USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 35 GLN : amide:sc= -0.368 K(o=-1.7,f=-3.8!) USER MOD Set 1.2: A 37 TYR OH : rot 34:sc= -1.29 USER MOD Single : A 10 LYS NZ :NH3+ -153:sc= -0.364 (180deg=-1.22!) USER MOD Single : A 11 MET CE :methyl -132:sc= -0.017 (180deg=-0.209) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -161:sc= -0.0257 (180deg=-0.308) USER MOD Single : A 17 GLN : amide:sc= -0.0798 X(o=-0.08,f=0) USER MOD Single : A 23 ASN : amide:sc= -1.13 K(o=-1.1,f=-1.7) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 26 GLN : amide:sc= -1.46 K(o=-1.5,f=-4.5!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.611 K(o=-0.61,f=-2.3) USER MOD Single : A 50 CYS SG : rot 13:sc= 1.03 USER MOD Single : A 51 MET CE :methyl -173:sc= -1.93 (180deg=-2.03) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 91:sc= -1.52! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 140:sc= -0.0249 USER MOD Single : A 90 TYR OH : rot -112:sc= 0.0361 USER MOD Single : A 93 MET CE :methyl -122:sc= -4.5! (180deg=-7.76!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 100 MET CE :methyl -150:sc= -0.25 (180deg=-1.09) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ILE A 9 -6.653 8.556 9.110 1.00 0.00 N ATOM 81 CA ILE A 9 -7.978 7.960 9.079 1.00 0.00 C ATOM 82 C ILE A 9 -7.859 6.451 9.303 1.00 0.00 C ATOM 83 O ILE A 9 -8.443 5.911 10.241 1.00 0.00 O ATOM 84 CB ILE A 9 -8.703 8.334 7.785 1.00 0.00 C ATOM 85 CG1 ILE A 9 -9.034 9.827 7.753 1.00 0.00 C ATOM 86 CG2 ILE A 9 -9.947 7.467 7.583 1.00 0.00 C ATOM 87 CD1 ILE A 9 -8.375 10.510 6.553 1.00 0.00 C ATOM 0 HA ILE A 9 -8.593 8.355 9.888 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.033 8.135 6.949 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.114 9.962 7.705 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.695 10.298 8.675 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.444 7.754 6.656 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.655 6.418 7.529 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.630 7.610 8.420 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.627 11.571 6.554 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.293 10.394 6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.735 10.053 5.631 1.00 0.00 H new ATOM 99 N LYS A 10 -7.099 5.812 8.426 1.00 0.00 N ATOM 100 CA LYS A 10 -6.896 4.377 8.516 1.00 0.00 C ATOM 101 C LYS A 10 -5.396 4.080 8.575 1.00 0.00 C ATOM 102 O LYS A 10 -4.611 4.688 7.849 1.00 0.00 O ATOM 103 CB LYS A 10 -7.620 3.660 7.374 1.00 0.00 C ATOM 104 CG LYS A 10 -7.979 2.226 7.767 1.00 0.00 C ATOM 105 CD LYS A 10 -6.949 1.234 7.224 1.00 0.00 C ATOM 106 CE LYS A 10 -7.080 -0.126 7.914 1.00 0.00 C ATOM 107 NZ LYS A 10 -7.117 0.040 9.384 1.00 0.00 N ATOM 0 H LYS A 10 -6.616 6.263 7.649 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.335 3.988 9.435 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.526 4.207 7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.987 3.650 6.487 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.030 2.145 8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.968 1.976 7.382 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.085 1.115 6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.944 1.628 7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.987 -0.626 7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.241 -0.764 7.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.754 -0.821 9.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.526 0.851 9.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.097 0.207 9.690 1.00 0.00 H new ATOM 121 N MET A 11 -5.043 3.147 9.446 1.00 0.00 N ATOM 122 CA MET A 11 -3.651 2.763 9.609 1.00 0.00 C ATOM 123 C MET A 11 -3.527 1.268 9.911 1.00 0.00 C ATOM 124 O MET A 11 -4.313 0.719 10.682 1.00 0.00 O ATOM 125 CB MET A 11 -3.030 3.568 10.752 1.00 0.00 C ATOM 126 CG MET A 11 -3.249 5.069 10.548 1.00 0.00 C ATOM 127 SD MET A 11 -4.823 5.555 11.235 1.00 0.00 S ATOM 128 CE MET A 11 -4.403 5.604 12.969 1.00 0.00 C ATOM 0 H MET A 11 -5.697 2.645 10.047 1.00 0.00 H new ATOM 0 HA MET A 11 -3.124 2.972 8.678 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.469 3.258 11.700 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.962 3.357 10.812 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.446 5.630 11.025 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.217 5.308 9.485 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.159 5.066 13.542 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.431 5.136 13.121 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.363 6.640 13.305 1.00 0.00 H new ATOM 138 N GLY A 12 -2.533 0.652 9.288 1.00 0.00 N ATOM 139 CA GLY A 12 -2.296 -0.769 9.480 1.00 0.00 C ATOM 140 C GLY A 12 -1.026 -1.216 8.752 1.00 0.00 C ATOM 141 O GLY A 12 -0.436 -0.446 7.996 1.00 0.00 O ATOM 0 H GLY A 12 -1.883 1.111 8.650 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.205 -0.986 10.544 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.150 -1.337 9.111 1.00 0.00 H new ATOM 145 N TRP A 13 -0.644 -2.459 9.006 1.00 0.00 N ATOM 146 CA TRP A 13 0.545 -3.017 8.385 1.00 0.00 C ATOM 147 C TRP A 13 0.108 -3.788 7.137 1.00 0.00 C ATOM 148 O TRP A 13 -0.790 -4.625 7.203 1.00 0.00 O ATOM 149 CB TRP A 13 1.328 -3.880 9.376 1.00 0.00 C ATOM 150 CG TRP A 13 2.230 -3.081 10.319 1.00 0.00 C ATOM 151 CD1 TRP A 13 1.873 -2.137 11.200 1.00 0.00 C ATOM 152 CD2 TRP A 13 3.664 -3.195 10.439 1.00 0.00 C ATOM 153 NE1 TRP A 13 2.966 -1.636 11.877 1.00 0.00 N ATOM 154 CE2 TRP A 13 4.090 -2.300 11.399 1.00 0.00 C ATOM 155 CE3 TRP A 13 4.571 -4.026 9.759 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.433 -2.151 11.766 1.00 0.00 C ATOM 157 CZ3 TRP A 13 5.909 -3.865 10.137 1.00 0.00 C ATOM 158 CH2 TRP A 13 6.354 -2.969 11.102 1.00 0.00 C ATOM 0 H TRP A 13 -1.137 -3.095 9.633 1.00 0.00 H new ATOM 0 HA TRP A 13 1.231 -2.225 8.084 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.624 -4.463 9.970 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.940 -4.590 8.820 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.857 -1.809 11.360 1.00 0.00 H new ATOM 0 HE1 TRP A 13 2.952 -0.912 12.595 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.260 -4.733 9.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.741 -1.443 12.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.647 -4.480 9.644 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.406 -2.904 11.338 1.00 0.00 H new ATOM 169 N LEU A 14 0.765 -3.478 6.029 1.00 0.00 N ATOM 170 CA LEU A 14 0.456 -4.131 4.768 1.00 0.00 C ATOM 171 C LEU A 14 1.745 -4.679 4.153 1.00 0.00 C ATOM 172 O LEU A 14 2.841 -4.349 4.604 1.00 0.00 O ATOM 173 CB LEU A 14 -0.310 -3.180 3.846 1.00 0.00 C ATOM 174 CG LEU A 14 -1.803 -3.018 4.139 1.00 0.00 C ATOM 175 CD1 LEU A 14 -2.338 -1.709 3.555 1.00 0.00 C ATOM 176 CD2 LEU A 14 -2.593 -4.232 3.645 1.00 0.00 C ATOM 0 H LEU A 14 1.510 -2.783 5.978 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.206 -4.981 4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.159 -2.198 3.900 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.197 -3.531 2.820 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.935 -2.965 5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.401 -1.619 3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.802 -0.868 3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.192 -1.706 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.651 -4.092 3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.458 -4.341 2.569 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.233 -5.129 4.148 1.00 0.00 H new ATOM 188 N LYS A 15 1.571 -5.506 3.133 1.00 0.00 N ATOM 189 CA LYS A 15 2.707 -6.103 2.452 1.00 0.00 C ATOM 190 C LYS A 15 2.906 -5.413 1.101 1.00 0.00 C ATOM 191 O LYS A 15 2.160 -5.664 0.155 1.00 0.00 O ATOM 192 CB LYS A 15 2.533 -7.620 2.347 1.00 0.00 C ATOM 193 CG LYS A 15 3.564 -8.350 3.210 1.00 0.00 C ATOM 194 CD LYS A 15 3.758 -9.790 2.732 1.00 0.00 C ATOM 195 CE LYS A 15 3.289 -10.788 3.792 1.00 0.00 C ATOM 196 NZ LYS A 15 4.256 -11.901 3.920 1.00 0.00 N ATOM 0 H LYS A 15 0.660 -5.777 2.762 1.00 0.00 H new ATOM 0 HA LYS A 15 3.620 -5.949 3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.527 -7.897 2.663 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.638 -7.931 1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.515 -7.819 3.173 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.239 -8.349 4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.202 -9.948 1.808 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.810 -9.963 2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.178 -10.283 4.752 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.308 -11.180 3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.922 -12.569 4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.342 -12.393 3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.184 -11.524 4.199 1.00 0.00 H new ATOM 210 N LYS A 16 3.916 -4.556 1.053 1.00 0.00 N ATOM 211 CA LYS A 16 4.223 -3.828 -0.166 1.00 0.00 C ATOM 212 C LYS A 16 5.293 -4.587 -0.953 1.00 0.00 C ATOM 213 O LYS A 16 6.338 -4.938 -0.406 1.00 0.00 O ATOM 214 CB LYS A 16 4.605 -2.382 0.155 1.00 0.00 C ATOM 215 CG LYS A 16 5.246 -1.702 -1.056 1.00 0.00 C ATOM 216 CD LYS A 16 5.685 -0.276 -0.716 1.00 0.00 C ATOM 217 CE LYS A 16 6.597 0.291 -1.806 1.00 0.00 C ATOM 218 NZ LYS A 16 7.912 -0.388 -1.786 1.00 0.00 N ATOM 0 H LYS A 16 4.532 -4.350 1.839 1.00 0.00 H new ATOM 0 HA LYS A 16 3.342 -3.766 -0.804 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.718 -1.827 0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.298 -2.363 0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.107 -2.281 -1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.536 -1.680 -1.883 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.808 0.361 -0.603 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.208 -0.271 0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.130 0.163 -2.782 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.732 1.362 -1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.612 0.197 -2.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.216 -0.527 -0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.833 -1.312 -2.257 1.00 0.00 H new ATOM 232 N GLN A 17 4.997 -4.817 -2.223 1.00 0.00 N ATOM 233 CA GLN A 17 5.922 -5.527 -3.091 1.00 0.00 C ATOM 234 C GLN A 17 7.328 -4.937 -2.965 1.00 0.00 C ATOM 235 O GLN A 17 7.486 -3.724 -2.836 1.00 0.00 O ATOM 236 CB GLN A 17 5.443 -5.498 -4.543 1.00 0.00 C ATOM 237 CG GLN A 17 6.242 -6.479 -5.404 1.00 0.00 C ATOM 238 CD GLN A 17 5.530 -6.751 -6.731 1.00 0.00 C ATOM 239 OE1 GLN A 17 5.761 -6.096 -7.734 1.00 0.00 O ATOM 240 NE2 GLN A 17 4.654 -7.750 -6.680 1.00 0.00 N ATOM 0 H GLN A 17 4.129 -4.524 -2.673 1.00 0.00 H new ATOM 0 HA GLN A 17 5.958 -6.570 -2.776 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.384 -5.751 -4.585 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.546 -4.490 -4.944 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.235 -6.073 -5.597 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.379 -7.415 -4.863 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.509 -8.257 -5.807 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.127 -8.009 -7.514 1.00 0.00 H new ATOM 341 N ASN A 23 9.523 -10.018 -3.956 1.00 0.00 N ATOM 342 CA ASN A 23 9.143 -10.399 -2.606 1.00 0.00 C ATOM 343 C ASN A 23 8.193 -9.345 -2.032 1.00 0.00 C ATOM 344 O ASN A 23 8.014 -8.280 -2.620 1.00 0.00 O ATOM 345 CB ASN A 23 10.367 -10.481 -1.692 1.00 0.00 C ATOM 346 CG ASN A 23 10.048 -11.266 -0.418 1.00 0.00 C ATOM 347 OD1 ASN A 23 9.412 -12.307 -0.443 1.00 0.00 O ATOM 348 ND2 ASN A 23 10.524 -10.712 0.693 1.00 0.00 N ATOM 0 HA ASN A 23 8.663 -11.376 -2.653 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.190 -10.960 -2.222 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.698 -9.476 -1.431 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.365 -11.160 1.595 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.049 -9.839 0.643 1.00 0.00 H new ATOM 355 N TRP A 24 7.611 -9.679 -0.890 1.00 0.00 N ATOM 356 CA TRP A 24 6.685 -8.776 -0.229 1.00 0.00 C ATOM 357 C TRP A 24 7.337 -8.296 1.069 1.00 0.00 C ATOM 358 O TRP A 24 7.999 -9.070 1.758 1.00 0.00 O ATOM 359 CB TRP A 24 5.329 -9.448 -0.004 1.00 0.00 C ATOM 360 CG TRP A 24 4.633 -9.892 -1.292 1.00 0.00 C ATOM 361 CD1 TRP A 24 4.837 -11.014 -1.996 1.00 0.00 C ATOM 362 CD2 TRP A 24 3.605 -9.173 -2.006 1.00 0.00 C ATOM 363 NE1 TRP A 24 4.020 -11.071 -3.106 1.00 0.00 N ATOM 364 CE2 TRP A 24 3.247 -9.915 -3.112 1.00 0.00 C ATOM 365 CE3 TRP A 24 2.998 -7.936 -1.725 1.00 0.00 C ATOM 366 CZ2 TRP A 24 2.270 -9.505 -4.027 1.00 0.00 C ATOM 367 CZ3 TRP A 24 2.024 -7.540 -2.649 1.00 0.00 C ATOM 368 CH2 TRP A 24 1.652 -8.276 -3.768 1.00 0.00 C ATOM 0 H TRP A 24 7.763 -10.563 -0.405 1.00 0.00 H new ATOM 0 HA TRP A 24 6.479 -7.909 -0.856 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.468 -10.317 0.640 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.677 -8.757 0.530 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.552 -11.778 -1.728 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.989 -11.822 -3.795 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.262 -7.339 -0.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.007 -10.104 -4.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.527 -6.596 -2.481 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.889 -7.901 -4.435 1.00 0.00 H new ATOM 379 N GLN A 25 7.127 -7.021 1.363 1.00 0.00 N ATOM 380 CA GLN A 25 7.686 -6.429 2.566 1.00 0.00 C ATOM 381 C GLN A 25 6.568 -5.911 3.473 1.00 0.00 C ATOM 382 O GLN A 25 5.818 -5.014 3.089 1.00 0.00 O ATOM 383 CB GLN A 25 8.673 -5.311 2.220 1.00 0.00 C ATOM 384 CG GLN A 25 9.823 -5.264 3.228 1.00 0.00 C ATOM 385 CD GLN A 25 10.718 -4.047 2.981 1.00 0.00 C ATOM 386 OE1 GLN A 25 10.285 -3.014 2.496 1.00 0.00 O ATOM 387 NE2 GLN A 25 11.985 -4.226 3.342 1.00 0.00 N ATOM 0 H GLN A 25 6.577 -6.382 0.789 1.00 0.00 H new ATOM 0 HA GLN A 25 8.236 -7.201 3.105 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.070 -5.469 1.217 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.154 -4.353 2.210 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.422 -5.226 4.241 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.415 -6.176 3.153 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.280 -5.117 3.742 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.662 -3.473 3.219 1.00 0.00 H new ATOM 396 N GLN A 26 6.490 -6.498 4.658 1.00 0.00 N ATOM 397 CA GLN A 26 5.475 -6.107 5.622 1.00 0.00 C ATOM 398 C GLN A 26 5.855 -4.781 6.283 1.00 0.00 C ATOM 399 O GLN A 26 6.661 -4.754 7.211 1.00 0.00 O ATOM 400 CB GLN A 26 5.264 -7.202 6.669 1.00 0.00 C ATOM 401 CG GLN A 26 3.911 -7.040 7.366 1.00 0.00 C ATOM 402 CD GLN A 26 3.185 -8.383 7.471 1.00 0.00 C ATOM 403 OE1 GLN A 26 3.415 -9.304 6.704 1.00 0.00 O ATOM 404 NE2 GLN A 26 2.298 -8.442 8.460 1.00 0.00 N ATOM 0 H GLN A 26 7.113 -7.242 4.973 1.00 0.00 H new ATOM 0 HA GLN A 26 4.532 -5.969 5.093 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.317 -8.181 6.193 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.065 -7.163 7.408 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.059 -6.623 8.362 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.295 -6.332 6.812 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.155 -7.634 9.066 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.761 -9.295 8.613 1.00 0.00 H new ATOM 413 N ARG A 27 5.255 -3.712 5.779 1.00 0.00 N ATOM 414 CA ARG A 27 5.519 -2.386 6.310 1.00 0.00 C ATOM 415 C ARG A 27 4.263 -1.819 6.973 1.00 0.00 C ATOM 416 O ARG A 27 3.203 -2.442 6.938 1.00 0.00 O ATOM 417 CB ARG A 27 5.979 -1.432 5.205 1.00 0.00 C ATOM 418 CG ARG A 27 7.162 -2.018 4.432 1.00 0.00 C ATOM 419 CD ARG A 27 8.480 -1.752 5.161 1.00 0.00 C ATOM 420 NE ARG A 27 8.969 -2.997 5.793 1.00 0.00 N ATOM 421 CZ ARG A 27 10.033 -3.060 6.606 1.00 0.00 C ATOM 422 NH1 ARG A 27 10.725 -1.948 6.891 1.00 0.00 N ATOM 423 NH2 ARG A 27 10.405 -4.234 7.134 1.00 0.00 N ATOM 0 H ARG A 27 4.587 -3.738 5.009 1.00 0.00 H new ATOM 0 HA ARG A 27 6.314 -2.478 7.050 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.153 -1.238 4.521 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.264 -0.475 5.641 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.022 -3.092 4.306 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.200 -1.582 3.434 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.224 -1.374 4.459 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.337 -0.982 5.919 1.00 0.00 H new ATOM 0 HE ARG A 27 8.465 -3.862 5.598 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.442 -1.054 6.489 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.535 -1.996 7.510 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.879 -5.080 6.917 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.215 -4.281 7.753 1.00 0.00 H new ATOM 437 N TYR A 28 4.422 -0.643 7.563 1.00 0.00 N ATOM 438 CA TYR A 28 3.314 0.015 8.233 1.00 0.00 C ATOM 439 C TYR A 28 2.779 1.178 7.396 1.00 0.00 C ATOM 440 O TYR A 28 3.457 2.190 7.228 1.00 0.00 O ATOM 441 CB TYR A 28 3.880 0.564 9.545 1.00 0.00 C ATOM 442 CG TYR A 28 2.850 1.292 10.411 1.00 0.00 C ATOM 443 CD1 TYR A 28 1.504 1.164 10.136 1.00 0.00 C ATOM 444 CD2 TYR A 28 3.267 2.076 11.467 1.00 0.00 C ATOM 445 CE1 TYR A 28 0.534 1.849 10.951 1.00 0.00 C ATOM 446 CE2 TYR A 28 2.298 2.762 12.282 1.00 0.00 C ATOM 447 CZ TYR A 28 0.979 2.614 11.983 1.00 0.00 C ATOM 448 OH TYR A 28 0.064 3.262 12.753 1.00 0.00 O ATOM 0 H TYR A 28 5.303 -0.129 7.591 1.00 0.00 H new ATOM 0 HA TYR A 28 2.493 -0.684 8.392 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.304 -0.260 10.119 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.697 1.248 9.318 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.178 0.550 9.310 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.321 2.175 11.682 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.523 1.757 10.747 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.611 3.379 13.111 1.00 0.00 H new ATOM 0 HH TYR A 28 0.526 3.769 13.453 1.00 0.00 H new ATOM 458 N PHE A 29 1.567 0.995 6.892 1.00 0.00 N ATOM 459 CA PHE A 29 0.934 2.016 6.076 1.00 0.00 C ATOM 460 C PHE A 29 -0.039 2.856 6.907 1.00 0.00 C ATOM 461 O PHE A 29 -0.798 2.318 7.712 1.00 0.00 O ATOM 462 CB PHE A 29 0.153 1.291 4.978 1.00 0.00 C ATOM 463 CG PHE A 29 0.984 0.967 3.735 1.00 0.00 C ATOM 464 CD1 PHE A 29 1.697 -0.190 3.676 1.00 0.00 C ATOM 465 CD2 PHE A 29 1.011 1.836 2.689 1.00 0.00 C ATOM 466 CE1 PHE A 29 2.468 -0.491 2.522 1.00 0.00 C ATOM 467 CE2 PHE A 29 1.782 1.535 1.535 1.00 0.00 C ATOM 468 CZ PHE A 29 2.494 0.378 1.476 1.00 0.00 C ATOM 0 H PHE A 29 1.007 0.154 7.033 1.00 0.00 H new ATOM 0 HA PHE A 29 1.690 2.684 5.664 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.250 0.364 5.385 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.697 1.906 4.684 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.677 -0.880 4.507 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.446 2.755 2.736 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.034 -1.410 2.475 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.803 2.225 0.704 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.080 0.149 0.598 1.00 0.00 H new ATOM 478 N VAL A 30 0.015 4.161 6.683 1.00 0.00 N ATOM 479 CA VAL A 30 -0.852 5.080 7.400 1.00 0.00 C ATOM 480 C VAL A 30 -1.575 5.981 6.397 1.00 0.00 C ATOM 481 O VAL A 30 -0.973 6.448 5.431 1.00 0.00 O ATOM 482 CB VAL A 30 -0.041 5.865 8.433 1.00 0.00 C ATOM 483 CG1 VAL A 30 -0.837 7.060 8.962 1.00 0.00 C ATOM 484 CG2 VAL A 30 0.413 4.959 9.579 1.00 0.00 C ATOM 0 H VAL A 30 0.646 4.604 6.015 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.615 4.532 7.953 1.00 0.00 H new ATOM 0 HB VAL A 30 0.850 6.249 7.937 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.238 7.601 9.695 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.087 7.725 8.136 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.754 6.706 9.433 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.987 5.543 10.299 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.460 4.531 10.072 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.036 4.156 9.184 1.00 0.00 H new ATOM 494 N LEU A 31 -2.855 6.198 6.661 1.00 0.00 N ATOM 495 CA LEU A 31 -3.666 7.035 5.793 1.00 0.00 C ATOM 496 C LEU A 31 -3.982 8.349 6.509 1.00 0.00 C ATOM 497 O LEU A 31 -4.787 8.375 7.439 1.00 0.00 O ATOM 498 CB LEU A 31 -4.909 6.275 5.325 1.00 0.00 C ATOM 499 CG LEU A 31 -5.307 6.478 3.861 1.00 0.00 C ATOM 500 CD1 LEU A 31 -6.031 5.246 3.314 1.00 0.00 C ATOM 501 CD2 LEU A 31 -6.136 7.752 3.691 1.00 0.00 C ATOM 0 H LEU A 31 -3.350 5.809 7.463 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.116 7.290 4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.744 5.211 5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.749 6.570 5.954 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.398 6.604 3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.303 5.416 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.374 4.379 3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.932 5.064 3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.406 7.873 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.042 7.680 4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.552 8.612 4.017 1.00 0.00 H new ATOM 513 N ARG A 32 -3.333 9.408 6.048 1.00 0.00 N ATOM 514 CA ARG A 32 -3.535 10.723 6.633 1.00 0.00 C ATOM 515 C ARG A 32 -3.890 11.739 5.546 1.00 0.00 C ATOM 516 O ARG A 32 -3.209 11.825 4.525 1.00 0.00 O ATOM 517 CB ARG A 32 -2.282 11.195 7.373 1.00 0.00 C ATOM 518 CG ARG A 32 -2.516 12.554 8.036 1.00 0.00 C ATOM 519 CD ARG A 32 -1.483 12.813 9.135 1.00 0.00 C ATOM 520 NE ARG A 32 -1.035 14.223 9.086 1.00 0.00 N ATOM 521 CZ ARG A 32 -0.065 14.675 8.279 1.00 0.00 C ATOM 522 NH1 ARG A 32 0.564 13.831 7.450 1.00 0.00 N ATOM 523 NH2 ARG A 32 0.276 15.971 8.302 1.00 0.00 N ATOM 0 H ARG A 32 -2.667 9.382 5.276 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.357 10.646 7.345 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.004 10.461 8.129 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.448 11.266 6.675 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.460 13.343 7.286 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.520 12.588 8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.916 12.594 10.111 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.630 12.147 9.008 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.493 14.892 9.705 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.305 12.845 7.433 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.302 14.175 6.836 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.203 16.613 8.934 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.014 16.315 7.688 1.00 0.00 H new ATOM 537 N ALA A 33 -4.956 12.484 5.802 1.00 0.00 N ATOM 538 CA ALA A 33 -5.410 13.490 4.857 1.00 0.00 C ATOM 539 C ALA A 33 -5.581 12.850 3.479 1.00 0.00 C ATOM 540 O ALA A 33 -6.031 11.710 3.372 1.00 0.00 O ATOM 541 CB ALA A 33 -4.420 14.657 4.839 1.00 0.00 C ATOM 0 H ALA A 33 -5.518 12.411 6.650 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.379 13.888 5.157 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.760 15.412 4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.357 15.096 5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.436 14.295 4.539 1.00 0.00 H new ATOM 547 N GLN A 34 -5.214 13.611 2.458 1.00 0.00 N ATOM 548 CA GLN A 34 -5.322 13.131 1.091 1.00 0.00 C ATOM 549 C GLN A 34 -3.957 12.660 0.584 1.00 0.00 C ATOM 550 O GLN A 34 -3.499 13.094 -0.471 1.00 0.00 O ATOM 551 CB GLN A 34 -5.903 14.211 0.175 1.00 0.00 C ATOM 552 CG GLN A 34 -7.197 14.784 0.757 1.00 0.00 C ATOM 553 CD GLN A 34 -7.437 16.211 0.258 1.00 0.00 C ATOM 554 OE1 GLN A 34 -8.245 16.460 -0.622 1.00 0.00 O ATOM 555 NE2 GLN A 34 -6.694 17.129 0.868 1.00 0.00 N ATOM 0 H GLN A 34 -4.842 14.556 2.550 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.006 12.282 1.078 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.174 15.011 0.042 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.098 13.790 -0.811 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.038 14.150 0.476 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.144 14.780 1.846 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.037 16.851 1.597 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.781 18.111 0.607 1.00 0.00 H new ATOM 564 N GLN A 35 -3.346 11.778 1.361 1.00 0.00 N ATOM 565 CA GLN A 35 -2.043 11.242 1.005 1.00 0.00 C ATOM 566 C GLN A 35 -1.794 9.921 1.735 1.00 0.00 C ATOM 567 O GLN A 35 -2.086 9.801 2.924 1.00 0.00 O ATOM 568 CB GLN A 35 -0.934 12.253 1.306 1.00 0.00 C ATOM 569 CG GLN A 35 -0.630 13.115 0.079 1.00 0.00 C ATOM 570 CD GLN A 35 0.837 13.548 0.063 1.00 0.00 C ATOM 571 OE1 GLN A 35 1.634 13.162 0.902 1.00 0.00 O ATOM 572 NE2 GLN A 35 1.148 14.370 -0.935 1.00 0.00 N ATOM 0 H GLN A 35 -3.729 11.421 2.236 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.032 11.048 -0.068 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.234 12.891 2.137 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.032 11.727 1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.858 12.556 -0.828 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.273 13.995 0.080 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.432 14.654 -1.604 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.103 14.716 -1.032 1.00 0.00 H new ATOM 581 N LEU A 36 -1.257 8.964 0.994 1.00 0.00 N ATOM 582 CA LEU A 36 -0.965 7.656 1.556 1.00 0.00 C ATOM 583 C LEU A 36 0.524 7.574 1.898 1.00 0.00 C ATOM 584 O LEU A 36 1.375 7.849 1.054 1.00 0.00 O ATOM 585 CB LEU A 36 -1.442 6.549 0.613 1.00 0.00 C ATOM 586 CG LEU A 36 -1.300 5.118 1.134 1.00 0.00 C ATOM 587 CD1 LEU A 36 0.162 4.668 1.112 1.00 0.00 C ATOM 588 CD2 LEU A 36 -1.922 4.976 2.525 1.00 0.00 C ATOM 0 H LEU A 36 -1.016 9.068 0.008 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.515 7.509 2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.491 6.727 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.887 6.631 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.851 4.456 0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.234 3.647 1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.539 4.706 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.756 5.329 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.807 3.949 2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.421 5.651 3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.982 5.226 2.477 1.00 0.00 H new ATOM 600 N TYR A 37 0.793 7.193 3.139 1.00 0.00 N ATOM 601 CA TYR A 37 2.164 7.071 3.603 1.00 0.00 C ATOM 602 C TYR A 37 2.446 5.656 4.113 1.00 0.00 C ATOM 603 O TYR A 37 1.520 4.882 4.350 1.00 0.00 O ATOM 604 CB TYR A 37 2.305 8.057 4.765 1.00 0.00 C ATOM 605 CG TYR A 37 1.771 9.458 4.461 1.00 0.00 C ATOM 606 CD1 TYR A 37 2.597 10.400 3.881 1.00 0.00 C ATOM 607 CD2 TYR A 37 0.464 9.780 4.766 1.00 0.00 C ATOM 608 CE1 TYR A 37 2.094 11.719 3.595 1.00 0.00 C ATOM 609 CE2 TYR A 37 -0.038 11.098 4.479 1.00 0.00 C ATOM 610 CZ TYR A 37 0.802 12.003 3.908 1.00 0.00 C ATOM 611 OH TYR A 37 0.327 13.248 3.638 1.00 0.00 O ATOM 0 H TYR A 37 0.085 6.965 3.837 1.00 0.00 H new ATOM 0 HA TYR A 37 2.864 7.277 2.793 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.778 7.659 5.632 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.357 8.132 5.039 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.620 10.148 3.642 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.182 9.043 5.220 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.729 12.466 3.142 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.059 11.363 4.712 1.00 0.00 H new ATOM 0 HH TYR A 37 0.748 13.589 2.821 1.00 0.00 H new ATOM 621 N TYR A 38 3.729 5.362 4.266 1.00 0.00 N ATOM 622 CA TYR A 38 4.145 4.054 4.743 1.00 0.00 C ATOM 623 C TYR A 38 5.554 4.109 5.336 1.00 0.00 C ATOM 624 O TYR A 38 6.489 4.570 4.682 1.00 0.00 O ATOM 625 CB TYR A 38 4.155 3.141 3.516 1.00 0.00 C ATOM 626 CG TYR A 38 5.517 3.044 2.825 1.00 0.00 C ATOM 627 CD1 TYR A 38 6.540 2.330 3.414 1.00 0.00 C ATOM 628 CD2 TYR A 38 5.721 3.670 1.611 1.00 0.00 C ATOM 629 CE1 TYR A 38 7.822 2.239 2.763 1.00 0.00 C ATOM 630 CE2 TYR A 38 7.002 3.578 0.961 1.00 0.00 C ATOM 631 CZ TYR A 38 7.990 2.867 1.569 1.00 0.00 C ATOM 632 OH TYR A 38 9.200 2.781 0.954 1.00 0.00 O ATOM 0 H TYR A 38 4.494 6.007 4.068 1.00 0.00 H new ATOM 0 HA TYR A 38 3.472 3.698 5.523 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.839 2.142 3.816 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.420 3.505 2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.380 1.839 4.363 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.920 4.228 1.150 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.632 1.684 3.214 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.175 4.063 0.012 1.00 0.00 H new ATOM 0 HH TYR A 38 9.174 3.277 0.109 1.00 0.00 H new ATOM 642 N TYR A 39 5.663 3.632 6.567 1.00 0.00 N ATOM 643 CA TYR A 39 6.943 3.621 7.255 1.00 0.00 C ATOM 644 C TYR A 39 7.421 2.189 7.501 1.00 0.00 C ATOM 645 O TYR A 39 6.690 1.234 7.244 1.00 0.00 O ATOM 646 CB TYR A 39 6.704 4.305 8.602 1.00 0.00 C ATOM 647 CG TYR A 39 5.930 5.621 8.503 1.00 0.00 C ATOM 648 CD1 TYR A 39 4.571 5.606 8.266 1.00 0.00 C ATOM 649 CD2 TYR A 39 6.592 6.824 8.651 1.00 0.00 C ATOM 650 CE1 TYR A 39 3.842 6.845 8.173 1.00 0.00 C ATOM 651 CE2 TYR A 39 5.864 8.062 8.558 1.00 0.00 C ATOM 652 CZ TYR A 39 4.525 8.012 8.324 1.00 0.00 C ATOM 653 OH TYR A 39 3.837 9.182 8.236 1.00 0.00 O ATOM 0 H TYR A 39 4.886 3.250 7.106 1.00 0.00 H new ATOM 0 HA TYR A 39 7.703 4.126 6.659 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.158 3.622 9.253 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.666 4.496 9.077 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.054 4.665 8.150 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.656 6.836 8.837 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.778 6.847 7.988 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.370 9.010 8.671 1.00 0.00 H new ATOM 0 HH TYR A 39 4.452 9.934 8.365 1.00 0.00 H new ATOM 789 N GLN A 48 8.314 7.294 4.238 1.00 0.00 N ATOM 790 CA GLN A 48 9.203 6.788 3.207 1.00 0.00 C ATOM 791 C GLN A 48 8.695 7.194 1.822 1.00 0.00 C ATOM 792 O GLN A 48 9.463 7.678 0.992 1.00 0.00 O ATOM 793 CB GLN A 48 9.355 5.269 3.311 1.00 0.00 C ATOM 794 CG GLN A 48 10.245 4.887 4.496 1.00 0.00 C ATOM 795 CD GLN A 48 11.675 5.391 4.292 1.00 0.00 C ATOM 796 OE1 GLN A 48 12.053 5.848 3.226 1.00 0.00 O ATOM 797 NE2 GLN A 48 12.446 5.282 5.370 1.00 0.00 N ATOM 0 HA GLN A 48 10.188 7.230 3.356 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.374 4.809 3.425 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.785 4.879 2.388 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.835 5.308 5.414 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.251 3.804 4.617 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.066 4.890 6.231 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.418 5.591 5.335 1.00 0.00 H new ATOM 806 N GLY A 49 7.404 6.981 1.614 1.00 0.00 N ATOM 807 CA GLY A 49 6.784 7.319 0.344 1.00 0.00 C ATOM 808 C GLY A 49 5.437 8.011 0.558 1.00 0.00 C ATOM 809 O GLY A 49 4.846 7.909 1.632 1.00 0.00 O ATOM 0 H GLY A 49 6.770 6.578 2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.446 7.972 -0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.642 6.415 -0.248 1.00 0.00 H new ATOM 813 N CYS A 50 4.990 8.700 -0.482 1.00 0.00 N ATOM 814 CA CYS A 50 3.723 9.409 -0.421 1.00 0.00 C ATOM 815 C CYS A 50 3.004 9.224 -1.759 1.00 0.00 C ATOM 816 O CYS A 50 3.580 9.474 -2.817 1.00 0.00 O ATOM 817 CB CYS A 50 3.917 10.887 -0.077 1.00 0.00 C ATOM 818 SG CYS A 50 4.535 11.794 -1.541 1.00 0.00 S ATOM 0 H CYS A 50 5.483 8.782 -1.371 1.00 0.00 H new ATOM 0 HA CYS A 50 3.110 8.995 0.380 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.973 11.318 0.257 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.622 10.987 0.748 1.00 0.00 H new ATOM 0 HG CYS A 50 4.407 11.049 -2.599 1.00 0.00 H new ATOM 824 N MET A 51 1.756 8.788 -1.669 1.00 0.00 N ATOM 825 CA MET A 51 0.953 8.566 -2.859 1.00 0.00 C ATOM 826 C MET A 51 -0.297 9.448 -2.849 1.00 0.00 C ATOM 827 O MET A 51 -1.131 9.339 -1.952 1.00 0.00 O ATOM 828 CB MET A 51 0.539 7.095 -2.930 1.00 0.00 C ATOM 829 CG MET A 51 0.501 6.605 -4.379 1.00 0.00 C ATOM 830 SD MET A 51 2.104 5.981 -4.855 1.00 0.00 S ATOM 831 CE MET A 51 1.626 4.861 -6.160 1.00 0.00 C ATOM 0 H MET A 51 1.281 8.583 -0.790 1.00 0.00 H new ATOM 0 HA MET A 51 1.552 8.826 -3.732 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.239 6.488 -2.356 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.442 6.967 -2.473 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.250 5.822 -4.487 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.208 7.421 -5.040 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.496 4.291 -6.487 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.862 4.177 -5.791 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.228 5.430 -7.000 1.00 0.00 H new ATOM 841 N TYR A 52 -0.388 10.303 -3.858 1.00 0.00 N ATOM 842 CA TYR A 52 -1.522 11.203 -3.976 1.00 0.00 C ATOM 843 C TYR A 52 -2.817 10.425 -4.216 1.00 0.00 C ATOM 844 O TYR A 52 -3.066 9.953 -5.324 1.00 0.00 O ATOM 845 CB TYR A 52 -1.236 12.083 -5.195 1.00 0.00 C ATOM 846 CG TYR A 52 -1.926 13.448 -5.152 1.00 0.00 C ATOM 847 CD1 TYR A 52 -1.975 14.160 -3.971 1.00 0.00 C ATOM 848 CD2 TYR A 52 -2.499 13.968 -6.295 1.00 0.00 C ATOM 849 CE1 TYR A 52 -2.624 15.445 -3.931 1.00 0.00 C ATOM 850 CE2 TYR A 52 -3.148 15.253 -6.255 1.00 0.00 C ATOM 851 CZ TYR A 52 -3.178 15.928 -5.075 1.00 0.00 C ATOM 852 OH TYR A 52 -3.791 17.141 -5.037 1.00 0.00 O ATOM 0 H TYR A 52 0.305 10.391 -4.601 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.649 11.783 -3.062 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.160 12.234 -5.277 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.553 11.555 -6.094 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.527 13.754 -3.077 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.461 13.411 -7.220 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.670 16.012 -3.013 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.601 15.671 -7.142 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.140 17.359 -5.926 1.00 0.00 H new ATOM 862 N LEU A 53 -3.608 10.316 -3.159 1.00 0.00 N ATOM 863 CA LEU A 53 -4.872 9.603 -3.240 1.00 0.00 C ATOM 864 C LEU A 53 -5.746 10.245 -4.318 1.00 0.00 C ATOM 865 O LEU A 53 -6.366 9.546 -5.118 1.00 0.00 O ATOM 866 CB LEU A 53 -5.539 9.537 -1.865 1.00 0.00 C ATOM 867 CG LEU A 53 -4.869 8.623 -0.837 1.00 0.00 C ATOM 868 CD1 LEU A 53 -5.845 8.246 0.280 1.00 0.00 C ATOM 869 CD2 LEU A 53 -4.265 7.389 -1.511 1.00 0.00 C ATOM 0 H LEU A 53 -3.398 10.709 -2.242 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.707 8.568 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.578 10.546 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.569 9.207 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.048 9.172 -0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.344 7.596 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.186 9.149 0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.701 7.724 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.795 6.756 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.052 6.829 -2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.517 7.702 -2.240 1.00 0.00 H new ATOM 881 N PRO A 54 -5.769 11.605 -4.305 1.00 0.00 N ATOM 882 CA PRO A 54 -6.557 12.350 -5.272 1.00 0.00 C ATOM 883 C PRO A 54 -5.889 12.340 -6.648 1.00 0.00 C ATOM 884 O PRO A 54 -5.555 13.394 -7.187 1.00 0.00 O ATOM 885 CB PRO A 54 -6.686 13.745 -4.684 1.00 0.00 C ATOM 886 CG PRO A 54 -5.582 13.863 -3.645 1.00 0.00 C ATOM 887 CD PRO A 54 -5.048 12.466 -3.373 1.00 0.00 C ATOM 0 HA PRO A 54 -7.541 11.911 -5.440 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.578 14.506 -5.457 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.667 13.888 -4.230 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.785 14.513 -4.007 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.966 14.310 -2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.972 12.414 -3.538 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.227 12.168 -2.340 1.00 0.00 H new ATOM 895 N GLY A 55 -5.715 11.138 -7.178 1.00 0.00 N ATOM 896 CA GLY A 55 -5.093 10.977 -8.481 1.00 0.00 C ATOM 897 C GLY A 55 -4.333 9.652 -8.566 1.00 0.00 C ATOM 898 O GLY A 55 -3.206 9.609 -9.056 1.00 0.00 O ATOM 0 H GLY A 55 -5.994 10.266 -6.728 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.856 11.013 -9.259 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.409 11.805 -8.666 1.00 0.00 H new ATOM 902 N CYS A 56 -4.981 8.603 -8.080 1.00 0.00 N ATOM 903 CA CYS A 56 -4.380 7.280 -8.095 1.00 0.00 C ATOM 904 C CYS A 56 -5.407 6.292 -8.652 1.00 0.00 C ATOM 905 O CYS A 56 -6.557 6.656 -8.892 1.00 0.00 O ATOM 906 CB CYS A 56 -3.886 6.867 -6.707 1.00 0.00 C ATOM 907 SG CYS A 56 -2.126 7.327 -6.507 1.00 0.00 S ATOM 0 H CYS A 56 -5.916 8.643 -7.674 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.498 7.286 -8.736 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.487 7.353 -5.938 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.007 5.792 -6.574 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.045 8.520 -5.997 1.00 0.00 H new ATOM 913 N THR A 57 -4.954 5.062 -8.843 1.00 0.00 N ATOM 914 CA THR A 57 -5.819 4.019 -9.368 1.00 0.00 C ATOM 915 C THR A 57 -5.659 2.733 -8.554 1.00 0.00 C ATOM 916 O THR A 57 -4.604 2.101 -8.586 1.00 0.00 O ATOM 917 CB THR A 57 -5.499 3.841 -10.853 1.00 0.00 C ATOM 918 OG1 THR A 57 -6.091 4.979 -11.474 1.00 0.00 O ATOM 919 CG2 THR A 57 -6.236 2.653 -11.473 1.00 0.00 C ATOM 0 H THR A 57 -3.999 4.764 -8.644 1.00 0.00 H new ATOM 0 HA THR A 57 -6.870 4.295 -9.278 1.00 0.00 H new ATOM 0 HB THR A 57 -4.425 3.707 -10.979 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.930 4.945 -12.440 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.973 2.572 -12.528 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.949 1.737 -10.956 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.312 2.802 -11.377 1.00 0.00 H new ATOM 927 N ILE A 58 -6.722 2.384 -7.843 1.00 0.00 N ATOM 928 CA ILE A 58 -6.712 1.186 -7.022 1.00 0.00 C ATOM 929 C ILE A 58 -7.238 0.006 -7.843 1.00 0.00 C ATOM 930 O ILE A 58 -8.418 -0.037 -8.189 1.00 0.00 O ATOM 931 CB ILE A 58 -7.482 1.421 -5.721 1.00 0.00 C ATOM 932 CG1 ILE A 58 -6.837 2.537 -4.897 1.00 0.00 C ATOM 933 CG2 ILE A 58 -7.617 0.124 -4.922 1.00 0.00 C ATOM 934 CD1 ILE A 58 -7.745 3.768 -4.836 1.00 0.00 C ATOM 0 H ILE A 58 -7.595 2.910 -7.819 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.694 0.938 -6.722 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.490 1.749 -5.975 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.636 2.179 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.877 2.810 -5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.168 0.319 -4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.153 -0.615 -5.517 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.626 -0.257 -4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.263 4.547 -4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.925 4.138 -5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.695 3.497 -4.375 1.00 0.00 H new ATOM 946 N LYS A 59 -6.337 -0.921 -8.132 1.00 0.00 N ATOM 947 CA LYS A 59 -6.695 -2.098 -8.906 1.00 0.00 C ATOM 948 C LYS A 59 -6.480 -3.349 -8.052 1.00 0.00 C ATOM 949 O LYS A 59 -5.551 -3.404 -7.248 1.00 0.00 O ATOM 950 CB LYS A 59 -5.933 -2.119 -10.232 1.00 0.00 C ATOM 951 CG LYS A 59 -5.917 -0.733 -10.878 1.00 0.00 C ATOM 952 CD LYS A 59 -6.026 -0.836 -12.401 1.00 0.00 C ATOM 953 CE LYS A 59 -4.850 -1.623 -12.982 1.00 0.00 C ATOM 954 NZ LYS A 59 -5.232 -2.252 -14.266 1.00 0.00 N ATOM 0 H LYS A 59 -5.359 -0.881 -7.844 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.751 -2.072 -9.173 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.911 -2.457 -10.062 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.397 -2.835 -10.911 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.744 -0.138 -10.490 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.997 -0.214 -10.610 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.963 -1.324 -12.670 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.050 0.163 -12.836 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.000 -0.958 -13.135 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.533 -2.389 -12.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.423 -2.782 -14.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.029 -2.901 -14.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.513 -1.515 -14.944 1.00 0.00 H new ATOM 968 N GLU A 60 -7.355 -4.323 -8.256 1.00 0.00 N ATOM 969 CA GLU A 60 -7.272 -5.571 -7.515 1.00 0.00 C ATOM 970 C GLU A 60 -6.492 -6.614 -8.318 1.00 0.00 C ATOM 971 O GLU A 60 -6.959 -7.079 -9.356 1.00 0.00 O ATOM 972 CB GLU A 60 -8.666 -6.087 -7.154 1.00 0.00 C ATOM 973 CG GLU A 60 -9.441 -5.049 -6.338 1.00 0.00 C ATOM 974 CD GLU A 60 -10.949 -5.216 -6.529 1.00 0.00 C ATOM 975 OE1 GLU A 60 -11.509 -6.116 -5.866 1.00 0.00 O ATOM 976 OE2 GLU A 60 -11.509 -4.441 -7.335 1.00 0.00 O ATOM 0 H GLU A 60 -8.125 -4.273 -8.923 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.737 -5.384 -6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.217 -6.324 -8.064 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.579 -7.012 -6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.191 -5.151 -5.282 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.141 -4.046 -6.641 1.00 0.00 H new ATOM 983 N ILE A 61 -5.318 -6.951 -7.806 1.00 0.00 N ATOM 984 CA ILE A 61 -4.469 -7.931 -8.462 1.00 0.00 C ATOM 985 C ILE A 61 -5.015 -9.334 -8.193 1.00 0.00 C ATOM 986 O ILE A 61 -5.156 -9.738 -7.040 1.00 0.00 O ATOM 987 CB ILE A 61 -3.010 -7.746 -8.038 1.00 0.00 C ATOM 988 CG1 ILE A 61 -2.552 -6.304 -8.262 1.00 0.00 C ATOM 989 CG2 ILE A 61 -2.102 -8.753 -8.745 1.00 0.00 C ATOM 990 CD1 ILE A 61 -2.406 -6.001 -9.755 1.00 0.00 C ATOM 0 H ILE A 61 -4.934 -6.563 -6.944 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.483 -7.785 -9.542 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.938 -7.943 -6.968 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.271 -5.617 -7.816 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.599 -6.139 -7.759 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.071 -8.600 -8.426 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.414 -9.766 -8.490 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.173 -8.612 -9.824 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.079 -4.969 -9.887 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.668 -6.674 -10.192 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.366 -6.144 -10.251 1.00 0.00 H new ATOM 1123 N PHE A 71 -6.705 -11.272 -2.018 1.00 0.00 N ATOM 1124 CA PHE A 71 -6.786 -9.935 -1.455 1.00 0.00 C ATOM 1125 C PHE A 71 -5.525 -9.129 -1.775 1.00 0.00 C ATOM 1126 O PHE A 71 -4.750 -8.800 -0.879 1.00 0.00 O ATOM 1127 CB PHE A 71 -6.903 -10.094 0.062 1.00 0.00 C ATOM 1128 CG PHE A 71 -8.030 -11.030 0.504 1.00 0.00 C ATOM 1129 CD1 PHE A 71 -9.214 -11.033 -0.166 1.00 0.00 C ATOM 1130 CD2 PHE A 71 -7.848 -11.859 1.566 1.00 0.00 C ATOM 1131 CE1 PHE A 71 -10.260 -11.901 0.244 1.00 0.00 C ATOM 1132 CE2 PHE A 71 -8.894 -12.728 1.976 1.00 0.00 C ATOM 1133 CZ PHE A 71 -10.078 -12.730 1.306 1.00 0.00 C ATOM 0 HA PHE A 71 -7.641 -9.406 -1.875 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.957 -10.471 0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.063 -9.113 0.509 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.358 -10.375 -1.010 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.908 -11.857 2.098 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -11.200 -11.903 -0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.749 -13.387 2.819 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.874 -13.390 1.618 1.00 0.00 H new ATOM 1143 N VAL A 72 -5.359 -8.834 -3.056 1.00 0.00 N ATOM 1144 CA VAL A 72 -4.206 -8.073 -3.506 1.00 0.00 C ATOM 1145 C VAL A 72 -4.679 -6.895 -4.360 1.00 0.00 C ATOM 1146 O VAL A 72 -5.653 -7.014 -5.102 1.00 0.00 O ATOM 1147 CB VAL A 72 -3.228 -8.991 -4.242 1.00 0.00 C ATOM 1148 CG1 VAL A 72 -2.013 -8.207 -4.744 1.00 0.00 C ATOM 1149 CG2 VAL A 72 -2.798 -10.160 -3.354 1.00 0.00 C ATOM 0 H VAL A 72 -6.004 -9.108 -3.797 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.665 -7.660 -2.655 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.743 -9.403 -5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.333 -8.883 -5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.342 -7.426 -5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.497 -7.754 -3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.103 -10.797 -3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.310 -9.776 -2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.675 -10.741 -3.068 1.00 0.00 H new ATOM 1159 N PHE A 73 -3.968 -5.785 -4.227 1.00 0.00 N ATOM 1160 CA PHE A 73 -4.303 -4.587 -4.977 1.00 0.00 C ATOM 1161 C PHE A 73 -3.100 -3.647 -5.076 1.00 0.00 C ATOM 1162 O PHE A 73 -2.322 -3.527 -4.130 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.425 -3.881 -4.214 1.00 0.00 C ATOM 1164 CG PHE A 73 -4.949 -3.103 -2.986 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.665 -3.763 -1.831 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -4.810 -1.751 -3.048 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.223 -3.041 -0.691 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -4.368 -1.029 -1.908 1.00 0.00 C ATOM 1169 CZ PHE A 73 -4.084 -1.689 -0.754 1.00 0.00 C ATOM 0 H PHE A 73 -3.161 -5.690 -3.611 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.605 -4.855 -5.990 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.935 -3.195 -4.891 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.159 -4.623 -3.899 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.776 -4.836 -1.781 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.036 -1.227 -3.965 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.997 -3.565 0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.257 0.044 -1.958 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.748 -1.140 0.113 1.00 0.00 H new ATOM 1179 N GLU A 74 -2.984 -3.005 -6.229 1.00 0.00 N ATOM 1180 CA GLU A 74 -1.888 -2.080 -6.463 1.00 0.00 C ATOM 1181 C GLU A 74 -2.426 -0.665 -6.681 1.00 0.00 C ATOM 1182 O GLU A 74 -3.530 -0.488 -7.195 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.034 -2.531 -7.650 1.00 0.00 C ATOM 1184 CG GLU A 74 -1.680 -2.125 -8.976 1.00 0.00 C ATOM 1185 CD GLU A 74 -2.713 -3.162 -9.423 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -3.522 -3.566 -8.559 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -2.671 -3.526 -10.617 1.00 0.00 O ATOM 0 H GLU A 74 -3.631 -3.107 -7.011 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.249 -2.073 -5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.040 -2.090 -7.576 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.906 -3.613 -7.620 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.159 -1.152 -8.868 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.911 -2.019 -9.742 1.00 0.00 H new ATOM 1194 N ILE A 75 -1.621 0.309 -6.280 1.00 0.00 N ATOM 1195 CA ILE A 75 -2.003 1.703 -6.425 1.00 0.00 C ATOM 1196 C ILE A 75 -1.111 2.365 -7.477 1.00 0.00 C ATOM 1197 O ILE A 75 0.111 2.390 -7.333 1.00 0.00 O ATOM 1198 CB ILE A 75 -1.981 2.409 -5.068 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -2.725 1.590 -4.011 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -2.529 3.832 -5.181 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -2.213 1.912 -2.606 1.00 0.00 C ATOM 0 H ILE A 75 -0.706 0.160 -5.855 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.030 1.781 -6.782 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.944 2.489 -4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.793 1.799 -4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.597 0.527 -4.214 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.502 4.311 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.919 4.402 -5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.558 3.798 -5.540 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.759 1.316 -1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.150 1.679 -2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.365 2.971 -2.397 1.00 0.00 H new ATOM 1213 N ILE A 76 -1.755 2.884 -8.511 1.00 0.00 N ATOM 1214 CA ILE A 76 -1.035 3.544 -9.587 1.00 0.00 C ATOM 1215 C ILE A 76 -1.230 5.057 -9.472 1.00 0.00 C ATOM 1216 O ILE A 76 -2.359 5.536 -9.376 1.00 0.00 O ATOM 1217 CB ILE A 76 -1.454 2.972 -10.943 1.00 0.00 C ATOM 1218 CG1 ILE A 76 -1.253 1.455 -10.983 1.00 0.00 C ATOM 1219 CG2 ILE A 76 -0.722 3.677 -12.086 1.00 0.00 C ATOM 1220 CD1 ILE A 76 -2.591 0.728 -11.125 1.00 0.00 C ATOM 0 H ILE A 76 -2.768 2.861 -8.627 1.00 0.00 H new ATOM 0 HA ILE A 76 0.035 3.352 -9.503 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.519 3.160 -11.079 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.602 1.193 -11.817 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.752 1.127 -10.072 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.038 3.251 -13.038 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.958 4.741 -12.068 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.353 3.542 -11.968 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.419 -0.348 -11.151 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.230 0.973 -10.277 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.078 1.040 -12.049 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.082 5.787 -9.486 1.00 0.00 N ATOM 1233 CA PRO A 77 -0.116 7.236 -9.384 1.00 0.00 C ATOM 1234 C PRO A 77 -0.574 7.868 -10.700 1.00 0.00 C ATOM 1235 O PRO A 77 -0.430 7.268 -11.764 1.00 0.00 O ATOM 1236 CB PRO A 77 1.298 7.636 -8.994 1.00 0.00 C ATOM 1237 CG PRO A 77 2.178 6.448 -9.344 1.00 0.00 C ATOM 1238 CD PRO A 77 1.272 5.255 -9.598 1.00 0.00 C ATOM 0 HA PRO A 77 -0.834 7.589 -8.644 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.614 8.529 -9.533 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.359 7.868 -7.931 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.779 6.665 -10.227 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.872 6.234 -8.531 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.449 4.827 -10.585 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.447 4.463 -8.870 1.00 0.00 H new ATOM 1411 N SER A 89 4.133 0.471 -9.944 1.00 0.00 N ATOM 1412 CA SER A 89 3.171 1.123 -9.071 1.00 0.00 C ATOM 1413 C SER A 89 3.345 0.622 -7.636 1.00 0.00 C ATOM 1414 O SER A 89 4.368 0.027 -7.301 1.00 0.00 O ATOM 1415 CB SER A 89 1.739 0.878 -9.549 1.00 0.00 C ATOM 1416 OG SER A 89 1.245 -0.391 -9.128 1.00 0.00 O ATOM 0 HA SER A 89 3.355 2.197 -9.099 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.089 1.665 -9.166 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.705 0.938 -10.637 1.00 0.00 H new ATOM 0 HG SER A 89 0.308 -0.303 -8.855 1.00 0.00 H new ATOM 1422 N TYR A 90 2.329 0.882 -6.826 1.00 0.00 N ATOM 1423 CA TYR A 90 2.356 0.465 -5.434 1.00 0.00 C ATOM 1424 C TYR A 90 1.558 -0.825 -5.232 1.00 0.00 C ATOM 1425 O TYR A 90 0.354 -0.782 -4.985 1.00 0.00 O ATOM 1426 CB TYR A 90 1.689 1.592 -4.643 1.00 0.00 C ATOM 1427 CG TYR A 90 2.674 2.499 -3.902 1.00 0.00 C ATOM 1428 CD1 TYR A 90 3.925 2.739 -4.432 1.00 0.00 C ATOM 1429 CD2 TYR A 90 2.310 3.078 -2.703 1.00 0.00 C ATOM 1430 CE1 TYR A 90 4.851 3.592 -3.735 1.00 0.00 C ATOM 1431 CE2 TYR A 90 3.236 3.932 -2.005 1.00 0.00 C ATOM 1432 CZ TYR A 90 4.461 4.147 -2.556 1.00 0.00 C ATOM 1433 OH TYR A 90 5.336 4.953 -1.897 1.00 0.00 O ATOM 0 H TYR A 90 1.482 1.376 -7.107 1.00 0.00 H new ATOM 0 HA TYR A 90 3.379 0.276 -5.110 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.095 2.199 -5.326 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.998 1.156 -3.921 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.209 2.286 -5.370 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.331 2.891 -2.288 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.833 3.787 -4.139 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.964 4.391 -1.066 1.00 0.00 H new ATOM 0 HH TYR A 90 5.626 4.514 -1.070 1.00 0.00 H new ATOM 1443 N VAL A 91 2.262 -1.942 -5.345 1.00 0.00 N ATOM 1444 CA VAL A 91 1.634 -3.241 -5.178 1.00 0.00 C ATOM 1445 C VAL A 91 1.511 -3.555 -3.686 1.00 0.00 C ATOM 1446 O VAL A 91 2.474 -3.992 -3.058 1.00 0.00 O ATOM 1447 CB VAL A 91 2.419 -4.304 -5.950 1.00 0.00 C ATOM 1448 CG1 VAL A 91 1.843 -5.700 -5.701 1.00 0.00 C ATOM 1449 CG2 VAL A 91 2.453 -3.984 -7.445 1.00 0.00 C ATOM 0 H VAL A 91 3.261 -1.974 -5.550 1.00 0.00 H new ATOM 0 HA VAL A 91 0.626 -3.235 -5.593 1.00 0.00 H new ATOM 0 HB VAL A 91 3.445 -4.294 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.419 -6.437 -6.261 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.896 -5.931 -4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.803 -5.728 -6.027 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.017 -4.755 -7.969 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.435 -3.952 -7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.931 -3.017 -7.599 1.00 0.00 H new ATOM 1459 N LEU A 92 0.317 -3.321 -3.162 1.00 0.00 N ATOM 1460 CA LEU A 92 0.055 -3.573 -1.755 1.00 0.00 C ATOM 1461 C LEU A 92 -0.799 -4.835 -1.618 1.00 0.00 C ATOM 1462 O LEU A 92 -1.665 -5.096 -2.451 1.00 0.00 O ATOM 1463 CB LEU A 92 -0.562 -2.338 -1.095 1.00 0.00 C ATOM 1464 CG LEU A 92 0.100 -0.999 -1.425 1.00 0.00 C ATOM 1465 CD1 LEU A 92 -0.467 0.123 -0.554 1.00 0.00 C ATOM 1466 CD2 LEU A 92 1.623 -1.099 -1.313 1.00 0.00 C ATOM 0 H LEU A 92 -0.480 -2.960 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 92 0.987 -3.759 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.612 -2.283 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.536 -2.477 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.131 -0.749 -2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.021 1.064 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.539 0.212 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.287 -0.106 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.070 -0.134 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.895 -1.382 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.990 -1.852 -2.010 1.00 0.00 H new ATOM 1478 N MET A 93 -0.525 -5.584 -0.560 1.00 0.00 N ATOM 1479 CA MET A 93 -1.258 -6.813 -0.304 1.00 0.00 C ATOM 1480 C MET A 93 -1.756 -6.862 1.142 1.00 0.00 C ATOM 1481 O MET A 93 -1.015 -6.540 2.069 1.00 0.00 O ATOM 1482 CB MET A 93 -0.349 -8.014 -0.572 1.00 0.00 C ATOM 1483 CG MET A 93 -1.072 -9.327 -0.262 1.00 0.00 C ATOM 1484 SD MET A 93 0.040 -10.457 0.558 1.00 0.00 S ATOM 1485 CE MET A 93 1.267 -10.668 -0.721 1.00 0.00 C ATOM 0 H MET A 93 0.194 -5.364 0.130 1.00 0.00 H new ATOM 0 HA MET A 93 -2.122 -6.845 -0.968 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.029 -8.008 -1.614 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.551 -7.937 0.038 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.939 -9.134 0.370 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.443 -9.774 -1.184 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.346 -11.724 -0.979 1.00 0.00 H new ATOM 0 HE2 MET A 93 0.974 -10.100 -1.604 1.00 0.00 H new ATOM 0 HE3 MET A 93 2.232 -10.309 -0.363 1.00 0.00 H new ATOM 1495 N ALA A 94 -3.009 -7.268 1.289 1.00 0.00 N ATOM 1496 CA ALA A 94 -3.615 -7.363 2.606 1.00 0.00 C ATOM 1497 C ALA A 94 -3.698 -8.834 3.019 1.00 0.00 C ATOM 1498 O ALA A 94 -3.817 -9.715 2.169 1.00 0.00 O ATOM 1499 CB ALA A 94 -4.986 -6.685 2.587 1.00 0.00 C ATOM 0 H ALA A 94 -3.621 -7.535 0.518 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.006 -6.846 3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.441 -6.756 3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.869 -5.636 2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.626 -7.179 1.856 1.00 0.00 H new ATOM 1505 N SER A 95 -3.632 -9.054 4.324 1.00 0.00 N ATOM 1506 CA SER A 95 -3.698 -10.403 4.860 1.00 0.00 C ATOM 1507 C SER A 95 -5.143 -10.905 4.835 1.00 0.00 C ATOM 1508 O SER A 95 -5.401 -12.045 4.450 1.00 0.00 O ATOM 1509 CB SER A 95 -3.142 -10.457 6.284 1.00 0.00 C ATOM 1510 OG SER A 95 -2.532 -11.713 6.571 1.00 0.00 O ATOM 0 H SER A 95 -3.533 -8.321 5.026 1.00 0.00 H new ATOM 0 HA SER A 95 -3.084 -11.051 4.234 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.411 -9.660 6.418 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.948 -10.274 6.995 1.00 0.00 H new ATOM 0 HG SER A 95 -2.188 -11.707 7.489 1.00 0.00 H new ATOM 1516 N SER A 96 -6.048 -10.031 5.250 1.00 0.00 N ATOM 1517 CA SER A 96 -7.460 -10.372 5.280 1.00 0.00 C ATOM 1518 C SER A 96 -8.239 -9.457 4.334 1.00 0.00 C ATOM 1519 O SER A 96 -7.726 -8.428 3.897 1.00 0.00 O ATOM 1520 CB SER A 96 -8.021 -10.269 6.700 1.00 0.00 C ATOM 1521 OG SER A 96 -7.251 -11.021 7.634 1.00 0.00 O ATOM 0 H SER A 96 -5.831 -9.087 5.568 1.00 0.00 H new ATOM 0 HA SER A 96 -7.570 -11.405 4.949 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.042 -9.223 7.006 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.051 -10.625 6.710 1.00 0.00 H new ATOM 0 HG SER A 96 -7.640 -10.928 8.529 1.00 0.00 H new ATOM 1527 N GLN A 97 -9.466 -9.865 4.045 1.00 0.00 N ATOM 1528 CA GLN A 97 -10.322 -9.094 3.159 1.00 0.00 C ATOM 1529 C GLN A 97 -10.795 -7.816 3.855 1.00 0.00 C ATOM 1530 O GLN A 97 -10.631 -6.719 3.325 1.00 0.00 O ATOM 1531 CB GLN A 97 -11.511 -9.930 2.681 1.00 0.00 C ATOM 1532 CG GLN A 97 -12.397 -9.127 1.727 1.00 0.00 C ATOM 1533 CD GLN A 97 -13.526 -9.995 1.166 1.00 0.00 C ATOM 1534 OE1 GLN A 97 -14.083 -10.846 1.839 1.00 0.00 O ATOM 1535 NE2 GLN A 97 -13.829 -9.734 -0.103 1.00 0.00 N ATOM 0 H GLN A 97 -9.888 -10.719 4.409 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.741 -8.812 2.281 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.151 -10.828 2.179 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.098 -10.258 3.539 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.819 -8.270 2.252 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.794 -8.735 0.908 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.323 -9.007 -0.609 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -14.567 -10.261 -0.570 1.00 0.00 H new ATOM 1544 N ALA A 98 -11.372 -8.002 5.033 1.00 0.00 N ATOM 1545 CA ALA A 98 -11.870 -6.878 5.808 1.00 0.00 C ATOM 1546 C ALA A 98 -10.797 -5.789 5.866 1.00 0.00 C ATOM 1547 O ALA A 98 -11.111 -4.610 6.019 1.00 0.00 O ATOM 1548 CB ALA A 98 -12.286 -7.360 7.199 1.00 0.00 C ATOM 0 H ALA A 98 -11.506 -8.914 5.470 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.753 -6.447 5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.659 -6.517 7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.070 -8.111 7.104 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.425 -7.796 7.705 1.00 0.00 H new ATOM 1554 N GLU A 99 -9.551 -6.223 5.740 1.00 0.00 N ATOM 1555 CA GLU A 99 -8.430 -5.299 5.776 1.00 0.00 C ATOM 1556 C GLU A 99 -8.317 -4.549 4.447 1.00 0.00 C ATOM 1557 O GLU A 99 -8.194 -3.325 4.430 1.00 0.00 O ATOM 1558 CB GLU A 99 -7.127 -6.032 6.103 1.00 0.00 C ATOM 1559 CG GLU A 99 -6.027 -5.044 6.500 1.00 0.00 C ATOM 1560 CD GLU A 99 -5.184 -5.595 7.651 1.00 0.00 C ATOM 1561 OE1 GLU A 99 -4.708 -6.742 7.508 1.00 0.00 O ATOM 1562 OE2 GLU A 99 -5.036 -4.857 8.649 1.00 0.00 O ATOM 0 H GLU A 99 -9.293 -7.202 5.613 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.609 -4.571 6.568 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.297 -6.738 6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.805 -6.612 5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.388 -4.842 5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.475 -4.095 6.795 1.00 0.00 H new ATOM 1569 N MET A 100 -8.364 -5.313 3.366 1.00 0.00 N ATOM 1570 CA MET A 100 -8.269 -4.736 2.036 1.00 0.00 C ATOM 1571 C MET A 100 -9.475 -3.842 1.739 1.00 0.00 C ATOM 1572 O MET A 100 -9.326 -2.762 1.170 1.00 0.00 O ATOM 1573 CB MET A 100 -8.195 -5.856 0.997 1.00 0.00 C ATOM 1574 CG MET A 100 -8.001 -5.287 -0.410 1.00 0.00 C ATOM 1575 SD MET A 100 -9.571 -4.765 -1.080 1.00 0.00 S ATOM 1576 CE MET A 100 -10.352 -6.353 -1.312 1.00 0.00 C ATOM 0 H MET A 100 -8.467 -6.328 3.384 1.00 0.00 H new ATOM 0 HA MET A 100 -7.367 -4.125 1.989 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.371 -6.527 1.239 1.00 0.00 H new ATOM 0 HB3 MET A 100 -9.109 -6.449 1.030 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.312 -4.443 -0.378 1.00 0.00 H new ATOM 0 HG3 MET A 100 -7.553 -6.041 -1.057 1.00 0.00 H new ATOM 0 HE1 MET A 100 -11.043 -6.299 -2.153 1.00 0.00 H new ATOM 0 HE2 MET A 100 -9.591 -7.106 -1.515 1.00 0.00 H new ATOM 0 HE3 MET A 100 -10.899 -6.625 -0.409 1.00 0.00 H new ATOM 1586 N GLU A 101 -10.642 -4.326 2.139 1.00 0.00 N ATOM 1587 CA GLU A 101 -11.873 -3.584 1.922 1.00 0.00 C ATOM 1588 C GLU A 101 -11.779 -2.200 2.568 1.00 0.00 C ATOM 1589 O GLU A 101 -12.063 -1.191 1.925 1.00 0.00 O ATOM 1590 CB GLU A 101 -13.080 -4.358 2.456 1.00 0.00 C ATOM 1591 CG GLU A 101 -13.947 -4.881 1.309 1.00 0.00 C ATOM 1592 CD GLU A 101 -14.281 -3.763 0.320 1.00 0.00 C ATOM 1593 OE1 GLU A 101 -15.134 -2.924 0.679 1.00 0.00 O ATOM 1594 OE2 GLU A 101 -13.675 -3.773 -0.774 1.00 0.00 O ATOM 0 H GLU A 101 -10.761 -5.222 2.612 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.012 -3.454 0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.739 -5.193 3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.675 -3.711 3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.425 -5.685 0.791 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.868 -5.305 1.709 1.00 0.00 H new ATOM 1601 N GLU A 102 -11.380 -2.198 3.831 1.00 0.00 N ATOM 1602 CA GLU A 102 -11.246 -0.955 4.571 1.00 0.00 C ATOM 1603 C GLU A 102 -10.255 -0.023 3.869 1.00 0.00 C ATOM 1604 O GLU A 102 -10.555 1.147 3.638 1.00 0.00 O ATOM 1605 CB GLU A 102 -10.818 -1.220 6.016 1.00 0.00 C ATOM 1606 CG GLU A 102 -10.758 0.082 6.818 1.00 0.00 C ATOM 1607 CD GLU A 102 -12.117 0.407 7.440 1.00 0.00 C ATOM 1608 OE1 GLU A 102 -13.049 0.683 6.654 1.00 0.00 O ATOM 1609 OE2 GLU A 102 -12.194 0.372 8.687 1.00 0.00 O ATOM 0 H GLU A 102 -11.145 -3.037 4.361 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.219 -0.465 4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.520 -1.909 6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.841 -1.703 6.027 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.006 -0.005 7.603 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.447 0.900 6.168 1.00 0.00 H new ATOM 1616 N TRP A 103 -9.096 -0.578 3.549 1.00 0.00 N ATOM 1617 CA TRP A 103 -8.060 0.188 2.877 1.00 0.00 C ATOM 1618 C TRP A 103 -8.647 0.739 1.577 1.00 0.00 C ATOM 1619 O TRP A 103 -8.886 1.940 1.459 1.00 0.00 O ATOM 1620 CB TRP A 103 -6.807 -0.661 2.655 1.00 0.00 C ATOM 1621 CG TRP A 103 -5.832 -0.654 3.834 1.00 0.00 C ATOM 1622 CD1 TRP A 103 -5.482 -1.680 4.621 1.00 0.00 C ATOM 1623 CD2 TRP A 103 -5.091 0.481 4.330 1.00 0.00 C ATOM 1624 NE1 TRP A 103 -4.574 -1.291 5.585 1.00 0.00 N ATOM 1625 CE2 TRP A 103 -4.329 0.065 5.402 1.00 0.00 C ATOM 1626 CE3 TRP A 103 -5.066 1.815 3.887 1.00 0.00 C ATOM 1627 CZ2 TRP A 103 -3.485 0.920 6.121 1.00 0.00 C ATOM 1628 CZ3 TRP A 103 -4.219 2.658 4.617 1.00 0.00 C ATOM 1629 CH2 TRP A 103 -3.445 2.254 5.698 1.00 0.00 C ATOM 0 H TRP A 103 -8.851 -1.549 3.742 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.738 1.026 3.495 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -7.108 -1.689 2.453 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.289 -0.300 1.767 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.862 -2.685 4.515 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.159 -1.889 6.300 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.654 2.162 3.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -2.897 0.570 6.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -4.163 3.695 4.319 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -2.815 2.966 6.210 1.00 0.00 H new ATOM 1640 N VAL A 104 -8.862 -0.165 0.632 1.00 0.00 N ATOM 1641 CA VAL A 104 -9.417 0.216 -0.656 1.00 0.00 C ATOM 1642 C VAL A 104 -10.520 1.255 -0.444 1.00 0.00 C ATOM 1643 O VAL A 104 -10.470 2.344 -1.013 1.00 0.00 O ATOM 1644 CB VAL A 104 -9.903 -1.027 -1.404 1.00 0.00 C ATOM 1645 CG1 VAL A 104 -10.710 -0.639 -2.645 1.00 0.00 C ATOM 1646 CG2 VAL A 104 -8.730 -1.936 -1.776 1.00 0.00 C ATOM 0 H VAL A 104 -8.662 -1.160 0.733 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.652 0.677 -1.281 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.561 -1.584 -0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.044 -1.541 -3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.577 -0.050 -2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.085 -0.050 -3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -9.103 -2.812 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -8.037 -1.391 -2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.214 -2.253 -0.870 1.00 0.00 H new ATOM 1656 N LYS A 105 -11.491 0.881 0.377 1.00 0.00 N ATOM 1657 CA LYS A 105 -12.605 1.767 0.671 1.00 0.00 C ATOM 1658 C LYS A 105 -12.083 3.194 0.848 1.00 0.00 C ATOM 1659 O LYS A 105 -12.429 4.086 0.076 1.00 0.00 O ATOM 1660 CB LYS A 105 -13.399 1.249 1.872 1.00 0.00 C ATOM 1661 CG LYS A 105 -14.561 2.186 2.206 1.00 0.00 C ATOM 1662 CD LYS A 105 -14.230 3.061 3.417 1.00 0.00 C ATOM 1663 CE LYS A 105 -14.632 2.368 4.720 1.00 0.00 C ATOM 1664 NZ LYS A 105 -15.756 3.084 5.363 1.00 0.00 N ATOM 0 H LYS A 105 -11.529 -0.023 0.848 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.307 1.785 -0.162 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.782 0.251 1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.741 1.158 2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.782 2.818 1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.458 1.601 2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.162 3.279 3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.749 4.016 3.333 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.919 1.336 4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.780 2.334 5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.016 2.600 6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.469 4.061 5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.574 3.095 4.720 1.00 0.00 H new ATOM 1678 N PHE A 106 -11.258 3.366 1.871 1.00 0.00 N ATOM 1679 CA PHE A 106 -10.684 4.669 2.160 1.00 0.00 C ATOM 1680 C PHE A 106 -9.909 5.206 0.955 1.00 0.00 C ATOM 1681 O PHE A 106 -10.191 6.301 0.469 1.00 0.00 O ATOM 1682 CB PHE A 106 -9.717 4.483 3.331 1.00 0.00 C ATOM 1683 CG PHE A 106 -10.379 4.586 4.706 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -11.134 5.673 5.019 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -10.213 3.589 5.617 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -11.748 5.768 6.295 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -10.827 3.684 6.894 1.00 0.00 C ATOM 1688 CZ PHE A 106 -11.582 4.772 7.206 1.00 0.00 C ATOM 0 H PHE A 106 -10.973 2.624 2.510 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.476 5.380 2.396 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.238 3.508 3.242 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.929 5.233 3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -11.266 6.464 4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.614 2.725 5.369 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -12.347 6.632 6.543 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -10.695 2.893 7.617 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.049 4.845 8.177 1.00 0.00 H new ATOM 1698 N LEU A 107 -8.949 4.411 0.507 1.00 0.00 N ATOM 1699 CA LEU A 107 -8.132 4.793 -0.632 1.00 0.00 C ATOM 1700 C LEU A 107 -9.034 5.324 -1.747 1.00 0.00 C ATOM 1701 O LEU A 107 -8.987 6.508 -2.078 1.00 0.00 O ATOM 1702 CB LEU A 107 -7.239 3.628 -1.066 1.00 0.00 C ATOM 1703 CG LEU A 107 -6.182 3.181 -0.055 1.00 0.00 C ATOM 1704 CD1 LEU A 107 -5.833 1.703 -0.243 1.00 0.00 C ATOM 1705 CD2 LEU A 107 -4.942 4.075 -0.126 1.00 0.00 C ATOM 0 H LEU A 107 -8.718 3.504 0.912 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.453 5.601 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.876 2.774 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.734 3.908 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.601 3.289 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -5.079 1.411 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.728 1.097 -0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.442 1.546 -1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.206 3.735 0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.512 4.023 -1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.223 5.105 0.095 1.00 0.00 H new ATOM 1717 N ARG A 108 -9.836 4.423 -2.296 1.00 0.00 N ATOM 1718 CA ARG A 108 -10.748 4.786 -3.367 1.00 0.00 C ATOM 1719 C ARG A 108 -11.595 5.992 -2.957 1.00 0.00 C ATOM 1720 O ARG A 108 -11.762 6.931 -3.734 1.00 0.00 O ATOM 1721 CB ARG A 108 -11.673 3.620 -3.722 1.00 0.00 C ATOM 1722 CG ARG A 108 -11.255 2.972 -5.044 1.00 0.00 C ATOM 1723 CD ARG A 108 -12.473 2.439 -5.802 1.00 0.00 C ATOM 1724 NE ARG A 108 -12.110 2.160 -7.210 1.00 0.00 N ATOM 1725 CZ ARG A 108 -13.000 2.033 -8.203 1.00 0.00 C ATOM 1726 NH1 ARG A 108 -14.310 2.157 -7.949 1.00 0.00 N ATOM 1727 NH2 ARG A 108 -12.580 1.780 -9.450 1.00 0.00 N ATOM 0 H ARG A 108 -9.873 3.442 -2.019 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.148 5.039 -4.241 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.650 2.877 -2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.701 3.976 -3.796 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -10.729 3.701 -5.660 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.558 2.157 -4.849 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -12.839 1.530 -5.325 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -13.283 3.167 -5.764 1.00 0.00 H new ATOM 0 HE ARG A 108 -11.121 2.058 -7.438 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -14.630 2.348 -6.999 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -14.988 2.060 -8.705 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.583 1.684 -9.643 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -13.257 1.683 -10.206 1.00 0.00 H new ATOM 1741 N ARG A 109 -12.107 5.928 -1.736 1.00 0.00 N ATOM 1742 CA ARG A 109 -12.932 7.004 -1.213 1.00 0.00 C ATOM 1743 C ARG A 109 -12.211 8.345 -1.359 1.00 0.00 C ATOM 1744 O ARG A 109 -12.650 9.211 -2.115 1.00 0.00 O ATOM 1745 CB ARG A 109 -13.270 6.772 0.261 1.00 0.00 C ATOM 1746 CG ARG A 109 -14.088 7.935 0.825 1.00 0.00 C ATOM 1747 CD ARG A 109 -15.120 7.438 1.839 1.00 0.00 C ATOM 1748 NE ARG A 109 -16.281 6.851 1.133 1.00 0.00 N ATOM 1749 CZ ARG A 109 -17.458 6.583 1.715 1.00 0.00 C ATOM 1750 NH1 ARG A 109 -17.637 6.848 3.017 1.00 0.00 N ATOM 1751 NH2 ARG A 109 -18.455 6.049 0.997 1.00 0.00 N ATOM 0 H ARG A 109 -11.966 5.148 -1.094 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.858 7.021 -1.788 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -13.830 5.843 0.368 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.351 6.657 0.835 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.423 8.655 1.301 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.593 8.457 0.012 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -14.668 6.694 2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -15.448 8.263 2.471 1.00 0.00 H new ATOM 0 HE ARG A 109 -16.179 6.637 0.141 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -16.878 7.253 3.564 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -18.533 6.644 3.460 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -18.318 5.846 0.007 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -19.351 5.845 1.441 1.00 0.00 H new ATOM 1765 N VAL A 110 -11.117 8.476 -0.624 1.00 0.00 N ATOM 1766 CA VAL A 110 -10.331 9.697 -0.662 1.00 0.00 C ATOM 1767 C VAL A 110 -10.008 10.045 -2.117 1.00 0.00 C ATOM 1768 O VAL A 110 -10.262 11.163 -2.562 1.00 0.00 O ATOM 1769 CB VAL A 110 -9.081 9.543 0.208 1.00 0.00 C ATOM 1770 CG1 VAL A 110 -8.118 10.713 -0.004 1.00 0.00 C ATOM 1771 CG2 VAL A 110 -9.455 9.401 1.684 1.00 0.00 C ATOM 0 H VAL A 110 -10.756 7.756 0.002 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.899 10.530 -0.247 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.570 8.630 -0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.238 10.579 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.813 10.749 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.615 11.646 0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.549 9.293 2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.999 10.288 2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -10.084 8.521 1.817 1.00 0.00 H new ATOM 1781 N ALA A 111 -9.451 9.067 -2.816 1.00 0.00 N ATOM 1782 CA ALA A 111 -9.091 9.256 -4.211 1.00 0.00 C ATOM 1783 C ALA A 111 -10.320 9.723 -4.992 1.00 0.00 C ATOM 1784 O ALA A 111 -10.192 10.360 -6.037 1.00 0.00 O ATOM 1785 CB ALA A 111 -8.505 7.957 -4.767 1.00 0.00 C ATOM 0 H ALA A 111 -9.240 8.142 -2.443 1.00 0.00 H new ATOM 0 HA ALA A 111 -8.327 10.027 -4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.235 8.098 -5.813 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -7.617 7.685 -4.197 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.245 7.161 -4.688 1.00 0.00 H new