USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 634 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 44 LYS NZ :NH3+ 171:sc= 2.1 (180deg=1.24) USER MOD Set 1.2: A 77 TYR OH : rot -165:sc= -1.73! USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -1.43! K(o=-1.4!,f=-0.019) USER MOD Single : A 18 GLN : amide:sc= -2.47! K(o=-2.5!,f=-1.2) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.408 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0151 K(o=-0.015,f=-1) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.312 K(o=-0.31,f=-1.9) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.466 USER MOD Single : A 76 THR OG1 : rot -21:sc= 0.85 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -90:sc= 0.0355 USER MOD Single : A 83 SER OG : rot 180:sc= -0.275 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -160:sc= -0.0913 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N PRO A 9 8.776 15.356 -0.179 1.00 0.00 N ATOM 81 CA PRO A 9 8.237 14.226 0.582 1.00 0.00 C ATOM 82 C PRO A 9 8.897 12.904 0.203 1.00 0.00 C ATOM 83 O PRO A 9 8.698 12.395 -0.900 1.00 0.00 O ATOM 84 CB PRO A 9 6.755 14.213 0.198 1.00 0.00 C ATOM 85 CG PRO A 9 6.706 14.862 -1.142 1.00 0.00 C ATOM 86 CD PRO A 9 7.801 15.893 -1.144 1.00 0.00 C ATOM 0 HA PRO A 9 8.413 14.335 1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.365 13.196 0.160 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.153 14.759 0.925 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.858 14.130 -1.936 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.734 15.324 -1.316 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.240 16.012 -2.135 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.432 16.872 -0.840 1.00 0.00 H new ATOM 94 N ILE A 10 9.681 12.354 1.124 1.00 0.00 N ATOM 95 CA ILE A 10 10.369 11.091 0.886 1.00 0.00 C ATOM 96 C ILE A 10 9.760 9.969 1.719 1.00 0.00 C ATOM 97 O ILE A 10 9.184 10.212 2.780 1.00 0.00 O ATOM 98 CB ILE A 10 11.871 11.198 1.208 1.00 0.00 C ATOM 99 CG1 ILE A 10 12.594 11.989 0.116 1.00 0.00 C ATOM 100 CG2 ILE A 10 12.481 9.813 1.358 1.00 0.00 C ATOM 101 CD1 ILE A 10 12.681 11.256 -1.204 1.00 0.00 C ATOM 0 H ILE A 10 9.856 12.763 2.042 1.00 0.00 H new ATOM 0 HA ILE A 10 10.249 10.861 -0.173 1.00 0.00 H new ATOM 0 HB ILE A 10 11.988 11.729 2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.078 12.937 -0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.601 12.227 0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.543 9.906 1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.982 9.281 2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.356 9.258 0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.206 11.876 -1.931 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.224 10.321 -1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 10 11.676 11.042 -1.568 1.00 0.00 H new ATOM 113 N ILE A 11 9.893 8.739 1.233 1.00 0.00 N ATOM 114 CA ILE A 11 9.359 7.579 1.934 1.00 0.00 C ATOM 115 C ILE A 11 10.467 6.808 2.644 1.00 0.00 C ATOM 116 O ILE A 11 11.091 5.919 2.062 1.00 0.00 O ATOM 117 CB ILE A 11 8.623 6.629 0.971 1.00 0.00 C ATOM 118 CG1 ILE A 11 7.524 7.381 0.219 1.00 0.00 C ATOM 119 CG2 ILE A 11 8.038 5.449 1.734 1.00 0.00 C ATOM 120 CD1 ILE A 11 7.067 6.681 -1.042 1.00 0.00 C ATOM 0 H ILE A 11 10.366 8.521 0.356 1.00 0.00 H new ATOM 0 HA ILE A 11 8.651 7.955 2.672 1.00 0.00 H new ATOM 0 HB ILE A 11 9.339 6.247 0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.668 7.515 0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.887 8.376 -0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.521 4.787 1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.840 4.901 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.333 5.813 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.287 7.271 -1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.911 6.571 -1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.674 5.696 -0.789 1.00 0.00 H new ATOM 132 N LEU A 12 10.705 7.152 3.905 1.00 0.00 N ATOM 133 CA LEU A 12 11.737 6.490 4.696 1.00 0.00 C ATOM 134 C LEU A 12 11.587 4.974 4.628 1.00 0.00 C ATOM 135 O LEU A 12 12.525 4.264 4.267 1.00 0.00 O ATOM 136 CB LEU A 12 11.668 6.956 6.151 1.00 0.00 C ATOM 137 CG LEU A 12 11.699 8.469 6.374 1.00 0.00 C ATOM 138 CD1 LEU A 12 11.052 8.826 7.703 1.00 0.00 C ATOM 139 CD2 LEU A 12 13.129 8.986 6.319 1.00 0.00 C ATOM 0 H LEU A 12 10.198 7.885 4.401 1.00 0.00 H new ATOM 0 HA LEU A 12 12.708 6.759 4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.753 6.562 6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.502 6.512 6.694 1.00 0.00 H new ATOM 0 HG LEU A 12 11.130 8.947 5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.083 9.906 7.844 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.015 8.490 7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.593 8.338 8.514 1.00 0.00 H new ATOM 0 HD21 LEU A 12 13.133 10.064 6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.721 8.502 7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.559 8.763 5.343 1.00 0.00 H new ATOM 151 N GLN A 13 10.400 4.486 4.975 1.00 0.00 N ATOM 152 CA GLN A 13 10.128 3.053 4.952 1.00 0.00 C ATOM 153 C GLN A 13 8.868 2.752 4.146 1.00 0.00 C ATOM 154 O GLN A 13 7.761 2.759 4.682 1.00 0.00 O ATOM 155 CB GLN A 13 9.977 2.518 6.377 1.00 0.00 C ATOM 156 CG GLN A 13 11.285 2.052 6.993 1.00 0.00 C ATOM 157 CD GLN A 13 11.103 1.474 8.383 1.00 0.00 C ATOM 158 OE1 GLN A 13 10.566 2.132 9.275 1.00 0.00 O ATOM 159 NE2 GLN A 13 11.549 0.238 8.575 1.00 0.00 N ATOM 0 H GLN A 13 9.612 5.061 5.275 1.00 0.00 H new ATOM 0 HA GLN A 13 10.971 2.556 4.473 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.547 3.298 7.005 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.271 1.687 6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.738 1.300 6.347 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.979 2.891 7.041 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.988 -0.271 7.808 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.453 -0.202 9.490 1.00 0.00 H new ATOM 168 N GLY A 14 9.046 2.488 2.855 1.00 0.00 N ATOM 169 CA GLY A 14 7.915 2.188 1.997 1.00 0.00 C ATOM 170 C GLY A 14 7.539 0.720 2.025 1.00 0.00 C ATOM 171 O GLY A 14 8.069 -0.064 2.813 1.00 0.00 O ATOM 0 H GLY A 14 9.953 2.477 2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.058 2.785 2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.152 2.480 0.974 1.00 0.00 H new ATOM 175 N PRO A 15 6.602 0.329 1.149 1.00 0.00 N ATOM 176 CA PRO A 15 6.133 -1.058 1.057 1.00 0.00 C ATOM 177 C PRO A 15 7.196 -1.992 0.488 1.00 0.00 C ATOM 178 O PRO A 15 8.370 -1.634 0.403 1.00 0.00 O ATOM 179 CB PRO A 15 4.937 -0.966 0.107 1.00 0.00 C ATOM 180 CG PRO A 15 5.201 0.246 -0.719 1.00 0.00 C ATOM 181 CD PRO A 15 5.927 1.209 0.180 1.00 0.00 C ATOM 0 HA PRO A 15 5.886 -1.471 2.035 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.855 -1.858 -0.514 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.001 -0.874 0.657 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.803 -0.001 -1.594 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.270 0.679 -1.085 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.641 1.817 -0.376 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.239 1.896 0.673 1.00 0.00 H new ATOM 189 N ALA A 16 6.775 -3.191 0.098 1.00 0.00 N ATOM 190 CA ALA A 16 7.690 -4.175 -0.466 1.00 0.00 C ATOM 191 C ALA A 16 6.930 -5.375 -1.022 1.00 0.00 C ATOM 192 O ALA A 16 5.862 -5.730 -0.526 1.00 0.00 O ATOM 193 CB ALA A 16 8.694 -4.625 0.584 1.00 0.00 C ATOM 0 H ALA A 16 5.806 -3.504 0.162 1.00 0.00 H new ATOM 0 HA ALA A 16 8.228 -3.705 -1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.371 -5.360 0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.267 -3.765 0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.165 -5.073 1.425 1.00 0.00 H new ATOM 199 N ASN A 17 7.489 -5.996 -2.056 1.00 0.00 N ATOM 200 CA ASN A 17 6.864 -7.156 -2.680 1.00 0.00 C ATOM 201 C ASN A 17 6.700 -8.293 -1.676 1.00 0.00 C ATOM 202 O ASN A 17 7.681 -8.900 -1.247 1.00 0.00 O ATOM 203 CB ASN A 17 7.696 -7.630 -3.873 1.00 0.00 C ATOM 204 CG ASN A 17 9.183 -7.627 -3.578 1.00 0.00 C ATOM 205 OD1 ASN A 17 9.750 -8.644 -3.179 1.00 0.00 O ATOM 206 ND2 ASN A 17 9.823 -6.480 -3.774 1.00 0.00 N ATOM 0 H ASN A 17 8.374 -5.715 -2.479 1.00 0.00 H new ATOM 0 HA ASN A 17 5.875 -6.859 -3.030 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.386 -8.637 -4.152 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.497 -6.986 -4.730 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.825 -6.418 -3.593 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.313 -5.662 -4.106 1.00 0.00 H new ATOM 213 N GLN A 18 5.455 -8.574 -1.306 1.00 0.00 N ATOM 214 CA GLN A 18 5.164 -9.638 -0.352 1.00 0.00 C ATOM 215 C GLN A 18 4.174 -10.639 -0.938 1.00 0.00 C ATOM 216 O GLN A 18 3.290 -10.273 -1.713 1.00 0.00 O ATOM 217 CB GLN A 18 4.606 -9.050 0.945 1.00 0.00 C ATOM 218 CG GLN A 18 3.610 -7.923 0.723 1.00 0.00 C ATOM 219 CD GLN A 18 3.463 -7.027 1.937 1.00 0.00 C ATOM 220 OE1 GLN A 18 3.357 -7.505 3.067 1.00 0.00 O ATOM 221 NE2 GLN A 18 3.456 -5.718 1.710 1.00 0.00 N ATOM 0 H GLN A 18 4.632 -8.080 -1.652 1.00 0.00 H new ATOM 0 HA GLN A 18 6.095 -10.161 -0.134 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.123 -9.843 1.516 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.433 -8.679 1.551 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.929 -7.324 -0.130 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.638 -8.347 0.469 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.547 -5.365 0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.360 -5.066 2.488 1.00 0.00 H new ATOM 230 N THR A 19 4.327 -11.905 -0.563 1.00 0.00 N ATOM 231 CA THR A 19 3.447 -12.959 -1.052 1.00 0.00 C ATOM 232 C THR A 19 2.574 -13.510 0.069 1.00 0.00 C ATOM 233 O THR A 19 3.034 -14.293 0.901 1.00 0.00 O ATOM 234 CB THR A 19 4.250 -14.115 -1.677 1.00 0.00 C ATOM 235 OG1 THR A 19 4.932 -13.659 -2.851 1.00 0.00 O ATOM 236 CG2 THR A 19 3.336 -15.277 -2.035 1.00 0.00 C ATOM 0 H THR A 19 5.053 -12.225 0.078 1.00 0.00 H new ATOM 0 HA THR A 19 2.812 -12.512 -1.817 1.00 0.00 H new ATOM 0 HB THR A 19 4.979 -14.459 -0.944 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.442 -14.399 -3.242 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.925 -16.081 -2.475 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.840 -15.641 -1.135 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.586 -14.943 -2.752 1.00 0.00 H new ATOM 244 N LEU A 20 1.311 -13.098 0.086 1.00 0.00 N ATOM 245 CA LEU A 20 0.371 -13.551 1.105 1.00 0.00 C ATOM 246 C LEU A 20 -0.667 -14.495 0.507 1.00 0.00 C ATOM 247 O LEU A 20 -0.696 -14.716 -0.703 1.00 0.00 O ATOM 248 CB LEU A 20 -0.325 -12.354 1.754 1.00 0.00 C ATOM 249 CG LEU A 20 0.582 -11.198 2.177 1.00 0.00 C ATOM 250 CD1 LEU A 20 -0.247 -10.006 2.628 1.00 0.00 C ATOM 251 CD2 LEU A 20 1.528 -11.641 3.284 1.00 0.00 C ATOM 0 H LEU A 20 0.914 -12.451 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 20 0.932 -14.093 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.068 -11.969 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.865 -12.706 2.633 1.00 0.00 H new ATOM 0 HG LEU A 20 1.178 -10.895 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.416 -9.193 2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.883 -9.674 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.869 -10.295 3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.166 -10.806 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.949 -11.971 4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.147 -12.464 2.926 1.00 0.00 H new ATOM 263 N ALA A 21 -1.520 -15.048 1.363 1.00 0.00 N ATOM 264 CA ALA A 21 -2.563 -15.964 0.919 1.00 0.00 C ATOM 265 C ALA A 21 -3.814 -15.206 0.489 1.00 0.00 C ATOM 266 O ALA A 21 -3.985 -14.032 0.820 1.00 0.00 O ATOM 267 CB ALA A 21 -2.899 -16.956 2.023 1.00 0.00 C ATOM 0 H ALA A 21 -1.509 -14.877 2.369 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.187 -16.511 0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.679 -17.634 1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.008 -17.529 2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.250 -16.416 2.903 1.00 0.00 H new ATOM 273 N VAL A 22 -4.685 -15.882 -0.253 1.00 0.00 N ATOM 274 CA VAL A 22 -5.920 -15.272 -0.729 1.00 0.00 C ATOM 275 C VAL A 22 -6.995 -15.291 0.352 1.00 0.00 C ATOM 276 O VAL A 22 -7.085 -16.236 1.136 1.00 0.00 O ATOM 277 CB VAL A 22 -6.455 -15.991 -1.982 1.00 0.00 C ATOM 278 CG1 VAL A 22 -6.837 -17.426 -1.652 1.00 0.00 C ATOM 279 CG2 VAL A 22 -7.640 -15.235 -2.564 1.00 0.00 C ATOM 0 H VAL A 22 -4.558 -16.853 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.684 -14.239 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.664 -16.015 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.213 -17.918 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.961 -17.961 -1.285 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.612 -17.429 -0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.006 -15.757 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.436 -15.178 -1.821 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.329 -14.227 -2.840 1.00 0.00 H new ATOM 289 N ASP A 23 -7.808 -14.241 0.389 1.00 0.00 N ATOM 290 CA ASP A 23 -8.879 -14.138 1.373 1.00 0.00 C ATOM 291 C ASP A 23 -8.311 -14.049 2.786 1.00 0.00 C ATOM 292 O ASP A 23 -8.787 -14.719 3.701 1.00 0.00 O ATOM 293 CB ASP A 23 -9.820 -15.338 1.263 1.00 0.00 C ATOM 294 CG ASP A 23 -11.171 -15.075 1.899 1.00 0.00 C ATOM 295 OD1 ASP A 23 -11.279 -14.111 2.686 1.00 0.00 O ATOM 296 OD2 ASP A 23 -12.120 -15.833 1.609 1.00 0.00 O ATOM 0 H ASP A 23 -7.746 -13.449 -0.251 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.441 -13.227 1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.960 -15.591 0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.359 -16.202 1.741 1.00 0.00 H new ATOM 301 N GLY A 24 -7.289 -13.215 2.957 1.00 0.00 N ATOM 302 CA GLY A 24 -6.672 -13.055 4.260 1.00 0.00 C ATOM 303 C GLY A 24 -6.516 -11.599 4.653 1.00 0.00 C ATOM 304 O GLY A 24 -7.504 -10.882 4.817 1.00 0.00 O ATOM 0 H GLY A 24 -6.878 -12.648 2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.275 -13.568 5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.693 -13.534 4.256 1.00 0.00 H new ATOM 308 N THR A 25 -5.271 -11.159 4.805 1.00 0.00 N ATOM 309 CA THR A 25 -4.989 -9.780 5.184 1.00 0.00 C ATOM 310 C THR A 25 -3.653 -9.316 4.614 1.00 0.00 C ATOM 311 O THR A 25 -2.633 -9.985 4.774 1.00 0.00 O ATOM 312 CB THR A 25 -4.967 -9.610 6.714 1.00 0.00 C ATOM 313 OG1 THR A 25 -5.961 -10.449 7.314 1.00 0.00 O ATOM 314 CG2 THR A 25 -5.218 -8.161 7.102 1.00 0.00 C ATOM 0 H THR A 25 -4.442 -11.738 4.671 1.00 0.00 H new ATOM 0 HA THR A 25 -5.791 -9.169 4.770 1.00 0.00 H new ATOM 0 HB THR A 25 -3.980 -9.900 7.075 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.940 -10.337 8.287 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.198 -8.066 8.188 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.443 -7.529 6.668 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.193 -7.848 6.729 1.00 0.00 H new ATOM 322 N ALA A 26 -3.667 -8.165 3.948 1.00 0.00 N ATOM 323 CA ALA A 26 -2.455 -7.610 3.357 1.00 0.00 C ATOM 324 C ALA A 26 -2.231 -6.173 3.813 1.00 0.00 C ATOM 325 O ALA A 26 -2.992 -5.272 3.459 1.00 0.00 O ATOM 326 CB ALA A 26 -2.530 -7.679 1.839 1.00 0.00 C ATOM 0 H ALA A 26 -4.504 -7.599 3.805 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.608 -8.207 3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.619 -7.261 1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.635 -8.718 1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.390 -7.107 1.491 1.00 0.00 H new ATOM 332 N LEU A 27 -1.181 -5.965 4.601 1.00 0.00 N ATOM 333 CA LEU A 27 -0.856 -4.635 5.107 1.00 0.00 C ATOM 334 C LEU A 27 0.371 -4.069 4.400 1.00 0.00 C ATOM 335 O LEU A 27 1.318 -4.796 4.099 1.00 0.00 O ATOM 336 CB LEU A 27 -0.611 -4.688 6.616 1.00 0.00 C ATOM 337 CG LEU A 27 -1.835 -4.463 7.504 1.00 0.00 C ATOM 338 CD1 LEU A 27 -2.525 -5.783 7.807 1.00 0.00 C ATOM 339 CD2 LEU A 27 -1.437 -3.758 8.792 1.00 0.00 C ATOM 0 H LEU A 27 -0.541 -6.699 4.903 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.703 -3.979 4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.184 -5.661 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.139 -3.938 6.869 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.537 -3.825 6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.394 -5.603 8.440 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.846 -6.248 6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.831 -6.446 8.324 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.321 -3.606 9.412 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.715 -4.369 9.333 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.990 -2.793 8.555 1.00 0.00 H new ATOM 351 N LEU A 28 0.348 -2.766 4.139 1.00 0.00 N ATOM 352 CA LEU A 28 1.460 -2.101 3.469 1.00 0.00 C ATOM 353 C LEU A 28 2.016 -0.971 4.330 1.00 0.00 C ATOM 354 O LEU A 28 1.344 0.034 4.565 1.00 0.00 O ATOM 355 CB LEU A 28 1.009 -1.551 2.115 1.00 0.00 C ATOM 356 CG LEU A 28 0.675 -2.592 1.045 1.00 0.00 C ATOM 357 CD1 LEU A 28 1.933 -3.319 0.597 1.00 0.00 C ATOM 358 CD2 LEU A 28 -0.357 -3.580 1.568 1.00 0.00 C ATOM 0 H LEU A 28 -0.428 -2.150 4.381 1.00 0.00 H new ATOM 0 HA LEU A 28 2.250 -2.836 3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.129 -0.927 2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.795 -0.902 1.729 1.00 0.00 H new ATOM 0 HG LEU A 28 0.252 -2.077 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.676 -4.056 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.640 -2.601 0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.386 -3.823 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.583 -4.314 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.039 -4.089 2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.268 -3.046 1.839 1.00 0.00 H new ATOM 370 N LYS A 29 3.249 -1.141 4.795 1.00 0.00 N ATOM 371 CA LYS A 29 3.899 -0.135 5.627 1.00 0.00 C ATOM 372 C LYS A 29 4.528 0.957 4.768 1.00 0.00 C ATOM 373 O LYS A 29 5.389 0.684 3.931 1.00 0.00 O ATOM 374 CB LYS A 29 4.967 -0.785 6.509 1.00 0.00 C ATOM 375 CG LYS A 29 4.396 -1.614 7.646 1.00 0.00 C ATOM 376 CD LYS A 29 3.728 -2.879 7.134 1.00 0.00 C ATOM 377 CE LYS A 29 3.167 -3.714 8.274 1.00 0.00 C ATOM 378 NZ LYS A 29 2.930 -5.126 7.863 1.00 0.00 N ATOM 0 H LYS A 29 3.819 -1.967 4.610 1.00 0.00 H new ATOM 0 HA LYS A 29 3.140 0.320 6.263 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.600 -1.421 5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.606 -0.006 6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.193 -1.878 8.341 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.672 -1.019 8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.925 -2.615 6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.450 -3.470 6.570 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.860 -3.692 9.115 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.231 -3.275 8.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.548 -5.662 8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.250 -5.149 7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.827 -5.554 7.557 1.00 0.00 H new ATOM 392 N CYS A 30 4.095 2.195 4.982 1.00 0.00 N ATOM 393 CA CYS A 30 4.616 3.329 4.228 1.00 0.00 C ATOM 394 C CYS A 30 4.695 4.575 5.105 1.00 0.00 C ATOM 395 O CYS A 30 3.672 5.130 5.508 1.00 0.00 O ATOM 396 CB CYS A 30 3.736 3.605 3.008 1.00 0.00 C ATOM 397 SG CYS A 30 4.628 4.338 1.598 1.00 0.00 S ATOM 0 H CYS A 30 3.384 2.438 5.672 1.00 0.00 H new ATOM 0 HA CYS A 30 5.622 3.078 3.892 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.275 2.671 2.687 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.927 4.275 3.301 1.00 0.00 H new ATOM 402 N LYS A 31 5.916 5.010 5.398 1.00 0.00 N ATOM 403 CA LYS A 31 6.130 6.191 6.226 1.00 0.00 C ATOM 404 C LYS A 31 6.960 7.233 5.483 1.00 0.00 C ATOM 405 O LYS A 31 8.085 6.961 5.066 1.00 0.00 O ATOM 406 CB LYS A 31 6.828 5.804 7.532 1.00 0.00 C ATOM 407 CG LYS A 31 6.866 6.925 8.556 1.00 0.00 C ATOM 408 CD LYS A 31 7.229 6.406 9.937 1.00 0.00 C ATOM 409 CE LYS A 31 7.410 7.544 10.930 1.00 0.00 C ATOM 410 NZ LYS A 31 7.305 7.072 12.339 1.00 0.00 N ATOM 0 H LYS A 31 6.773 4.562 5.074 1.00 0.00 H new ATOM 0 HA LYS A 31 5.157 6.624 6.456 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.318 4.944 7.966 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.848 5.491 7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.592 7.677 8.247 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.894 7.417 8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.448 5.733 10.291 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.148 5.823 9.878 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.383 8.010 10.775 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.656 8.310 10.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.434 7.877 12.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.367 6.650 12.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.040 6.360 12.522 1.00 0.00 H new ATOM 424 N ALA A 32 6.398 8.426 5.323 1.00 0.00 N ATOM 425 CA ALA A 32 7.088 9.510 4.633 1.00 0.00 C ATOM 426 C ALA A 32 7.238 10.728 5.538 1.00 0.00 C ATOM 427 O ALA A 32 6.498 10.889 6.509 1.00 0.00 O ATOM 428 CB ALA A 32 6.343 9.884 3.361 1.00 0.00 C ATOM 0 H ALA A 32 5.467 8.667 5.662 1.00 0.00 H new ATOM 0 HA ALA A 32 8.086 9.162 4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.869 10.694 2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.292 9.018 2.701 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.333 10.208 3.613 1.00 0.00 H new ATOM 434 N THR A 33 8.203 11.584 5.214 1.00 0.00 N ATOM 435 CA THR A 33 8.452 12.787 5.999 1.00 0.00 C ATOM 436 C THR A 33 8.413 14.033 5.122 1.00 0.00 C ATOM 437 O THR A 33 8.926 14.034 4.004 1.00 0.00 O ATOM 438 CB THR A 33 9.814 12.719 6.714 1.00 0.00 C ATOM 439 OG1 THR A 33 10.217 14.029 7.126 1.00 0.00 O ATOM 440 CG2 THR A 33 10.875 12.120 5.802 1.00 0.00 C ATOM 0 H THR A 33 8.824 11.466 4.414 1.00 0.00 H new ATOM 0 HA THR A 33 7.660 12.847 6.746 1.00 0.00 H new ATOM 0 HB THR A 33 9.708 12.080 7.590 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.083 13.977 7.581 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.828 12.082 6.329 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.580 11.111 5.514 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.978 12.737 4.909 1.00 0.00 H new ATOM 448 N GLY A 34 7.800 15.095 5.637 1.00 0.00 N ATOM 449 CA GLY A 34 7.706 16.334 4.887 1.00 0.00 C ATOM 450 C GLY A 34 6.706 17.301 5.488 1.00 0.00 C ATOM 451 O GLY A 34 5.690 16.886 6.046 1.00 0.00 O ATOM 0 H GLY A 34 7.367 15.119 6.560 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.687 16.808 4.849 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.419 16.112 3.859 1.00 0.00 H new ATOM 455 N ASP A 35 6.994 18.593 5.376 1.00 0.00 N ATOM 456 CA ASP A 35 6.112 19.622 5.914 1.00 0.00 C ATOM 457 C ASP A 35 5.637 20.562 4.810 1.00 0.00 C ATOM 458 O ASP A 35 6.433 21.186 4.108 1.00 0.00 O ATOM 459 CB ASP A 35 6.828 20.419 7.005 1.00 0.00 C ATOM 460 CG ASP A 35 5.868 20.992 8.029 1.00 0.00 C ATOM 461 OD1 ASP A 35 4.824 21.543 7.620 1.00 0.00 O ATOM 462 OD2 ASP A 35 6.159 20.890 9.239 1.00 0.00 O ATOM 0 H ASP A 35 7.831 18.953 4.918 1.00 0.00 H new ATOM 0 HA ASP A 35 5.242 19.129 6.347 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.549 19.774 7.508 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.392 21.231 6.546 1.00 0.00 H new ATOM 467 N PRO A 36 4.309 20.665 4.650 1.00 0.00 N ATOM 468 CA PRO A 36 3.353 19.926 5.480 1.00 0.00 C ATOM 469 C PRO A 36 3.370 18.429 5.190 1.00 0.00 C ATOM 470 O PRO A 36 3.928 17.987 4.185 1.00 0.00 O ATOM 471 CB PRO A 36 2.002 20.531 5.088 1.00 0.00 C ATOM 472 CG PRO A 36 2.208 21.055 3.709 1.00 0.00 C ATOM 473 CD PRO A 36 3.640 21.510 3.648 1.00 0.00 C ATOM 0 HA PRO A 36 3.583 20.013 6.542 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.211 19.782 5.113 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.710 21.326 5.774 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.012 20.283 2.965 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.527 21.880 3.499 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.065 21.368 2.654 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.736 22.569 3.887 1.00 0.00 H new ATOM 481 N LEU A 37 2.755 17.653 6.076 1.00 0.00 N ATOM 482 CA LEU A 37 2.699 16.204 5.915 1.00 0.00 C ATOM 483 C LEU A 37 2.167 15.829 4.536 1.00 0.00 C ATOM 484 O LEU A 37 1.184 16.389 4.050 1.00 0.00 O ATOM 485 CB LEU A 37 1.817 15.584 7.001 1.00 0.00 C ATOM 486 CG LEU A 37 1.670 14.063 6.959 1.00 0.00 C ATOM 487 CD1 LEU A 37 2.878 13.392 7.595 1.00 0.00 C ATOM 488 CD2 LEU A 37 0.389 13.631 7.657 1.00 0.00 C ATOM 0 H LEU A 37 2.288 18.003 6.913 1.00 0.00 H new ATOM 0 HA LEU A 37 3.712 15.813 6.011 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.223 15.863 7.973 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.824 16.027 6.931 1.00 0.00 H new ATOM 0 HG LEU A 37 1.614 13.752 5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.756 12.310 7.556 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.779 13.675 7.052 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.966 13.710 8.634 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.301 12.545 7.617 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.414 13.955 8.697 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.468 14.083 7.157 1.00 0.00 H new ATOM 500 N PRO A 38 2.829 14.858 3.889 1.00 0.00 N ATOM 501 CA PRO A 38 2.439 14.385 2.558 1.00 0.00 C ATOM 502 C PRO A 38 1.126 13.610 2.580 1.00 0.00 C ATOM 503 O PRO A 38 0.702 13.117 3.626 1.00 0.00 O ATOM 504 CB PRO A 38 3.595 13.467 2.155 1.00 0.00 C ATOM 505 CG PRO A 38 4.180 13.005 3.445 1.00 0.00 C ATOM 506 CD PRO A 38 4.009 14.147 4.409 1.00 0.00 C ATOM 0 HA PRO A 38 2.270 15.210 1.866 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.243 12.627 1.557 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.332 13.999 1.554 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.672 12.110 3.806 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.233 12.748 3.327 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.848 13.793 5.427 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.889 14.790 4.430 1.00 0.00 H new ATOM 514 N VAL A 39 0.486 13.506 1.420 1.00 0.00 N ATOM 515 CA VAL A 39 -0.779 12.789 1.306 1.00 0.00 C ATOM 516 C VAL A 39 -0.567 11.385 0.750 1.00 0.00 C ATOM 517 O VAL A 39 -0.580 11.179 -0.464 1.00 0.00 O ATOM 518 CB VAL A 39 -1.772 13.543 0.402 1.00 0.00 C ATOM 519 CG1 VAL A 39 -3.082 12.778 0.294 1.00 0.00 C ATOM 520 CG2 VAL A 39 -2.008 14.950 0.928 1.00 0.00 C ATOM 0 H VAL A 39 0.822 13.909 0.546 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.195 12.719 2.311 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.341 13.621 -0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.771 13.326 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.894 11.793 -0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.521 12.667 1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.712 15.468 0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.417 14.897 1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.064 15.494 0.948 1.00 0.00 H new ATOM 530 N ILE A 40 -0.372 10.423 1.646 1.00 0.00 N ATOM 531 CA ILE A 40 -0.159 9.038 1.245 1.00 0.00 C ATOM 532 C ILE A 40 -1.284 8.548 0.340 1.00 0.00 C ATOM 533 O ILE A 40 -2.463 8.725 0.648 1.00 0.00 O ATOM 534 CB ILE A 40 -0.056 8.107 2.467 1.00 0.00 C ATOM 535 CG1 ILE A 40 1.151 8.490 3.327 1.00 0.00 C ATOM 536 CG2 ILE A 40 0.044 6.656 2.021 1.00 0.00 C ATOM 537 CD1 ILE A 40 2.480 8.226 2.655 1.00 0.00 C ATOM 0 H ILE A 40 -0.357 10.577 2.654 1.00 0.00 H new ATOM 0 HA ILE A 40 0.783 9.010 0.697 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.958 8.220 3.068 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.085 9.548 3.581 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.110 7.935 4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.116 6.010 2.896 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.843 6.390 1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.931 6.526 1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.290 8.521 3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.567 7.164 2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.542 8.802 1.732 1.00 0.00 H new ATOM 549 N SER A 41 -0.913 7.931 -0.777 1.00 0.00 N ATOM 550 CA SER A 41 -1.891 7.416 -1.728 1.00 0.00 C ATOM 551 C SER A 41 -1.448 6.068 -2.287 1.00 0.00 C ATOM 552 O SER A 41 -0.275 5.705 -2.205 1.00 0.00 O ATOM 553 CB SER A 41 -2.096 8.413 -2.870 1.00 0.00 C ATOM 554 OG SER A 41 -3.132 9.331 -2.566 1.00 0.00 O ATOM 0 H SER A 41 0.059 7.775 -1.046 1.00 0.00 H new ATOM 0 HA SER A 41 -2.836 7.278 -1.202 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.168 8.955 -3.055 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.339 7.876 -3.787 1.00 0.00 H new ATOM 0 HG SER A 41 -3.242 9.958 -3.311 1.00 0.00 H new ATOM 560 N TRP A 42 -2.395 5.331 -2.857 1.00 0.00 N ATOM 561 CA TRP A 42 -2.103 4.023 -3.430 1.00 0.00 C ATOM 562 C TRP A 42 -2.755 3.871 -4.800 1.00 0.00 C ATOM 563 O TRP A 42 -3.954 4.106 -4.958 1.00 0.00 O ATOM 564 CB TRP A 42 -2.588 2.913 -2.496 1.00 0.00 C ATOM 565 CG TRP A 42 -1.892 2.908 -1.169 1.00 0.00 C ATOM 566 CD1 TRP A 42 -2.324 3.494 -0.014 1.00 0.00 C ATOM 567 CD2 TRP A 42 -0.639 2.287 -0.861 1.00 0.00 C ATOM 568 NE1 TRP A 42 -1.415 3.276 0.993 1.00 0.00 N ATOM 569 CE2 TRP A 42 -0.373 2.537 0.499 1.00 0.00 C ATOM 570 CE3 TRP A 42 0.283 1.543 -1.602 1.00 0.00 C ATOM 571 CZ2 TRP A 42 0.776 2.070 1.131 1.00 0.00 C ATOM 572 CZ3 TRP A 42 1.424 1.080 -0.973 1.00 0.00 C ATOM 573 CH2 TRP A 42 1.662 1.344 0.382 1.00 0.00 C ATOM 0 H TRP A 42 -3.371 5.617 -2.934 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.023 3.941 -3.550 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.660 3.026 -2.336 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.438 1.948 -2.981 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -3.245 4.048 0.092 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.502 3.610 1.953 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.108 1.333 -2.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.962 2.273 2.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.144 0.505 -1.536 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.562 0.967 0.845 1.00 0.00 H new ATOM 584 N LEU A 43 -1.959 3.478 -5.789 1.00 0.00 N ATOM 585 CA LEU A 43 -2.460 3.295 -7.147 1.00 0.00 C ATOM 586 C LEU A 43 -2.261 1.856 -7.611 1.00 0.00 C ATOM 587 O LEU A 43 -1.131 1.381 -7.730 1.00 0.00 O ATOM 588 CB LEU A 43 -1.753 4.255 -8.106 1.00 0.00 C ATOM 589 CG LEU A 43 -2.200 5.715 -8.045 1.00 0.00 C ATOM 590 CD1 LEU A 43 -1.243 6.600 -8.828 1.00 0.00 C ATOM 591 CD2 LEU A 43 -3.619 5.861 -8.575 1.00 0.00 C ATOM 0 H LEU A 43 -0.965 3.280 -5.676 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.528 3.513 -7.147 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.683 4.215 -7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.900 3.893 -9.124 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.188 6.035 -7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.578 7.636 -8.773 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.242 6.519 -8.403 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.222 6.280 -9.870 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.921 6.907 -8.524 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.657 5.522 -9.610 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.297 5.258 -7.971 1.00 0.00 H new ATOM 603 N LYS A 44 -3.366 1.167 -7.875 1.00 0.00 N ATOM 604 CA LYS A 44 -3.314 -0.218 -8.330 1.00 0.00 C ATOM 605 C LYS A 44 -3.358 -0.292 -9.853 1.00 0.00 C ATOM 606 O LYS A 44 -4.426 -0.193 -10.457 1.00 0.00 O ATOM 607 CB LYS A 44 -4.478 -1.015 -7.736 1.00 0.00 C ATOM 608 CG LYS A 44 -4.344 -2.517 -7.921 1.00 0.00 C ATOM 609 CD LYS A 44 -5.046 -3.280 -6.811 1.00 0.00 C ATOM 610 CE LYS A 44 -4.571 -4.723 -6.740 1.00 0.00 C ATOM 611 NZ LYS A 44 -4.773 -5.308 -5.386 1.00 0.00 N ATOM 0 H LYS A 44 -4.309 1.545 -7.782 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.374 -0.651 -7.990 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.553 -0.794 -6.671 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.408 -0.682 -8.197 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.765 -2.805 -8.884 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.289 -2.789 -7.940 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.861 -2.788 -5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.123 -3.258 -6.978 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.109 -5.319 -7.477 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.514 -4.771 -7.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.581 -6.330 -5.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.124 -4.854 -4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.755 -5.149 -5.082 1.00 0.00 H new ATOM 625 N GLU A 45 -2.192 -0.467 -10.466 1.00 0.00 N ATOM 626 CA GLU A 45 -2.099 -0.555 -11.919 1.00 0.00 C ATOM 627 C GLU A 45 -2.572 0.740 -12.574 1.00 0.00 C ATOM 628 O GLU A 45 -3.350 0.718 -13.526 1.00 0.00 O ATOM 629 CB GLU A 45 -2.929 -1.733 -12.435 1.00 0.00 C ATOM 630 CG GLU A 45 -2.503 -3.075 -11.863 1.00 0.00 C ATOM 631 CD GLU A 45 -3.567 -4.142 -12.025 1.00 0.00 C ATOM 632 OE1 GLU A 45 -4.732 -3.881 -11.658 1.00 0.00 O ATOM 633 OE2 GLU A 45 -3.235 -5.240 -12.520 1.00 0.00 O ATOM 0 H GLU A 45 -1.299 -0.551 -9.980 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.053 -0.714 -12.182 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.978 -1.561 -12.193 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.854 -1.771 -13.522 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.588 -3.402 -12.356 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.270 -2.957 -10.805 1.00 0.00 H new ATOM 640 N GLY A 46 -2.095 1.867 -12.054 1.00 0.00 N ATOM 641 CA GLY A 46 -2.479 3.156 -12.599 1.00 0.00 C ATOM 642 C GLY A 46 -3.963 3.428 -12.451 1.00 0.00 C ATOM 643 O GLY A 46 -4.623 3.847 -13.403 1.00 0.00 O ATOM 0 H GLY A 46 -1.450 1.910 -11.265 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.916 3.942 -12.096 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.209 3.196 -13.654 1.00 0.00 H new ATOM 647 N PHE A 47 -4.491 3.190 -11.255 1.00 0.00 N ATOM 648 CA PHE A 47 -5.907 3.410 -10.987 1.00 0.00 C ATOM 649 C PHE A 47 -6.140 3.713 -9.510 1.00 0.00 C ATOM 650 O PHE A 47 -5.442 3.193 -8.639 1.00 0.00 O ATOM 651 CB PHE A 47 -6.723 2.184 -11.402 1.00 0.00 C ATOM 652 CG PHE A 47 -6.649 1.883 -12.871 1.00 0.00 C ATOM 653 CD1 PHE A 47 -7.194 2.756 -13.799 1.00 0.00 C ATOM 654 CD2 PHE A 47 -6.034 0.728 -13.326 1.00 0.00 C ATOM 655 CE1 PHE A 47 -7.126 2.483 -15.152 1.00 0.00 C ATOM 656 CE2 PHE A 47 -5.963 0.449 -14.678 1.00 0.00 C ATOM 657 CZ PHE A 47 -6.511 1.328 -15.592 1.00 0.00 C ATOM 0 H PHE A 47 -3.959 2.845 -10.456 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.233 4.270 -11.572 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.370 1.317 -10.844 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.765 2.340 -11.123 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.678 3.661 -13.461 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.605 0.037 -12.616 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.554 3.173 -15.865 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.480 -0.455 -15.019 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.458 1.112 -16.649 1.00 0.00 H new ATOM 667 N THR A 48 -7.127 4.561 -9.234 1.00 0.00 N ATOM 668 CA THR A 48 -7.452 4.936 -7.864 1.00 0.00 C ATOM 669 C THR A 48 -7.618 3.704 -6.981 1.00 0.00 C ATOM 670 O THR A 48 -8.264 2.732 -7.370 1.00 0.00 O ATOM 671 CB THR A 48 -8.742 5.775 -7.802 1.00 0.00 C ATOM 672 OG1 THR A 48 -8.988 6.197 -6.456 1.00 0.00 O ATOM 673 CG2 THR A 48 -9.931 4.978 -8.315 1.00 0.00 C ATOM 0 H THR A 48 -7.715 5.001 -9.942 1.00 0.00 H new ATOM 0 HA THR A 48 -6.620 5.535 -7.495 1.00 0.00 H new ATOM 0 HB THR A 48 -8.611 6.650 -8.438 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.809 6.731 -6.426 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.830 5.591 -8.261 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.753 4.684 -9.349 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.063 4.086 -7.702 1.00 0.00 H new ATOM 681 N PHE A 49 -7.031 3.752 -5.790 1.00 0.00 N ATOM 682 CA PHE A 49 -7.114 2.640 -4.851 1.00 0.00 C ATOM 683 C PHE A 49 -6.726 3.085 -3.444 1.00 0.00 C ATOM 684 O PHE A 49 -5.780 3.847 -3.245 1.00 0.00 O ATOM 685 CB PHE A 49 -6.206 1.494 -5.304 1.00 0.00 C ATOM 686 CG PHE A 49 -6.322 0.264 -4.450 1.00 0.00 C ATOM 687 CD1 PHE A 49 -5.892 0.275 -3.133 1.00 0.00 C ATOM 688 CD2 PHE A 49 -6.862 -0.904 -4.965 1.00 0.00 C ATOM 689 CE1 PHE A 49 -5.998 -0.856 -2.345 1.00 0.00 C ATOM 690 CE2 PHE A 49 -6.970 -2.038 -4.182 1.00 0.00 C ATOM 691 CZ PHE A 49 -6.538 -2.013 -2.870 1.00 0.00 C ATOM 0 H PHE A 49 -6.492 4.550 -5.452 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.146 2.291 -4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.448 1.235 -6.335 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.171 1.836 -5.296 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.469 1.178 -2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.202 -0.928 -5.990 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.659 -0.834 -1.320 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.392 -2.942 -4.595 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.623 -2.897 -2.256 1.00 0.00 H new ATOM 701 N PRO A 50 -7.475 2.599 -2.443 1.00 0.00 N ATOM 702 CA PRO A 50 -8.604 1.691 -2.668 1.00 0.00 C ATOM 703 C PRO A 50 -9.782 2.387 -3.342 1.00 0.00 C ATOM 704 O PRO A 50 -10.399 1.840 -4.254 1.00 0.00 O ATOM 705 CB PRO A 50 -8.986 1.243 -1.255 1.00 0.00 C ATOM 706 CG PRO A 50 -8.518 2.345 -0.368 1.00 0.00 C ATOM 707 CD PRO A 50 -7.278 2.898 -1.015 1.00 0.00 C ATOM 0 HA PRO A 50 -8.340 0.870 -3.334 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.062 1.092 -1.165 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.509 0.298 -0.997 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.282 3.116 -0.266 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.303 1.975 0.634 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.177 3.969 -0.839 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.377 2.424 -0.626 1.00 0.00 H new ATOM 715 N GLY A 51 -10.088 3.598 -2.886 1.00 0.00 N ATOM 716 CA GLY A 51 -11.191 4.349 -3.457 1.00 0.00 C ATOM 717 C GLY A 51 -12.542 3.799 -3.043 1.00 0.00 C ATOM 718 O GLY A 51 -13.013 4.060 -1.937 1.00 0.00 O ATOM 0 H GLY A 51 -9.592 4.072 -2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.116 5.391 -3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.113 4.333 -4.544 1.00 0.00 H new ATOM 772 N ARG A 55 -13.652 -2.567 1.569 1.00 0.00 N ATOM 773 CA ARG A 55 -12.937 -3.584 2.330 1.00 0.00 C ATOM 774 C ARG A 55 -11.582 -3.061 2.798 1.00 0.00 C ATOM 775 O ARG A 55 -11.234 -3.173 3.973 1.00 0.00 O ATOM 776 CB ARG A 55 -12.745 -4.844 1.484 1.00 0.00 C ATOM 777 CG ARG A 55 -14.037 -5.597 1.212 1.00 0.00 C ATOM 778 CD ARG A 55 -13.766 -7.025 0.764 1.00 0.00 C ATOM 779 NE ARG A 55 -13.011 -7.073 -0.485 1.00 0.00 N ATOM 780 CZ ARG A 55 -13.008 -8.121 -1.302 1.00 0.00 C ATOM 781 NH1 ARG A 55 -13.715 -9.202 -1.002 1.00 0.00 N ATOM 782 NH2 ARG A 55 -12.296 -8.089 -2.421 1.00 0.00 N ATOM 0 HA ARG A 55 -13.534 -3.832 3.208 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.289 -4.567 0.534 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.046 -5.509 1.991 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.650 -5.607 2.113 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.608 -5.076 0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.213 -7.550 1.542 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.712 -7.550 0.636 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.456 -6.258 -0.744 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.263 -9.231 -0.142 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.711 -10.005 -1.631 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.750 -7.260 -2.655 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.294 -8.894 -3.048 1.00 0.00 H new ATOM 796 N ALA A 56 -10.821 -2.491 1.869 1.00 0.00 N ATOM 797 CA ALA A 56 -9.506 -1.949 2.186 1.00 0.00 C ATOM 798 C ALA A 56 -9.623 -0.631 2.944 1.00 0.00 C ATOM 799 O ALA A 56 -10.708 -0.061 3.056 1.00 0.00 O ATOM 800 CB ALA A 56 -8.693 -1.759 0.914 1.00 0.00 C ATOM 0 H ALA A 56 -11.093 -2.393 0.891 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.992 -2.663 2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.713 -1.354 1.166 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.571 -2.720 0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.212 -1.068 0.250 1.00 0.00 H new ATOM 806 N THR A 57 -8.497 -0.151 3.464 1.00 0.00 N ATOM 807 CA THR A 57 -8.474 1.099 4.213 1.00 0.00 C ATOM 808 C THR A 57 -7.043 1.554 4.480 1.00 0.00 C ATOM 809 O THR A 57 -6.092 0.807 4.248 1.00 0.00 O ATOM 810 CB THR A 57 -9.216 0.963 5.556 1.00 0.00 C ATOM 811 OG1 THR A 57 -9.121 2.186 6.295 1.00 0.00 O ATOM 812 CG2 THR A 57 -8.638 -0.179 6.380 1.00 0.00 C ATOM 0 H THR A 57 -7.590 -0.609 3.380 1.00 0.00 H new ATOM 0 HA THR A 57 -8.981 1.844 3.600 1.00 0.00 H new ATOM 0 HB THR A 57 -10.263 0.746 5.347 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.597 2.091 7.147 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.178 -0.256 7.324 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.738 -1.113 5.828 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.584 0.013 6.579 1.00 0.00 H new ATOM 820 N ILE A 58 -6.899 2.781 4.967 1.00 0.00 N ATOM 821 CA ILE A 58 -5.584 3.334 5.267 1.00 0.00 C ATOM 822 C ILE A 58 -5.541 3.919 6.674 1.00 0.00 C ATOM 823 O ILE A 58 -6.435 4.663 7.074 1.00 0.00 O ATOM 824 CB ILE A 58 -5.189 4.427 4.256 1.00 0.00 C ATOM 825 CG1 ILE A 58 -5.362 3.915 2.825 1.00 0.00 C ATOM 826 CG2 ILE A 58 -3.755 4.876 4.494 1.00 0.00 C ATOM 827 CD1 ILE A 58 -5.706 5.003 1.831 1.00 0.00 C ATOM 0 H ILE A 58 -7.677 3.412 5.162 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.872 2.511 5.197 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.846 5.286 4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.441 3.424 2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.147 3.159 2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.491 5.648 3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.662 5.276 5.504 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.083 4.025 4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.814 4.567 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.642 5.479 2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.910 5.747 1.816 1.00 0.00 H new ATOM 888 N GLY A 62 -0.374 5.788 6.792 1.00 0.00 N ATOM 889 CA GLY A 62 -0.600 5.375 5.419 1.00 0.00 C ATOM 890 C GLY A 62 -0.532 3.870 5.248 1.00 0.00 C ATOM 891 O GLY A 62 -0.129 3.374 4.195 1.00 0.00 O ATOM 0 HA2 GLY A 62 -1.577 5.731 5.092 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.143 5.845 4.774 1.00 0.00 H new ATOM 895 N THR A 63 -0.926 3.140 6.286 1.00 0.00 N ATOM 896 CA THR A 63 -0.906 1.683 6.247 1.00 0.00 C ATOM 897 C THR A 63 -2.137 1.135 5.535 1.00 0.00 C ATOM 898 O THR A 63 -3.252 1.211 6.054 1.00 0.00 O ATOM 899 CB THR A 63 -0.838 1.084 7.665 1.00 0.00 C ATOM 900 OG1 THR A 63 0.188 1.735 8.423 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.562 -0.411 7.608 1.00 0.00 C ATOM 0 H THR A 63 -1.263 3.534 7.164 1.00 0.00 H new ATOM 0 HA THR A 63 -0.012 1.394 5.695 1.00 0.00 H new ATOM 0 HB THR A 63 -1.802 1.241 8.149 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.224 1.350 9.323 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.518 -0.812 8.621 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.360 -0.907 7.055 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.390 -0.586 7.107 1.00 0.00 H new ATOM 909 N LEU A 64 -1.930 0.582 4.346 1.00 0.00 N ATOM 910 CA LEU A 64 -3.024 0.019 3.562 1.00 0.00 C ATOM 911 C LEU A 64 -3.301 -1.424 3.971 1.00 0.00 C ATOM 912 O LEU A 64 -2.493 -2.317 3.718 1.00 0.00 O ATOM 913 CB LEU A 64 -2.694 0.083 2.069 1.00 0.00 C ATOM 914 CG LEU A 64 -3.890 0.164 1.120 1.00 0.00 C ATOM 915 CD1 LEU A 64 -3.450 0.643 -0.254 1.00 0.00 C ATOM 916 CD2 LEU A 64 -4.583 -1.188 1.020 1.00 0.00 C ATOM 0 H LEU A 64 -1.014 0.511 3.903 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.919 0.611 3.756 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.058 0.951 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.108 -0.799 1.809 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.601 0.886 1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.315 0.694 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.000 1.632 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.719 -0.053 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.432 -1.112 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.880 -1.930 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.934 -1.491 2.007 1.00 0.00 H new ATOM 928 N GLN A 65 -4.450 -1.644 4.603 1.00 0.00 N ATOM 929 CA GLN A 65 -4.834 -2.979 5.045 1.00 0.00 C ATOM 930 C GLN A 65 -6.007 -3.507 4.227 1.00 0.00 C ATOM 931 O GLN A 65 -7.117 -2.978 4.302 1.00 0.00 O ATOM 932 CB GLN A 65 -5.200 -2.961 6.531 1.00 0.00 C ATOM 933 CG GLN A 65 -5.887 -4.232 7.003 1.00 0.00 C ATOM 934 CD GLN A 65 -6.537 -4.073 8.364 1.00 0.00 C ATOM 935 OE1 GLN A 65 -7.021 -2.996 8.711 1.00 0.00 O ATOM 936 NE2 GLN A 65 -6.550 -5.148 9.143 1.00 0.00 N ATOM 0 H GLN A 65 -5.130 -0.915 4.820 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.983 -3.643 4.895 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.294 -2.808 7.118 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.854 -2.111 6.726 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.644 -4.523 6.275 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.157 -5.041 7.045 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.137 -6.021 8.815 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.973 -5.101 10.070 1.00 0.00 H new ATOM 945 N ILE A 66 -5.755 -4.552 3.446 1.00 0.00 N ATOM 946 CA ILE A 66 -6.791 -5.152 2.615 1.00 0.00 C ATOM 947 C ILE A 66 -7.298 -6.455 3.223 1.00 0.00 C ATOM 948 O ILE A 66 -6.514 -7.338 3.570 1.00 0.00 O ATOM 949 CB ILE A 66 -6.278 -5.429 1.189 1.00 0.00 C ATOM 950 CG1 ILE A 66 -5.509 -4.219 0.656 1.00 0.00 C ATOM 951 CG2 ILE A 66 -7.437 -5.776 0.267 1.00 0.00 C ATOM 952 CD1 ILE A 66 -4.655 -4.530 -0.554 1.00 0.00 C ATOM 0 H ILE A 66 -4.842 -5.001 3.371 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.610 -4.435 2.565 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.599 -6.281 1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.219 -3.433 0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.872 -3.826 1.448 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.058 -5.969 -0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.945 -6.665 0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.139 -4.943 0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.139 -3.626 -0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.921 -5.294 -0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.289 -4.895 -1.362 1.00 0.00 H new ATOM 964 N LYS A 67 -8.616 -6.570 3.347 1.00 0.00 N ATOM 965 CA LYS A 67 -9.231 -7.766 3.910 1.00 0.00 C ATOM 966 C LYS A 67 -10.006 -8.533 2.844 1.00 0.00 C ATOM 967 O LYS A 67 -10.600 -7.936 1.947 1.00 0.00 O ATOM 968 CB LYS A 67 -10.164 -7.390 5.064 1.00 0.00 C ATOM 969 CG LYS A 67 -9.455 -6.710 6.222 1.00 0.00 C ATOM 970 CD LYS A 67 -10.372 -6.558 7.424 1.00 0.00 C ATOM 971 CE LYS A 67 -10.517 -7.866 8.185 1.00 0.00 C ATOM 972 NZ LYS A 67 -11.369 -7.713 9.397 1.00 0.00 N ATOM 0 H LYS A 67 -9.279 -5.848 3.065 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.436 -8.409 4.288 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.945 -6.729 4.688 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.658 -8.291 5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.577 -7.291 6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.100 -5.729 5.907 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.976 -5.791 8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.353 -6.218 7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.951 -8.621 7.529 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.531 -8.227 8.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.443 -8.627 9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.942 -7.011 10.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.318 -7.393 9.116 1.00 0.00 H new ATOM 986 N ASN A 68 -9.997 -9.857 2.950 1.00 0.00 N ATOM 987 CA ASN A 68 -10.701 -10.705 1.995 1.00 0.00 C ATOM 988 C ASN A 68 -10.014 -10.677 0.633 1.00 0.00 C ATOM 989 O ASN A 68 -10.668 -10.544 -0.403 1.00 0.00 O ATOM 990 CB ASN A 68 -12.156 -10.252 1.854 1.00 0.00 C ATOM 991 CG ASN A 68 -12.812 -9.988 3.195 1.00 0.00 C ATOM 992 OD1 ASN A 68 -12.909 -8.843 3.637 1.00 0.00 O ATOM 993 ND2 ASN A 68 -13.265 -11.051 3.851 1.00 0.00 N ATOM 0 H ASN A 68 -9.510 -10.366 3.687 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.681 -11.728 2.372 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.195 -9.346 1.249 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.721 -11.016 1.320 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.715 -10.936 4.759 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.163 -11.982 3.446 1.00 0.00 H new ATOM 1000 N LEU A 69 -8.692 -10.803 0.641 1.00 0.00 N ATOM 1001 CA LEU A 69 -7.914 -10.793 -0.593 1.00 0.00 C ATOM 1002 C LEU A 69 -8.477 -11.793 -1.599 1.00 0.00 C ATOM 1003 O LEU A 69 -9.192 -12.725 -1.230 1.00 0.00 O ATOM 1004 CB LEU A 69 -6.449 -11.118 -0.299 1.00 0.00 C ATOM 1005 CG LEU A 69 -5.681 -10.078 0.516 1.00 0.00 C ATOM 1006 CD1 LEU A 69 -4.440 -10.697 1.139 1.00 0.00 C ATOM 1007 CD2 LEU A 69 -5.305 -8.888 -0.356 1.00 0.00 C ATOM 0 H LEU A 69 -8.136 -10.913 1.489 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.978 -9.795 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.408 -12.069 0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.932 -11.261 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.328 -9.725 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.906 -9.941 1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.733 -11.515 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.790 -11.079 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.759 -8.158 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.677 -9.225 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.210 -8.428 -0.754 1.00 0.00 H new ATOM 1019 N ARG A 70 -8.148 -11.593 -2.871 1.00 0.00 N ATOM 1020 CA ARG A 70 -8.619 -12.477 -3.930 1.00 0.00 C ATOM 1021 C ARG A 70 -7.514 -12.744 -4.948 1.00 0.00 C ATOM 1022 O ARG A 70 -6.565 -11.968 -5.066 1.00 0.00 O ATOM 1023 CB ARG A 70 -9.835 -11.867 -4.630 1.00 0.00 C ATOM 1024 CG ARG A 70 -10.987 -11.555 -3.688 1.00 0.00 C ATOM 1025 CD ARG A 70 -12.297 -11.400 -4.443 1.00 0.00 C ATOM 1026 NE ARG A 70 -12.791 -12.677 -4.950 1.00 0.00 N ATOM 1027 CZ ARG A 70 -13.902 -12.803 -5.669 1.00 0.00 C ATOM 1028 NH1 ARG A 70 -14.629 -11.734 -5.963 1.00 0.00 N ATOM 1029 NH2 ARG A 70 -14.286 -13.999 -6.095 1.00 0.00 N ATOM 0 H ARG A 70 -7.557 -10.827 -3.193 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.907 -13.425 -3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.531 -10.950 -5.135 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.183 -12.555 -5.401 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.082 -12.353 -2.951 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.772 -10.638 -3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.045 -10.958 -3.785 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.156 -10.710 -5.275 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.254 -13.519 -4.741 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.336 -10.813 -5.637 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.481 -11.833 -6.515 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.729 -14.823 -5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.139 -14.094 -6.647 1.00 0.00 H new ATOM 1043 N ILE A 71 -7.644 -13.845 -5.680 1.00 0.00 N ATOM 1044 CA ILE A 71 -6.658 -14.213 -6.688 1.00 0.00 C ATOM 1045 C ILE A 71 -6.515 -13.121 -7.743 1.00 0.00 C ATOM 1046 O ILE A 71 -5.539 -13.092 -8.492 1.00 0.00 O ATOM 1047 CB ILE A 71 -7.029 -15.537 -7.382 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -7.213 -16.647 -6.346 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -5.960 -15.921 -8.395 1.00 0.00 C ATOM 1050 CD1 ILE A 71 -5.948 -16.982 -5.587 1.00 0.00 C ATOM 0 H ILE A 71 -8.423 -14.498 -5.594 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.708 -14.339 -6.168 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.972 -15.401 -7.912 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.984 -16.346 -5.636 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.574 -17.545 -6.848 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.236 -16.859 -8.877 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.874 -15.137 -9.148 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.004 -16.042 -7.886 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.154 -17.777 -4.870 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.181 -17.314 -6.287 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.597 -16.097 -5.057 1.00 0.00 H new ATOM 1062 N SER A 72 -7.494 -12.223 -7.793 1.00 0.00 N ATOM 1063 CA SER A 72 -7.479 -11.130 -8.757 1.00 0.00 C ATOM 1064 C SER A 72 -6.771 -9.907 -8.181 1.00 0.00 C ATOM 1065 O SER A 72 -6.364 -9.008 -8.917 1.00 0.00 O ATOM 1066 CB SER A 72 -8.907 -10.761 -9.164 1.00 0.00 C ATOM 1067 OG SER A 72 -9.614 -11.897 -9.632 1.00 0.00 O ATOM 0 H SER A 72 -8.307 -12.231 -7.177 1.00 0.00 H new ATOM 0 HA SER A 72 -6.932 -11.464 -9.639 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.431 -10.328 -8.312 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.881 -9.999 -9.943 1.00 0.00 H new ATOM 0 HG SER A 72 -10.524 -11.635 -9.884 1.00 0.00 H new ATOM 1073 N ASP A 73 -6.627 -9.882 -6.861 1.00 0.00 N ATOM 1074 CA ASP A 73 -5.967 -8.772 -6.185 1.00 0.00 C ATOM 1075 C ASP A 73 -4.515 -8.648 -6.634 1.00 0.00 C ATOM 1076 O ASP A 73 -3.965 -7.548 -6.699 1.00 0.00 O ATOM 1077 CB ASP A 73 -6.031 -8.960 -4.668 1.00 0.00 C ATOM 1078 CG ASP A 73 -7.409 -8.673 -4.106 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -8.383 -8.687 -4.888 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -7.514 -8.432 -2.885 1.00 0.00 O ATOM 0 H ASP A 73 -6.959 -10.618 -6.238 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.490 -7.854 -6.452 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.746 -9.982 -4.419 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.304 -8.302 -4.192 1.00 0.00 H new ATOM 1085 N THR A 74 -3.897 -9.784 -6.942 1.00 0.00 N ATOM 1086 CA THR A 74 -2.508 -9.803 -7.383 1.00 0.00 C ATOM 1087 C THR A 74 -2.254 -8.742 -8.448 1.00 0.00 C ATOM 1088 O THR A 74 -2.827 -8.791 -9.535 1.00 0.00 O ATOM 1089 CB THR A 74 -2.116 -11.183 -7.946 1.00 0.00 C ATOM 1090 OG1 THR A 74 -2.243 -12.181 -6.928 1.00 0.00 O ATOM 1091 CG2 THR A 74 -0.689 -11.167 -8.473 1.00 0.00 C ATOM 0 H THR A 74 -4.337 -10.703 -6.894 1.00 0.00 H new ATOM 0 HA THR A 74 -1.896 -9.588 -6.507 1.00 0.00 H new ATOM 0 HB THR A 74 -2.788 -11.419 -8.771 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.994 -13.055 -7.294 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.435 -12.152 -8.865 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.603 -10.426 -9.268 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.005 -10.911 -7.664 1.00 0.00 H new ATOM 1099 N GLY A 75 -1.390 -7.783 -8.127 1.00 0.00 N ATOM 1100 CA GLY A 75 -1.075 -6.724 -9.067 1.00 0.00 C ATOM 1101 C GLY A 75 0.194 -5.980 -8.700 1.00 0.00 C ATOM 1102 O GLY A 75 1.284 -6.553 -8.711 1.00 0.00 O ATOM 0 H GLY A 75 -0.903 -7.721 -7.233 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.967 -7.149 -10.065 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.906 -6.020 -9.108 1.00 0.00 H new ATOM 1106 N THR A 76 0.054 -4.699 -8.374 1.00 0.00 N ATOM 1107 CA THR A 76 1.198 -3.875 -8.005 1.00 0.00 C ATOM 1108 C THR A 76 0.750 -2.572 -7.354 1.00 0.00 C ATOM 1109 O THR A 76 0.020 -1.785 -7.957 1.00 0.00 O ATOM 1110 CB THR A 76 2.075 -3.550 -9.229 1.00 0.00 C ATOM 1111 OG1 THR A 76 2.559 -4.761 -9.820 1.00 0.00 O ATOM 1112 CG2 THR A 76 3.249 -2.667 -8.834 1.00 0.00 C ATOM 0 H THR A 76 -0.841 -4.210 -8.358 1.00 0.00 H new ATOM 0 HA THR A 76 1.785 -4.452 -7.290 1.00 0.00 H new ATOM 0 HB THR A 76 1.464 -3.012 -9.954 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.527 -5.483 -9.159 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.854 -2.451 -9.714 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.876 -1.734 -8.412 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.859 -3.183 -8.092 1.00 0.00 H new ATOM 1120 N TYR A 77 1.191 -2.349 -6.121 1.00 0.00 N ATOM 1121 CA TYR A 77 0.834 -1.141 -5.387 1.00 0.00 C ATOM 1122 C TYR A 77 1.902 -0.065 -5.557 1.00 0.00 C ATOM 1123 O TYR A 77 3.086 -0.366 -5.712 1.00 0.00 O ATOM 1124 CB TYR A 77 0.644 -1.458 -3.903 1.00 0.00 C ATOM 1125 CG TYR A 77 -0.468 -2.447 -3.632 1.00 0.00 C ATOM 1126 CD1 TYR A 77 -1.789 -2.135 -3.930 1.00 0.00 C ATOM 1127 CD2 TYR A 77 -0.197 -3.692 -3.079 1.00 0.00 C ATOM 1128 CE1 TYR A 77 -2.808 -3.036 -3.683 1.00 0.00 C ATOM 1129 CE2 TYR A 77 -1.209 -4.599 -2.831 1.00 0.00 C ATOM 1130 CZ TYR A 77 -2.512 -4.266 -3.134 1.00 0.00 C ATOM 1131 OH TYR A 77 -3.524 -5.166 -2.887 1.00 0.00 O ATOM 0 H TYR A 77 1.797 -2.990 -5.608 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.104 -0.763 -5.793 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.577 -1.855 -3.503 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.435 -0.533 -3.366 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.023 -1.173 -4.362 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.822 -3.955 -2.839 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.830 -2.778 -3.919 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.981 -5.564 -2.402 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.196 -5.872 -2.292 1.00 0.00 H new ATOM 1141 N THR A 78 1.475 1.194 -5.525 1.00 0.00 N ATOM 1142 CA THR A 78 2.392 2.316 -5.675 1.00 0.00 C ATOM 1143 C THR A 78 2.129 3.386 -4.622 1.00 0.00 C ATOM 1144 O THR A 78 1.181 4.165 -4.736 1.00 0.00 O ATOM 1145 CB THR A 78 2.280 2.950 -7.074 1.00 0.00 C ATOM 1146 OG1 THR A 78 2.491 1.955 -8.082 1.00 0.00 O ATOM 1147 CG2 THR A 78 3.293 4.073 -7.243 1.00 0.00 C ATOM 0 H THR A 78 0.499 1.461 -5.396 1.00 0.00 H new ATOM 0 HA THR A 78 3.399 1.920 -5.543 1.00 0.00 H new ATOM 0 HB THR A 78 1.278 3.367 -7.180 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.417 2.366 -8.968 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.194 4.505 -8.239 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.111 4.843 -6.494 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.300 3.676 -7.118 1.00 0.00 H new ATOM 1155 N CYS A 79 2.972 3.421 -3.596 1.00 0.00 N ATOM 1156 CA CYS A 79 2.831 4.396 -2.522 1.00 0.00 C ATOM 1157 C CYS A 79 3.360 5.761 -2.953 1.00 0.00 C ATOM 1158 O CYS A 79 4.556 5.927 -3.194 1.00 0.00 O ATOM 1159 CB CYS A 79 3.575 3.920 -1.272 1.00 0.00 C ATOM 1160 SG CYS A 79 3.072 4.767 0.260 1.00 0.00 S ATOM 0 H CYS A 79 3.761 2.784 -3.486 1.00 0.00 H new ATOM 0 HA CYS A 79 1.770 4.494 -2.291 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.414 2.849 -1.152 1.00 0.00 H new ATOM 0 HB3 CYS A 79 4.645 4.066 -1.421 1.00 0.00 H new ATOM 1165 N VAL A 80 2.461 6.735 -3.047 1.00 0.00 N ATOM 1166 CA VAL A 80 2.836 8.086 -3.448 1.00 0.00 C ATOM 1167 C VAL A 80 2.419 9.107 -2.396 1.00 0.00 C ATOM 1168 O VAL A 80 1.285 9.092 -1.917 1.00 0.00 O ATOM 1169 CB VAL A 80 2.201 8.467 -4.798 1.00 0.00 C ATOM 1170 CG1 VAL A 80 0.772 7.952 -4.881 1.00 0.00 C ATOM 1171 CG2 VAL A 80 2.246 9.974 -5.000 1.00 0.00 C ATOM 0 H VAL A 80 1.467 6.614 -2.851 1.00 0.00 H new ATOM 0 HA VAL A 80 3.921 8.096 -3.550 1.00 0.00 H new ATOM 0 HB VAL A 80 2.777 7.998 -5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.340 8.231 -5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.770 6.866 -4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.180 8.389 -4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.793 10.226 -5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.695 10.465 -4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.282 10.312 -4.988 1.00 0.00 H new ATOM 1181 N ALA A 81 3.342 9.994 -2.040 1.00 0.00 N ATOM 1182 CA ALA A 81 3.070 11.024 -1.047 1.00 0.00 C ATOM 1183 C ALA A 81 3.306 12.417 -1.621 1.00 0.00 C ATOM 1184 O ALA A 81 4.444 12.879 -1.711 1.00 0.00 O ATOM 1185 CB ALA A 81 3.932 10.808 0.188 1.00 0.00 C ATOM 0 H ALA A 81 4.286 10.019 -2.426 1.00 0.00 H new ATOM 0 HA ALA A 81 2.021 10.950 -0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.718 11.585 0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.712 9.831 0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.985 10.852 -0.091 1.00 0.00 H new ATOM 1191 N THR A 82 2.223 13.083 -2.010 1.00 0.00 N ATOM 1192 CA THR A 82 2.312 14.422 -2.578 1.00 0.00 C ATOM 1193 C THR A 82 2.338 15.483 -1.483 1.00 0.00 C ATOM 1194 O THR A 82 1.843 15.261 -0.378 1.00 0.00 O ATOM 1195 CB THR A 82 1.133 14.710 -3.527 1.00 0.00 C ATOM 1196 OG1 THR A 82 0.947 13.610 -4.424 1.00 0.00 O ATOM 1197 CG2 THR A 82 1.377 15.984 -4.322 1.00 0.00 C ATOM 0 H THR A 82 1.274 12.716 -1.942 1.00 0.00 H new ATOM 0 HA THR A 82 3.243 14.464 -3.144 1.00 0.00 H new ATOM 0 HB THR A 82 0.234 14.843 -2.925 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.483 13.753 -5.232 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.531 16.167 -4.985 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.489 16.824 -3.637 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.285 15.875 -4.914 1.00 0.00 H new ATOM 1205 N SER A 83 2.920 16.636 -1.797 1.00 0.00 N ATOM 1206 CA SER A 83 3.014 17.731 -0.838 1.00 0.00 C ATOM 1207 C SER A 83 3.581 18.984 -1.498 1.00 0.00 C ATOM 1208 O SER A 83 4.405 18.900 -2.409 1.00 0.00 O ATOM 1209 CB SER A 83 3.889 17.324 0.349 1.00 0.00 C ATOM 1210 OG SER A 83 5.265 17.429 0.027 1.00 0.00 O ATOM 0 H SER A 83 3.333 16.836 -2.708 1.00 0.00 H new ATOM 0 HA SER A 83 2.009 17.954 -0.479 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.663 17.959 1.206 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.658 16.300 0.641 1.00 0.00 H new ATOM 0 HG SER A 83 5.803 17.165 0.802 1.00 0.00 H new ATOM 1216 N SER A 84 3.135 20.145 -1.030 1.00 0.00 N ATOM 1217 CA SER A 84 3.595 21.417 -1.577 1.00 0.00 C ATOM 1218 C SER A 84 5.079 21.354 -1.924 1.00 0.00 C ATOM 1219 O SER A 84 5.505 21.852 -2.966 1.00 0.00 O ATOM 1220 CB SER A 84 3.341 22.547 -0.577 1.00 0.00 C ATOM 1221 OG SER A 84 3.148 23.783 -1.243 1.00 0.00 O ATOM 0 H SER A 84 2.456 20.232 -0.274 1.00 0.00 H new ATOM 0 HA SER A 84 3.034 21.616 -2.490 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.463 22.314 0.025 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.185 22.627 0.108 1.00 0.00 H new ATOM 0 HG SER A 84 2.986 24.489 -0.583 1.00 0.00 H new ATOM 1227 N SER A 85 5.861 20.737 -1.044 1.00 0.00 N ATOM 1228 CA SER A 85 7.298 20.611 -1.254 1.00 0.00 C ATOM 1229 C SER A 85 7.595 19.945 -2.595 1.00 0.00 C ATOM 1230 O SER A 85 8.170 20.560 -3.492 1.00 0.00 O ATOM 1231 CB SER A 85 7.933 19.805 -0.120 1.00 0.00 C ATOM 1232 OG SER A 85 7.610 20.360 1.143 1.00 0.00 O ATOM 0 H SER A 85 5.523 20.316 -0.178 1.00 0.00 H new ATOM 0 HA SER A 85 7.728 21.613 -1.262 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.588 18.772 -0.166 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.016 19.785 -0.246 1.00 0.00 H new ATOM 0 HG SER A 85 8.026 19.826 1.851 1.00 0.00 H new ATOM 1238 N GLY A 86 7.197 18.683 -2.722 1.00 0.00 N ATOM 1239 CA GLY A 86 7.428 17.953 -3.955 1.00 0.00 C ATOM 1240 C GLY A 86 6.485 16.777 -4.118 1.00 0.00 C ATOM 1241 O GLY A 86 5.277 16.912 -3.930 1.00 0.00 O ATOM 0 H GLY A 86 6.719 18.153 -1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.310 18.629 -4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.457 17.595 -3.974 1.00 0.00 H new ATOM 1245 N GLU A 87 7.039 15.622 -4.471 1.00 0.00 N ATOM 1246 CA GLU A 87 6.238 14.418 -4.662 1.00 0.00 C ATOM 1247 C GLU A 87 7.130 13.203 -4.901 1.00 0.00 C ATOM 1248 O GLU A 87 8.213 13.316 -5.478 1.00 0.00 O ATOM 1249 CB GLU A 87 5.278 14.599 -5.840 1.00 0.00 C ATOM 1250 CG GLU A 87 4.521 13.335 -6.208 1.00 0.00 C ATOM 1251 CD GLU A 87 3.364 13.601 -7.152 1.00 0.00 C ATOM 1252 OE1 GLU A 87 3.437 14.588 -7.914 1.00 0.00 O ATOM 1253 OE2 GLU A 87 2.388 12.824 -7.128 1.00 0.00 O ATOM 0 H GLU A 87 8.038 15.494 -4.631 1.00 0.00 H new ATOM 0 HA GLU A 87 5.660 14.249 -3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.562 15.384 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.842 14.940 -6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.208 12.627 -6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.143 12.865 -5.300 1.00 0.00 H new ATOM 1260 N THR A 88 6.668 12.040 -4.453 1.00 0.00 N ATOM 1261 CA THR A 88 7.423 10.804 -4.616 1.00 0.00 C ATOM 1262 C THR A 88 6.494 9.598 -4.688 1.00 0.00 C ATOM 1263 O THR A 88 5.342 9.662 -4.257 1.00 0.00 O ATOM 1264 CB THR A 88 8.422 10.600 -3.462 1.00 0.00 C ATOM 1265 OG1 THR A 88 9.296 9.505 -3.758 1.00 0.00 O ATOM 1266 CG2 THR A 88 7.691 10.332 -2.154 1.00 0.00 C ATOM 0 H THR A 88 5.774 11.928 -3.974 1.00 0.00 H new ATOM 0 HA THR A 88 7.974 10.891 -5.552 1.00 0.00 H new ATOM 0 HB THR A 88 9.008 11.513 -3.353 1.00 0.00 H new ATOM 0 HG1 THR A 88 9.929 9.383 -3.020 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.417 10.191 -1.354 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.048 11.180 -1.916 1.00 0.00 H new ATOM 0 HG23 THR A 88 7.083 9.433 -2.255 1.00 0.00 H new ATOM 1274 N SER A 89 7.001 8.498 -5.235 1.00 0.00 N ATOM 1275 CA SER A 89 6.214 7.277 -5.367 1.00 0.00 C ATOM 1276 C SER A 89 7.052 6.051 -5.016 1.00 0.00 C ATOM 1277 O SER A 89 8.281 6.115 -4.982 1.00 0.00 O ATOM 1278 CB SER A 89 5.670 7.146 -6.790 1.00 0.00 C ATOM 1279 OG SER A 89 6.722 6.995 -7.727 1.00 0.00 O ATOM 0 H SER A 89 7.953 8.427 -5.594 1.00 0.00 H new ATOM 0 HA SER A 89 5.378 7.336 -4.671 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.001 6.288 -6.849 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.080 8.028 -7.040 1.00 0.00 H new ATOM 0 HG SER A 89 6.347 6.912 -8.629 1.00 0.00 H new ATOM 1285 N TRP A 90 6.378 4.936 -4.757 1.00 0.00 N ATOM 1286 CA TRP A 90 7.059 3.694 -4.409 1.00 0.00 C ATOM 1287 C TRP A 90 6.565 2.541 -5.275 1.00 0.00 C ATOM 1288 O TRP A 90 5.521 2.640 -5.920 1.00 0.00 O ATOM 1289 CB TRP A 90 6.843 3.367 -2.930 1.00 0.00 C ATOM 1290 CG TRP A 90 7.951 2.553 -2.334 1.00 0.00 C ATOM 1291 CD1 TRP A 90 8.067 1.192 -2.347 1.00 0.00 C ATOM 1292 CD2 TRP A 90 9.099 3.049 -1.636 1.00 0.00 C ATOM 1293 NE1 TRP A 90 9.217 0.812 -1.698 1.00 0.00 N ATOM 1294 CE2 TRP A 90 9.868 1.932 -1.254 1.00 0.00 C ATOM 1295 CE3 TRP A 90 9.552 4.326 -1.298 1.00 0.00 C ATOM 1296 CZ2 TRP A 90 11.063 2.058 -0.550 1.00 0.00 C ATOM 1297 CZ3 TRP A 90 10.738 4.449 -0.600 1.00 0.00 C ATOM 1298 CH2 TRP A 90 11.483 3.321 -0.233 1.00 0.00 C ATOM 0 H TRP A 90 5.361 4.867 -4.781 1.00 0.00 H new ATOM 0 HA TRP A 90 8.125 3.830 -4.592 1.00 0.00 H new ATOM 0 HB2 TRP A 90 6.744 4.297 -2.370 1.00 0.00 H new ATOM 0 HB3 TRP A 90 5.903 2.826 -2.818 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.359 0.514 -2.801 1.00 0.00 H new ATOM 0 HE1 TRP A 90 9.534 -0.149 -1.568 1.00 0.00 H new ATOM 0 HE3 TRP A 90 8.985 5.202 -1.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 11.638 1.189 -0.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.097 5.432 -0.333 1.00 0.00 H new ATOM 0 HH2 TRP A 90 12.407 3.451 0.311 1.00 0.00 H new ATOM 1309 N SER A 91 7.322 1.448 -5.286 1.00 0.00 N ATOM 1310 CA SER A 91 6.962 0.277 -6.076 1.00 0.00 C ATOM 1311 C SER A 91 6.863 -0.964 -5.194 1.00 0.00 C ATOM 1312 O SER A 91 7.625 -1.123 -4.241 1.00 0.00 O ATOM 1313 CB SER A 91 7.990 0.048 -7.185 1.00 0.00 C ATOM 1314 OG SER A 91 9.233 -0.372 -6.650 1.00 0.00 O ATOM 0 H SER A 91 8.188 1.350 -4.757 1.00 0.00 H new ATOM 0 HA SER A 91 5.987 0.459 -6.527 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.617 -0.704 -7.881 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.127 0.968 -7.753 1.00 0.00 H new ATOM 0 HG SER A 91 9.872 -0.513 -7.379 1.00 0.00 H new ATOM 1320 N ALA A 92 5.920 -1.841 -5.521 1.00 0.00 N ATOM 1321 CA ALA A 92 5.722 -3.069 -4.761 1.00 0.00 C ATOM 1322 C ALA A 92 4.797 -4.030 -5.501 1.00 0.00 C ATOM 1323 O ALA A 92 3.873 -3.606 -6.196 1.00 0.00 O ATOM 1324 CB ALA A 92 5.164 -2.752 -3.382 1.00 0.00 C ATOM 0 H ALA A 92 5.281 -1.724 -6.307 1.00 0.00 H new ATOM 0 HA ALA A 92 6.690 -3.556 -4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.021 -3.678 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.863 -2.110 -2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.207 -2.240 -3.485 1.00 0.00 H new ATOM 1330 N VAL A 93 5.051 -5.325 -5.347 1.00 0.00 N ATOM 1331 CA VAL A 93 4.240 -6.346 -6.000 1.00 0.00 C ATOM 1332 C VAL A 93 3.631 -7.300 -4.979 1.00 0.00 C ATOM 1333 O VAL A 93 4.347 -7.967 -4.231 1.00 0.00 O ATOM 1334 CB VAL A 93 5.069 -7.157 -7.014 1.00 0.00 C ATOM 1335 CG1 VAL A 93 4.289 -8.374 -7.489 1.00 0.00 C ATOM 1336 CG2 VAL A 93 5.476 -6.282 -8.190 1.00 0.00 C ATOM 0 H VAL A 93 5.812 -5.692 -4.776 1.00 0.00 H new ATOM 0 HA VAL A 93 3.441 -5.826 -6.528 1.00 0.00 H new ATOM 0 HB VAL A 93 5.976 -7.506 -6.520 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.890 -8.935 -8.205 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.053 -9.010 -6.636 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.365 -8.050 -7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.061 -6.871 -8.896 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.583 -5.901 -8.686 1.00 0.00 H new ATOM 0 HG23 VAL A 93 6.076 -5.446 -7.831 1.00 0.00 H new ATOM 1346 N LEU A 94 2.304 -7.362 -4.954 1.00 0.00 N ATOM 1347 CA LEU A 94 1.597 -8.236 -4.024 1.00 0.00 C ATOM 1348 C LEU A 94 1.169 -9.529 -4.711 1.00 0.00 C ATOM 1349 O LEU A 94 0.397 -9.509 -5.670 1.00 0.00 O ATOM 1350 CB LEU A 94 0.372 -7.520 -3.452 1.00 0.00 C ATOM 1351 CG LEU A 94 -0.325 -8.215 -2.281 1.00 0.00 C ATOM 1352 CD1 LEU A 94 -0.810 -9.596 -2.693 1.00 0.00 C ATOM 1353 CD2 LEU A 94 0.610 -8.311 -1.084 1.00 0.00 C ATOM 0 H LEU A 94 1.696 -6.818 -5.567 1.00 0.00 H new ATOM 0 HA LEU A 94 2.277 -8.486 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.676 -6.524 -3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.354 -7.387 -4.254 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.191 -7.619 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.303 -10.076 -1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.515 -9.503 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.040 -10.201 -3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.097 -8.808 -0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.495 -8.884 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.908 -7.309 -0.774 1.00 0.00 H new ATOM 1365 N ASP A 95 1.675 -10.652 -4.213 1.00 0.00 N ATOM 1366 CA ASP A 95 1.343 -11.956 -4.777 1.00 0.00 C ATOM 1367 C ASP A 95 0.351 -12.697 -3.885 1.00 0.00 C ATOM 1368 O ASP A 95 0.667 -13.053 -2.750 1.00 0.00 O ATOM 1369 CB ASP A 95 2.609 -12.794 -4.959 1.00 0.00 C ATOM 1370 CG ASP A 95 3.274 -12.555 -6.300 1.00 0.00 C ATOM 1371 OD1 ASP A 95 3.113 -11.447 -6.853 1.00 0.00 O ATOM 1372 OD2 ASP A 95 3.956 -13.476 -6.796 1.00 0.00 O ATOM 0 H ASP A 95 2.316 -10.686 -3.420 1.00 0.00 H new ATOM 0 HA ASP A 95 0.880 -11.796 -5.751 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.314 -12.561 -4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.359 -13.851 -4.864 1.00 0.00 H new ATOM 1377 N VAL A 96 -0.851 -12.924 -4.407 1.00 0.00 N ATOM 1378 CA VAL A 96 -1.889 -13.622 -3.658 1.00 0.00 C ATOM 1379 C VAL A 96 -2.035 -15.063 -4.134 1.00 0.00 C ATOM 1380 O VAL A 96 -2.329 -15.316 -5.303 1.00 0.00 O ATOM 1381 CB VAL A 96 -3.249 -12.910 -3.788 1.00 0.00 C ATOM 1382 CG1 VAL A 96 -4.348 -13.734 -3.135 1.00 0.00 C ATOM 1383 CG2 VAL A 96 -3.181 -11.518 -3.178 1.00 0.00 C ATOM 0 H VAL A 96 -1.129 -12.635 -5.345 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.583 -13.617 -2.612 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.486 -12.807 -4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.301 -13.215 -3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.411 -14.707 -3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.121 -13.871 -2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.150 -11.029 -3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.921 -11.596 -2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.423 -10.931 -3.696 1.00 0.00 H new ATOM 1393 N THR A 97 -1.828 -16.006 -3.220 1.00 0.00 N ATOM 1394 CA THR A 97 -1.936 -17.422 -3.546 1.00 0.00 C ATOM 1395 C THR A 97 -3.104 -18.069 -2.810 1.00 0.00 C ATOM 1396 O THR A 97 -3.831 -17.401 -2.075 1.00 0.00 O ATOM 1397 CB THR A 97 -0.641 -18.179 -3.196 1.00 0.00 C ATOM 1398 OG1 THR A 97 -0.402 -18.115 -1.785 1.00 0.00 O ATOM 1399 CG2 THR A 97 0.547 -17.593 -3.943 1.00 0.00 C ATOM 0 H THR A 97 -1.585 -15.814 -2.248 1.00 0.00 H new ATOM 0 HA THR A 97 -2.107 -17.486 -4.621 1.00 0.00 H new ATOM 0 HB THR A 97 -0.762 -19.220 -3.497 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.542 -18.305 -1.604 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.450 -18.144 -3.680 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.375 -17.669 -5.017 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.668 -16.545 -3.669 1.00 0.00 H new ATOM 1407 N GLU A 98 -3.276 -19.371 -3.011 1.00 0.00 N ATOM 1408 CA GLU A 98 -4.357 -20.107 -2.365 1.00 0.00 C ATOM 1409 C GLU A 98 -3.865 -20.788 -1.090 1.00 0.00 C ATOM 1410 O GLU A 98 -4.662 -21.200 -0.247 1.00 0.00 O ATOM 1411 CB GLU A 98 -4.937 -21.150 -3.322 1.00 0.00 C ATOM 1412 CG GLU A 98 -5.691 -20.546 -4.495 1.00 0.00 C ATOM 1413 CD GLU A 98 -6.331 -21.597 -5.381 1.00 0.00 C ATOM 1414 OE1 GLU A 98 -5.590 -22.299 -6.100 1.00 0.00 O ATOM 1415 OE2 GLU A 98 -7.574 -21.718 -5.354 1.00 0.00 O ATOM 0 H GLU A 98 -2.681 -19.938 -3.615 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.138 -19.395 -2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.127 -21.772 -3.703 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.609 -21.806 -2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -6.463 -19.874 -4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.006 -19.943 -5.090 1.00 0.00 H new ATOM 1422 N SER A 99 -2.548 -20.903 -0.958 1.00 0.00 N ATOM 1423 CA SER A 99 -1.950 -21.538 0.210 1.00 0.00 C ATOM 1424 C SER A 99 -1.194 -20.518 1.056 1.00 0.00 C ATOM 1425 O SER A 99 -1.435 -20.389 2.255 1.00 0.00 O ATOM 1426 CB SER A 99 -1.003 -22.660 -0.222 1.00 0.00 C ATOM 1427 OG SER A 99 -1.715 -23.720 -0.836 1.00 0.00 O ATOM 0 H SER A 99 -1.875 -20.565 -1.645 1.00 0.00 H new ATOM 0 HA SER A 99 -2.753 -21.961 0.813 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.261 -22.266 -0.916 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.461 -23.036 0.645 1.00 0.00 H new ATOM 0 HG SER A 99 -1.087 -24.423 -1.104 1.00 0.00 H new ATOM 1433 N GLY A 100 -0.278 -19.793 0.420 1.00 0.00 N ATOM 1434 CA GLY A 100 0.500 -18.793 1.128 1.00 0.00 C ATOM 1435 C GLY A 100 1.020 -19.299 2.459 1.00 0.00 C ATOM 1436 O GLY A 100 0.991 -18.581 3.458 1.00 0.00 O ATOM 0 H GLY A 100 -0.061 -19.881 -0.573 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.341 -18.484 0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.115 -17.909 1.294 1.00 0.00 H new