163 -5.279 -6.154 1.00 0.00 C ATOM 783 C LYS A 49 0.825 -6.620 -6.477 1.00 0.00 C ATOM 784 O LYS A 49 0.166 -7.551 -6.948 1.00 0.00 O ATOM 785 CB LYS A 49 0.345 -4.311 -7.331 1.00 0.00 C ATOM 786 CG LYS A 49 -0.851 -4.420 -8.288 1.00 0.00 C ATOM 787 CD LYS A 49 -0.489 -3.795 -9.642 1.00 0.00 C ATOM 788 CE LYS A 49 -1.744 -3.210 -10.298 1.00 0.00 C ATOM 789 NZ LYS A 49 -1.427 -2.798 -11.696 1.00 0.00 N ATOM 0 H LYS A 49 1.241 -3.830 -5.086 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.903 -5.434 -5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.435 -3.289 -6.962 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.269 -4.540 -7.862 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.128 -5.466 -8.422 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.717 -3.913 -7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.258 -3.013 -9.504 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.045 -4.548 -10.293 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.546 -3.949 -10.298 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.100 -2.353 -9.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.278 -2.401 -12.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.675 -2.080 -11.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.106 -3.626 -12.238 1.00 0.00 H new ATOM 803 N LYS A 50 2.139 -6.700 -6.213 1.00 0.00 N ATOM 804 CA LYS A 50 2.909 -7.918 -6.463 1.00 0.00 C ATOM 805 C LYS A 50 2.328 -9.085 -5.663 1.00 0.00 C ATOM 806 O LYS A 50 2.162 -10.187 -6.193 1.00 0.00 O ATOM 807 CB LYS A 50 4.370 -7.682 -6.061 1.00 0.00 C ATOM 808 CG LYS A 50 5.247 -8.850 -6.539 1.00 0.00 C ATOM 809 CD LYS A 50 6.728 -8.514 -6.303 1.00 0.00 C ATOM 810 CE LYS A 50 7.081 -8.672 -4.818 1.00 0.00 C ATOM 811 NZ LYS A 50 8.485 -8.219 -4.593 1.00 0.00 N ATOM 0 H LYS A 50 2.687 -5.931 -5.826 1.00 0.00 H new ATOM 0 HA LYS A 50 2.858 -8.166 -7.523 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.728 -6.748 -6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.445 -7.581 -4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.981 -9.761 -6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.071 -9.040 -7.598 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.357 -9.170 -6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.932 -7.493 -6.625 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.395 -8.087 -4.205 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.970 -9.713 -4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.744 -8.372 -3.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.127 -8.761 -5.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.564 -7.207 -4.819 1.00 0.00 H new ATOM 825 N LEU A 51 2.005 -8.818 -4.393 1.00 0.00 N ATOM 826 CA LEU A 51 1.417 -9.837 -3.521 1.00 0.00 C ATOM 827 C LEU A 51 0.073 -10.292 -4.084 1.00 0.00 C ATOM 828 O LEU A 51 -0.221 -11.489 -4.117 1.00 0.00 O ATOM 829 CB LEU A 51 1.237 -9.265 -2.104 1.00 0.00 C ATOM 830 CG LEU A 51 2.607 -9.133 -1.415 1.00 0.00 C ATOM 831 CD1 LEU A 51 2.452 -8.340 -0.113 1.00 0.00 C ATOM 832 CD2 LEU A 51 3.175 -10.528 -1.100 1.00 0.00 C ATOM 0 H LEU A 51 2.140 -7.910 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 51 2.084 -10.698 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.750 -8.291 -2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.587 -9.916 -1.519 1.00 0.00 H new ATOM 0 HG LEU A 51 3.292 -8.610 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.423 -8.247 0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.061 -7.347 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.762 -8.861 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.144 -10.425 -0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.491 -11.058 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.293 -11.091 -2.026 1.00 0.00 H new ATOM 844 N ASN A 52 -0.726 -9.324 -4.543 1.00 0.00 N ATOM 845 CA ASN A 52 -2.036 -9.619 -5.130 1.00 0.00 C ATOM 846 C ASN A 52 -1.874 -10.504 -6.369 1.00 0.00 C ATOM 847 O ASN A 52 -2.574 -11.509 -6.516 1.00 0.00 O ATOM 848 CB ASN A 52 -2.743 -8.292 -5.487 1.00 0.00 C ATOM 849 CG ASN A 52 -3.705 -8.449 -6.674 1.00 0.00 C ATOM 850 OD1 ASN A 52 -3.290 -8.342 -7.828 1.00 0.00 O ATOM 851 ND2 ASN A 52 -4.965 -8.691 -6.458 1.00 0.00 N ATOM 0 H ASN A 52 -0.489 -8.332 -4.519 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.647 -10.162 -4.409 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.295 -7.931 -4.619 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.995 -7.536 -5.725 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.607 -8.792 -7.244 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.311 -8.780 -5.503 1.00 0.00 H new ATOM 858 N ASP A 53 -0.950 -10.112 -7.249 1.00 0.00 N ATOM 859 CA ASP A 53 -0.697 -10.861 -8.480 1.00 0.00 C ATOM 860 C ASP A 53 -0.221 -12.279 -8.176 1.00 0.00 C ATOM 861 O ASP A 53 -0.584 -13.225 -8.882 1.00 0.00 O ATOM 862 CB ASP A 53 0.362 -10.134 -9.319 1.00 0.00 C ATOM 863 CG ASP A 53 0.523 -10.810 -10.684 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.258 -10.505 -11.571 1.00 0.00 O ATOM 865 OD2 ASP A 53 1.424 -11.624 -10.821 1.00 0.00 O ATOM 0 H ASP A 53 -0.367 -9.283 -7.132 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.632 -10.925 -9.037 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.074 -9.092 -9.455 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.316 -10.135 -8.791 1.00 0.00 H new ATOM 870 N ALA A 54 0.614 -12.411 -7.144 1.00 0.00 N ATOM 871 CA ALA A 54 1.163 -13.712 -6.777 1.00 0.00 C ATOM 872 C ALA A 54 0.118 -14.612 -6.101 1.00 0.00 C ATOM 873 O ALA A 54 -0.060 -15.766 -6.497 1.00 0.00 O ATOM 874 CB ALA A 54 2.361 -13.521 -5.841 1.00 0.00 C ATOM 0 H ALA A 54 0.921 -11.638 -6.553 1.00 0.00 H new ATOM 0 HA ALA A 54 1.479 -14.207 -7.696 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.769 -14.494 -5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.128 -12.935 -6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.039 -12.998 -4.941 1.00 0.00 H new ATOM 880 N GLN A 55 -0.552 -14.079 -5.072 1.00 0.00 N ATOM 881 CA GLN A 55 -1.565 -14.844 -4.328 1.00 0.00 C ATOM 882 C GLN A 55 -2.782 -15.177 -5.198 1.00 0.00 C ATOM 883 O GLN A 55 -3.470 -16.169 -4.944 1.00 0.00 O ATOM 884 CB GLN A 55 -2.009 -14.066 -3.076 1.00 0.00 C ATOM 885 CG GLN A 55 -0.835 -13.935 -2.097 1.00 0.00 C ATOM 886 CD GLN A 55 -1.109 -12.792 -1.125 1.00 0.00 C ATOM 887 OE1 GLN A 55 -1.075 -12.978 0.091 1.00 0.00 O ATOM 888 NE2 GLN A 55 -1.382 -11.611 -1.603 1.00 0.00 N ATOM 0 H GLN A 55 -0.413 -13.126 -4.735 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.106 -15.785 -4.025 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.368 -13.077 -3.361 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.840 -14.580 -2.594 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.698 -14.867 -1.549 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.089 -13.748 -2.644 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.409 -11.463 -2.612 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.569 -10.835 -0.968 1.00 0.00 H new ATOM 897 N ALA A 56 -3.052 -14.337 -6.209 1.00 0.00 N ATOM 898 CA ALA A 56 -4.203 -14.542 -7.104 1.00 0.00 C ATOM 899 C ALA A 56 -4.189 -15.949 -7.733 1.00 0.00 C ATOM 900 O ALA A 56 -3.119 -16.493 -8.015 1.00 0.00 O ATOM 901 CB ALA A 56 -4.186 -13.490 -8.220 1.00 0.00 C ATOM 0 H ALA A 56 -2.492 -13.513 -6.427 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.110 -14.443 -6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.040 -13.646 -8.880 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.243 -12.494 -7.782 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.263 -13.582 -8.793 1.00 0.00 H new ATOM 907 N PRO A 57 -5.355 -16.539 -7.955 1.00 0.00 N ATOM 908 CA PRO A 57 -5.473 -17.905 -8.561 1.00 0.00 C ATOM 909 C PRO A 57 -5.193 -17.902 -10.067 1.00 0.00 C ATOM 910 O PRO A 57 -5.388 -16.888 -10.742 1.00 0.00 O ATOM 911 CB PRO A 57 -6.925 -18.304 -8.272 1.00 0.00 C ATOM 912 CG PRO A 57 -7.673 -17.016 -8.190 1.00 0.00 C ATOM 913 CD PRO A 57 -6.689 -15.970 -7.659 1.00 0.00 C ATOM 0 HA PRO A 57 -4.743 -18.600 -8.145 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.323 -18.942 -9.061 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.002 -18.865 -7.340 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.054 -16.727 -9.169 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.534 -17.110 -7.528 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.829 -15.007 -8.150 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.823 -15.805 -6.590 1.00 0.00 H new ATOM 921 N LYS A 58 -4.739 -19.050 -10.576 1.00 0.00 N ATOM 922 CA LYS A 58 -4.430 -19.197 -12.003 1.00 0.00 C ATOM 923 C LYS A 58 -5.716 -19.405 -12.812 1.00 0.00 C ATOM 924 O LYS A 58 -6.463 -20.314 -12.481 1.00 0.00 O ATOM 925 CB LYS A 58 -3.486 -20.395 -12.221 1.00 0.00 C ATOM 926 CG LYS A 58 -2.208 -20.242 -11.373 1.00 0.00 C ATOM 927 CD LYS A 58 -1.387 -19.034 -11.858 1.00 0.00 C ATOM 928 CE LYS A 58 -0.056 -18.964 -11.097 1.00 0.00 C ATOM 929 NZ LYS A 58 0.767 -20.170 -11.406 1.00 0.00 N ATOM 930 OXT LYS A 58 -5.935 -18.653 -13.749 1.00 0.00 O ATOM 0 H LYS A 58 -4.577 -19.891 -10.023 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.940 -18.285 -12.343 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.997 -21.320 -11.954 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.222 -20.469 -13.276 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.473 -20.113 -10.324 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.608 -21.149 -11.441 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.199 -19.118 -12.928 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.952 -18.115 -11.704 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.486 -18.061 -11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.242 -18.905 -10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.736 -19.877 -11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.790 -20.797 -10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.350 -20.678 -12.212 1.00 0.00 H new