USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 945 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 GLN : amide:sc= -2 K(o=-2,f=-11!) USER MOD Single : A 13 ASN : amide:sc= -9.88! C(o=-9.9!,f=-16!) USER MOD Single : A 15 ASN : amide:sc= -0.125 K(o=-0.13,f=-1.4!) USER MOD Single : A 16 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.2) USER MOD Single : A 21 THR OG1 : rot -120:sc= -2.35! USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 145:sc= 0.139 (180deg=-0.00773) USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= -0.255 (180deg=-1.44!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -1.05 K(o=-1,f=-5.1!) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 61 THR OG1 : rot 180:sc= -2.44! USER MOD Single : A 63 GLN :FLIP amide:sc= -13.3! C(o=-14!,f=-13!) USER MOD Single : A 64 HIS : no HD1:sc= -0.389 X(o=-0.39,f=-0.51) USER MOD Single : A 66 SER OG : rot 20:sc= 1.03 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.0609 F(o=-1.9,f=-0.061) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0722 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN :FLIP amide:sc= -5.64! C(o=-8!,f=-5.6!) USER MOD Single : A 105 MET CE :methyl -162:sc= -3.57! (180deg=-4.6!) USER MOD Single : A 106 SER OG : rot 180:sc= -0.0972 USER MOD Single : A 111 ASN : amide:sc= 0.315 X(o=0.32,f=0) USER MOD Single : A 119 ASN : amide:sc= -9.67! C(o=-9.7!,f=-13!) USER MOD Single : A 125 LYS NZ :NH3+ -121:sc= 0.549 (180deg=-0.689) USER MOD Single : A 127 LYS NZ :NH3+ -153:sc= -0.573 (180deg=-1.84!) USER MOD ----------------------------------------------------------------- ATOM 64 N LEU A 4 12.385 9.974 4.975 1.00 0.00 N ATOM 65 CA LEU A 4 11.898 8.669 5.502 1.00 0.00 C ATOM 66 C LEU A 4 11.041 7.976 4.439 1.00 0.00 C ATOM 67 O LEU A 4 10.105 8.544 3.913 1.00 0.00 O ATOM 68 CB LEU A 4 11.061 8.906 6.762 1.00 0.00 C ATOM 69 CG LEU A 4 10.525 7.569 7.276 1.00 0.00 C ATOM 70 CD1 LEU A 4 11.359 7.112 8.473 1.00 0.00 C ATOM 71 CD2 LEU A 4 9.068 7.739 7.708 1.00 0.00 C ATOM 0 HA LEU A 4 12.751 8.036 5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.668 9.386 7.530 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.234 9.581 6.541 1.00 0.00 H new ATOM 0 HG LEU A 4 10.587 6.823 6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 4 10.977 6.159 8.840 1.00 0.00 H new ATOM 0 HD12 LEU A 4 12.399 6.993 8.168 1.00 0.00 H new ATOM 0 HD13 LEU A 4 11.296 7.857 9.266 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.684 6.787 8.075 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.008 8.484 8.501 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.472 8.067 6.856 1.00 0.00 H new ATOM 83 N GLN A 5 11.357 6.751 4.122 1.00 0.00 N ATOM 84 CA GLN A 5 10.566 6.012 3.097 1.00 0.00 C ATOM 85 C GLN A 5 9.925 4.781 3.747 1.00 0.00 C ATOM 86 O GLN A 5 10.369 4.315 4.777 1.00 0.00 O ATOM 87 CB GLN A 5 11.495 5.567 1.961 1.00 0.00 C ATOM 88 CG GLN A 5 12.158 6.791 1.326 1.00 0.00 C ATOM 89 CD GLN A 5 13.679 6.660 1.436 1.00 0.00 C ATOM 90 OE1 GLN A 5 14.186 5.613 1.785 1.00 0.00 O ATOM 91 NE2 GLN A 5 14.434 7.686 1.150 1.00 0.00 N ATOM 0 H GLN A 5 12.132 6.228 4.530 1.00 0.00 H new ATOM 0 HA GLN A 5 9.787 6.660 2.695 1.00 0.00 H new ATOM 0 HB2 GLN A 5 12.256 4.888 2.346 1.00 0.00 H new ATOM 0 HB3 GLN A 5 10.928 5.018 1.209 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.864 6.876 0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 5 11.823 7.700 1.826 1.00 0.00 H new ATOM 0 HE21 GLN A 5 14.009 8.566 0.857 1.00 0.00 H new ATOM 0 HE22 GLN A 5 15.449 7.608 1.220 1.00 0.00 H new ATOM 100 N ILE A 6 8.889 4.247 3.155 1.00 0.00 N ATOM 101 CA ILE A 6 8.237 3.041 3.746 1.00 0.00 C ATOM 102 C ILE A 6 7.972 2.013 2.640 1.00 0.00 C ATOM 103 O ILE A 6 8.376 2.186 1.507 1.00 0.00 O ATOM 104 CB ILE A 6 6.922 3.450 4.448 1.00 0.00 C ATOM 105 CG1 ILE A 6 6.804 2.683 5.768 1.00 0.00 C ATOM 106 CG2 ILE A 6 5.700 3.133 3.573 1.00 0.00 C ATOM 107 CD1 ILE A 6 5.618 3.224 6.569 1.00 0.00 C ATOM 0 H ILE A 6 8.468 4.592 2.292 1.00 0.00 H new ATOM 0 HA ILE A 6 8.895 2.591 4.489 1.00 0.00 H new ATOM 0 HB ILE A 6 6.946 4.525 4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.669 1.619 5.572 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.723 2.787 6.344 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.791 3.432 4.095 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.775 3.679 2.632 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.666 2.063 3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.534 2.678 7.509 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.772 4.283 6.777 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.702 3.097 5.993 1.00 0.00 H new ATOM 119 N ALA A 7 7.296 0.946 2.960 1.00 0.00 N ATOM 120 CA ALA A 7 7.004 -0.086 1.928 1.00 0.00 C ATOM 121 C ALA A 7 5.563 -0.573 2.093 1.00 0.00 C ATOM 122 O ALA A 7 5.251 -1.322 2.997 1.00 0.00 O ATOM 123 CB ALA A 7 7.966 -1.264 2.097 1.00 0.00 C ATOM 0 H ALA A 7 6.933 0.744 3.892 1.00 0.00 H new ATOM 0 HA ALA A 7 7.131 0.344 0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.752 -2.020 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.992 -0.915 1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.840 -1.697 3.089 1.00 0.00 H new ATOM 129 N VAL A 8 4.683 -0.149 1.225 1.00 0.00 N ATOM 130 CA VAL A 8 3.257 -0.585 1.333 1.00 0.00 C ATOM 131 C VAL A 8 2.901 -1.471 0.140 1.00 0.00 C ATOM 132 O VAL A 8 3.307 -1.215 -0.975 1.00 0.00 O ATOM 133 CB VAL A 8 2.350 0.644 1.339 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.568 1.439 0.050 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.886 0.201 1.421 1.00 0.00 C ATOM 0 H VAL A 8 4.888 0.479 0.447 1.00 0.00 H new ATOM 0 HA VAL A 8 3.119 -1.147 2.257 1.00 0.00 H new ATOM 0 HB VAL A 8 2.588 1.268 2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.922 2.317 0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.610 1.755 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.328 0.812 -0.809 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.240 1.079 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.646 -0.422 0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.729 -0.369 2.337 1.00 0.00 H new ATOM 145 N GLY A 9 2.149 -2.516 0.364 1.00 0.00 N ATOM 146 CA GLY A 9 1.782 -3.418 -0.762 1.00 0.00 C ATOM 147 C GLY A 9 0.264 -3.508 -0.907 1.00 0.00 C ATOM 148 O GLY A 9 -0.445 -3.826 0.027 1.00 0.00 O ATOM 0 H GLY A 9 1.775 -2.782 1.275 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.220 -3.048 -1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.196 -4.411 -0.589 1.00 0.00 H new ATOM 152 N ILE A 10 -0.235 -3.245 -2.081 1.00 0.00 N ATOM 153 CA ILE A 10 -1.694 -3.328 -2.315 1.00 0.00 C ATOM 154 C ILE A 10 -1.974 -4.573 -3.154 1.00 0.00 C ATOM 155 O ILE A 10 -1.203 -4.925 -4.025 1.00 0.00 O ATOM 156 CB ILE A 10 -2.167 -2.097 -3.092 1.00 0.00 C ATOM 157 CG1 ILE A 10 -1.223 -0.913 -2.860 1.00 0.00 C ATOM 158 CG2 ILE A 10 -3.562 -1.717 -2.625 1.00 0.00 C ATOM 159 CD1 ILE A 10 -1.481 0.144 -3.935 1.00 0.00 C ATOM 0 H ILE A 10 0.316 -2.973 -2.895 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.218 -3.376 -1.360 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.175 -2.338 -4.155 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.385 -0.490 -1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.185 -1.245 -2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.904 -0.840 -3.175 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.245 -2.547 -2.805 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.540 -1.490 -1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.814 0.992 -3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.297 -0.286 -4.920 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.516 0.481 -3.873 1.00 0.00 H new ATOM 171 N ILE A 11 -3.066 -5.241 -2.919 1.00 0.00 N ATOM 172 CA ILE A 11 -3.362 -6.450 -3.736 1.00 0.00 C ATOM 173 C ILE A 11 -4.727 -6.288 -4.398 1.00 0.00 C ATOM 174 O ILE A 11 -5.572 -5.551 -3.935 1.00 0.00 O ATOM 175 CB ILE A 11 -3.370 -7.728 -2.882 1.00 0.00 C ATOM 176 CG1 ILE A 11 -2.875 -7.453 -1.447 1.00 0.00 C ATOM 177 CG2 ILE A 11 -2.490 -8.790 -3.549 1.00 0.00 C ATOM 178 CD1 ILE A 11 -1.366 -7.728 -1.310 1.00 0.00 C ATOM 0 H ILE A 11 -3.759 -5.008 -2.207 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.577 -6.547 -4.486 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.396 -8.089 -2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.083 -6.417 -1.181 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.426 -8.079 -0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.494 -9.697 -2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.879 -9.013 -4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.470 -8.416 -3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.050 -7.524 -0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.163 -8.771 -1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.815 -7.083 -1.995 1.00 0.00 H new ATOM 190 N ARG A 12 -4.944 -6.974 -5.483 1.00 0.00 N ATOM 191 CA ARG A 12 -6.256 -6.869 -6.193 1.00 0.00 C ATOM 192 C ARG A 12 -6.475 -8.122 -7.049 1.00 0.00 C ATOM 193 O ARG A 12 -5.646 -8.471 -7.861 1.00 0.00 O ATOM 194 CB ARG A 12 -6.239 -5.632 -7.093 1.00 0.00 C ATOM 195 CG ARG A 12 -7.646 -5.365 -7.629 1.00 0.00 C ATOM 196 CD ARG A 12 -7.815 -3.868 -7.889 1.00 0.00 C ATOM 197 NE ARG A 12 -8.003 -3.630 -9.350 1.00 0.00 N ATOM 198 CZ ARG A 12 -7.341 -4.342 -10.222 1.00 0.00 C ATOM 199 NH1 ARG A 12 -6.071 -4.113 -10.423 1.00 0.00 N ATOM 200 NH2 ARG A 12 -7.949 -5.285 -10.890 1.00 0.00 N ATOM 0 H ARG A 12 -4.269 -7.606 -5.914 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.063 -6.784 -5.466 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.883 -4.768 -6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.546 -5.782 -7.921 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.809 -5.926 -8.549 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.392 -5.707 -6.911 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.673 -3.487 -7.335 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.939 -3.326 -7.532 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.650 -2.909 -9.669 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.596 -3.378 -9.899 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.554 -4.669 -11.104 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.940 -5.465 -10.731 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.433 -5.842 -11.571 1.00 0.00 H new ATOM 214 N ASN A 13 -7.576 -8.810 -6.874 1.00 0.00 N ATOM 215 CA ASN A 13 -7.810 -10.043 -7.688 1.00 0.00 C ATOM 216 C ASN A 13 -9.298 -10.367 -7.782 1.00 0.00 C ATOM 217 O ASN A 13 -10.144 -9.581 -7.414 1.00 0.00 O ATOM 218 CB ASN A 13 -7.123 -11.232 -7.029 1.00 0.00 C ATOM 219 CG ASN A 13 -7.545 -11.322 -5.564 1.00 0.00 C ATOM 220 OD1 ASN A 13 -8.225 -10.450 -5.060 1.00 0.00 O ATOM 221 ND2 ASN A 13 -7.169 -12.348 -4.850 1.00 0.00 N ATOM 0 H ASN A 13 -8.315 -8.575 -6.211 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.409 -9.859 -8.685 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.387 -12.152 -7.551 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.041 -11.124 -7.100 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.446 -12.417 -3.871 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.598 -13.081 -5.271 1.00 0.00 H new ATOM 228 N GLU A 14 -9.606 -11.546 -8.269 1.00 0.00 N ATOM 229 CA GLU A 14 -11.023 -11.983 -8.394 1.00 0.00 C ATOM 230 C GLU A 14 -11.745 -11.123 -9.418 1.00 0.00 C ATOM 231 O GLU A 14 -11.889 -11.482 -10.570 1.00 0.00 O ATOM 232 CB GLU A 14 -11.721 -11.862 -7.035 1.00 0.00 C ATOM 233 CG GLU A 14 -11.573 -13.183 -6.275 1.00 0.00 C ATOM 234 CD GLU A 14 -12.866 -13.490 -5.515 1.00 0.00 C ATOM 235 OE1 GLU A 14 -13.528 -12.552 -5.106 1.00 0.00 O ATOM 236 OE2 GLU A 14 -13.171 -14.662 -5.355 1.00 0.00 O ATOM 0 H GLU A 14 -8.921 -12.231 -8.589 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.047 -13.022 -8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.284 -11.046 -6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.776 -11.625 -7.174 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.349 -13.991 -6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.737 -13.121 -5.579 1.00 0.00 H new ATOM 243 N ASN A 15 -12.205 -9.997 -8.995 1.00 0.00 N ATOM 244 CA ASN A 15 -12.938 -9.086 -9.915 1.00 0.00 C ATOM 245 C ASN A 15 -12.403 -7.672 -9.765 1.00 0.00 C ATOM 246 O ASN A 15 -11.919 -7.065 -10.698 1.00 0.00 O ATOM 247 CB ASN A 15 -14.418 -9.101 -9.550 1.00 0.00 C ATOM 248 CG ASN A 15 -15.245 -8.574 -10.725 1.00 0.00 C ATOM 249 OD1 ASN A 15 -14.925 -8.830 -11.870 1.00 0.00 O ATOM 250 ND2 ASN A 15 -16.300 -7.846 -10.489 1.00 0.00 N ATOM 0 H ASN A 15 -12.108 -9.655 -8.039 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.802 -9.418 -10.944 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -14.730 -10.115 -9.299 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -14.591 -8.486 -8.667 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.858 -7.490 -11.265 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.567 -7.632 -9.528 1.00 0.00 H new ATOM 257 N ASN A 16 -12.491 -7.155 -8.586 1.00 0.00 N ATOM 258 CA ASN A 16 -11.997 -5.783 -8.327 1.00 0.00 C ATOM 259 C ASN A 16 -11.872 -5.574 -6.824 1.00 0.00 C ATOM 260 O ASN A 16 -12.052 -4.485 -6.316 1.00 0.00 O ATOM 261 CB ASN A 16 -12.972 -4.761 -8.913 1.00 0.00 C ATOM 262 CG ASN A 16 -12.278 -3.404 -9.030 1.00 0.00 C ATOM 263 OD1 ASN A 16 -12.587 -2.486 -8.296 1.00 0.00 O ATOM 264 ND2 ASN A 16 -11.345 -3.236 -9.927 1.00 0.00 N ATOM 0 H ASN A 16 -12.890 -7.629 -7.775 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.023 -5.651 -8.797 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -13.316 -5.091 -9.893 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -13.853 -4.677 -8.277 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.875 -2.334 -10.012 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -11.085 -4.006 -10.543 1.00 0.00 H new ATOM 271 N GLU A 17 -11.553 -6.613 -6.110 1.00 0.00 N ATOM 272 CA GLU A 17 -11.400 -6.483 -4.636 1.00 0.00 C ATOM 273 C GLU A 17 -9.951 -6.114 -4.330 1.00 0.00 C ATOM 274 O GLU A 17 -9.048 -6.488 -5.048 1.00 0.00 O ATOM 275 CB GLU A 17 -11.745 -7.811 -3.958 1.00 0.00 C ATOM 276 CG GLU A 17 -12.989 -8.416 -4.613 1.00 0.00 C ATOM 277 CD GLU A 17 -13.935 -8.938 -3.530 1.00 0.00 C ATOM 278 OE1 GLU A 17 -13.488 -9.090 -2.404 1.00 0.00 O ATOM 279 OE2 GLU A 17 -15.089 -9.175 -3.844 1.00 0.00 O ATOM 0 H GLU A 17 -11.391 -7.549 -6.483 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.072 -5.711 -4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.906 -8.502 -4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.923 -7.652 -2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.494 -7.665 -5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.702 -9.227 -5.282 1.00 0.00 H new ATOM 286 N ILE A 18 -9.715 -5.380 -3.281 1.00 0.00 N ATOM 287 CA ILE A 18 -8.315 -4.990 -2.955 1.00 0.00 C ATOM 288 C ILE A 18 -8.034 -5.276 -1.482 1.00 0.00 C ATOM 289 O ILE A 18 -8.929 -5.302 -0.660 1.00 0.00 O ATOM 290 CB ILE A 18 -8.108 -3.494 -3.221 1.00 0.00 C ATOM 291 CG1 ILE A 18 -9.106 -3.002 -4.275 1.00 0.00 C ATOM 292 CG2 ILE A 18 -6.683 -3.253 -3.727 1.00 0.00 C ATOM 293 CD1 ILE A 18 -9.149 -1.473 -4.256 1.00 0.00 C ATOM 0 H ILE A 18 -10.426 -5.034 -2.637 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.635 -5.567 -3.582 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.267 -2.947 -2.292 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -8.813 -3.357 -5.263 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -10.097 -3.408 -4.071 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.539 -2.189 -3.915 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.968 -3.589 -2.976 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.526 -3.809 -4.651 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.858 -1.120 -5.005 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.462 -1.130 -3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.158 -1.078 -4.480 1.00 0.00 H new ATOM 305 N PHE A 19 -6.793 -5.478 -1.141 1.00 0.00 N ATOM 306 CA PHE A 19 -6.445 -5.745 0.282 1.00 0.00 C ATOM 307 C PHE A 19 -5.553 -4.614 0.791 1.00 0.00 C ATOM 308 O PHE A 19 -4.342 -4.713 0.783 1.00 0.00 O ATOM 309 CB PHE A 19 -5.696 -7.078 0.401 1.00 0.00 C ATOM 310 CG PHE A 19 -5.041 -7.161 1.763 1.00 0.00 C ATOM 311 CD1 PHE A 19 -5.797 -6.919 2.916 1.00 0.00 C ATOM 312 CD2 PHE A 19 -3.678 -7.472 1.873 1.00 0.00 C ATOM 313 CE1 PHE A 19 -5.194 -6.986 4.176 1.00 0.00 C ATOM 314 CE2 PHE A 19 -3.075 -7.537 3.135 1.00 0.00 C ATOM 315 CZ PHE A 19 -3.833 -7.295 4.286 1.00 0.00 C ATOM 0 H PHE A 19 -6.003 -5.470 -1.787 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.358 -5.800 0.875 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.387 -7.910 0.265 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.943 -7.157 -0.383 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.847 -6.680 2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.094 -7.661 0.985 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.779 -6.799 5.065 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.025 -7.774 3.220 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.368 -7.347 5.259 1.00 0.00 H new ATOM 325 N ILE A 20 -6.139 -3.543 1.235 1.00 0.00 N ATOM 326 CA ILE A 20 -5.333 -2.413 1.746 1.00 0.00 C ATOM 327 C ILE A 20 -5.465 -2.368 3.257 1.00 0.00 C ATOM 328 O ILE A 20 -5.692 -3.375 3.900 1.00 0.00 O ATOM 329 CB ILE A 20 -5.848 -1.110 1.139 1.00 0.00 C ATOM 330 CG1 ILE A 20 -6.398 -1.378 -0.262 1.00 0.00 C ATOM 331 CG2 ILE A 20 -4.699 -0.119 1.044 1.00 0.00 C ATOM 332 CD1 ILE A 20 -7.920 -1.471 -0.194 1.00 0.00 C ATOM 0 H ILE A 20 -7.149 -3.403 1.265 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.286 -2.542 1.473 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.640 -0.703 1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.100 -0.579 -0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.982 -2.305 -0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.059 0.815 0.611 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.300 0.073 2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.913 -0.533 0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.318 -1.662 -1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.205 -2.285 0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.325 -0.533 0.185 1.00 0.00 H new ATOM 344 N THR A 21 -5.328 -1.220 3.838 1.00 0.00 N ATOM 345 CA THR A 21 -5.450 -1.138 5.315 1.00 0.00 C ATOM 346 C THR A 21 -6.395 -0.002 5.699 1.00 0.00 C ATOM 347 O THR A 21 -6.538 0.971 4.984 1.00 0.00 O ATOM 348 CB THR A 21 -4.071 -0.908 5.928 1.00 0.00 C ATOM 349 OG1 THR A 21 -3.074 -1.123 4.940 1.00 0.00 O ATOM 350 CG2 THR A 21 -3.862 -1.884 7.085 1.00 0.00 C ATOM 0 H THR A 21 -5.138 -0.338 3.362 1.00 0.00 H new ATOM 0 HA THR A 21 -5.859 -2.074 5.696 1.00 0.00 H new ATOM 0 HB THR A 21 -4.001 0.115 6.298 1.00 0.00 H new ATOM 0 HG1 THR A 21 -2.478 -1.845 5.229 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.878 -1.722 7.525 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.629 -1.720 7.842 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.930 -2.907 6.715 1.00 0.00 H new ATOM 358 N ARG A 22 -7.055 -0.127 6.819 1.00 0.00 N ATOM 359 CA ARG A 22 -8.002 0.933 7.249 1.00 0.00 C ATOM 360 C ARG A 22 -7.735 1.306 8.706 1.00 0.00 C ATOM 361 O ARG A 22 -6.669 1.067 9.238 1.00 0.00 O ATOM 362 CB ARG A 22 -9.431 0.411 7.112 1.00 0.00 C ATOM 363 CG ARG A 22 -10.197 1.294 6.129 1.00 0.00 C ATOM 364 CD ARG A 22 -11.523 0.625 5.758 1.00 0.00 C ATOM 365 NE ARG A 22 -12.537 1.668 5.435 1.00 0.00 N ATOM 366 CZ ARG A 22 -13.621 1.342 4.785 1.00 0.00 C ATOM 367 NH1 ARG A 22 -14.104 0.136 4.889 1.00 0.00 N ATOM 368 NH2 ARG A 22 -14.220 2.222 4.030 1.00 0.00 N ATOM 0 H ARG A 22 -6.976 -0.921 7.454 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.868 1.816 6.624 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.422 -0.621 6.761 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.926 0.413 8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.384 2.272 6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.599 1.460 5.233 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.382 -0.036 4.903 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.873 0.007 6.584 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.384 2.635 5.721 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.635 -0.552 5.478 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.951 -0.120 4.381 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.841 3.165 3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.067 1.966 3.522 1.00 0.00 H new ATOM 492 N ASN A 31 -15.045 6.375 8.172 1.00 0.00 N ATOM 493 CA ASN A 31 -14.314 5.343 7.384 1.00 0.00 C ATOM 494 C ASN A 31 -13.157 6.004 6.635 1.00 0.00 C ATOM 495 O ASN A 31 -13.329 7.000 5.961 1.00 0.00 O ATOM 496 CB ASN A 31 -15.270 4.701 6.378 1.00 0.00 C ATOM 497 CG ASN A 31 -16.612 4.427 7.057 1.00 0.00 C ATOM 498 OD1 ASN A 31 -16.669 3.763 8.072 1.00 0.00 O ATOM 499 ND2 ASN A 31 -17.704 4.915 6.534 1.00 0.00 N ATOM 0 HA ASN A 31 -13.925 4.578 8.056 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.411 5.360 5.522 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.846 3.772 5.998 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.605 4.739 6.978 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.656 5.473 5.681 1.00 0.00 H new ATOM 506 N LYS A 32 -11.977 5.460 6.748 1.00 0.00 N ATOM 507 CA LYS A 32 -10.811 6.061 6.044 1.00 0.00 C ATOM 508 C LYS A 32 -9.821 4.955 5.667 1.00 0.00 C ATOM 509 O LYS A 32 -9.471 4.122 6.479 1.00 0.00 O ATOM 510 CB LYS A 32 -10.135 7.078 6.974 1.00 0.00 C ATOM 511 CG LYS A 32 -9.281 6.355 8.019 1.00 0.00 C ATOM 512 CD LYS A 32 -7.830 6.292 7.537 1.00 0.00 C ATOM 513 CE LYS A 32 -7.075 7.528 8.031 1.00 0.00 C ATOM 514 NZ LYS A 32 -5.701 7.133 8.448 1.00 0.00 N ATOM 0 H LYS A 32 -11.770 4.626 7.297 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.142 6.566 5.137 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.512 7.756 6.391 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.891 7.687 7.470 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.336 6.878 8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.665 5.348 8.184 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.351 5.387 7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.799 6.244 6.448 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.026 8.278 7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.605 7.981 8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.035 7.898 8.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.686 6.957 9.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.420 6.268 7.944 1.00 0.00 H new ATOM 528 N LEU A 33 -9.355 4.940 4.445 1.00 0.00 N ATOM 529 CA LEU A 33 -8.386 3.895 4.040 1.00 0.00 C ATOM 530 C LEU A 33 -6.989 4.441 4.229 1.00 0.00 C ATOM 531 O LEU A 33 -6.801 5.549 4.690 1.00 0.00 O ATOM 532 CB LEU A 33 -8.572 3.555 2.572 1.00 0.00 C ATOM 533 CG LEU A 33 -9.527 2.372 2.434 1.00 0.00 C ATOM 534 CD1 LEU A 33 -10.911 2.878 2.031 1.00 0.00 C ATOM 535 CD2 LEU A 33 -8.997 1.421 1.361 1.00 0.00 C ATOM 0 H LEU A 33 -9.607 5.607 3.716 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.543 3.001 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.967 4.418 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.610 3.313 2.120 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.599 1.846 3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.593 2.033 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.286 3.560 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.843 3.403 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.675 0.574 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.928 1.948 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.009 1.062 1.649 1.00 0.00 H new ATOM 547 N GLU A 34 -6.002 3.689 3.867 1.00 0.00 N ATOM 548 CA GLU A 34 -4.624 4.198 4.025 1.00 0.00 C ATOM 549 C GLU A 34 -3.640 3.382 3.195 1.00 0.00 C ATOM 550 O GLU A 34 -3.994 2.706 2.249 1.00 0.00 O ATOM 551 CB GLU A 34 -4.222 4.127 5.494 1.00 0.00 C ATOM 552 CG GLU A 34 -3.463 5.397 5.886 1.00 0.00 C ATOM 553 CD GLU A 34 -2.900 5.242 7.299 1.00 0.00 C ATOM 554 OE1 GLU A 34 -3.675 4.954 8.196 1.00 0.00 O ATOM 555 OE2 GLU A 34 -1.703 5.413 7.461 1.00 0.00 O ATOM 0 H GLU A 34 -6.086 2.752 3.472 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.598 5.231 3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.109 4.015 6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.597 3.251 5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.654 5.582 5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.129 6.259 5.841 1.00 0.00 H new ATOM 562 N PHE A 35 -2.399 3.452 3.573 1.00 0.00 N ATOM 563 CA PHE A 35 -1.326 2.699 2.864 1.00 0.00 C ATOM 564 C PHE A 35 -0.102 2.610 3.785 1.00 0.00 C ATOM 565 O PHE A 35 0.935 3.170 3.488 1.00 0.00 O ATOM 566 CB PHE A 35 -0.943 3.438 1.583 1.00 0.00 C ATOM 567 CG PHE A 35 -2.019 3.241 0.545 1.00 0.00 C ATOM 568 CD1 PHE A 35 -2.112 2.025 -0.142 1.00 0.00 C ATOM 569 CD2 PHE A 35 -2.918 4.276 0.263 1.00 0.00 C ATOM 570 CE1 PHE A 35 -3.103 1.845 -1.113 1.00 0.00 C ATOM 571 CE2 PHE A 35 -3.911 4.095 -0.706 1.00 0.00 C ATOM 572 CZ PHE A 35 -4.003 2.880 -1.395 1.00 0.00 C ATOM 0 H PHE A 35 -2.073 4.011 4.361 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.679 1.700 2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.812 4.500 1.789 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.011 3.067 1.208 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.419 1.226 0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.845 5.214 0.793 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.174 0.908 -1.645 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.606 4.893 -0.922 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.768 2.741 -2.144 1.00 0.00 H new ATOM 582 N PRO A 36 -0.265 1.923 4.887 1.00 0.00 N ATOM 583 CA PRO A 36 0.811 1.766 5.882 1.00 0.00 C ATOM 584 C PRO A 36 2.024 1.066 5.262 1.00 0.00 C ATOM 585 O PRO A 36 2.964 1.703 4.831 1.00 0.00 O ATOM 586 CB PRO A 36 0.194 0.911 6.999 1.00 0.00 C ATOM 587 CG PRO A 36 -1.261 0.573 6.584 1.00 0.00 C ATOM 588 CD PRO A 36 -1.529 1.245 5.227 1.00 0.00 C ATOM 0 HA PRO A 36 1.170 2.725 6.255 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.772 -0.002 7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.206 1.451 7.945 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.397 -0.506 6.510 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.966 0.932 7.334 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.801 0.511 4.469 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.353 1.955 5.293 1.00 0.00 H new ATOM 596 N GLY A 37 2.015 -0.235 5.218 1.00 0.00 N ATOM 597 CA GLY A 37 3.171 -0.969 4.632 1.00 0.00 C ATOM 598 C GLY A 37 3.992 -1.603 5.756 1.00 0.00 C ATOM 599 O GLY A 37 3.498 -2.401 6.523 1.00 0.00 O ATOM 0 H GLY A 37 1.257 -0.824 5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.817 -1.739 3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.793 -0.287 4.052 1.00 0.00 H new ATOM 603 N GLY A 38 5.241 -1.251 5.861 1.00 0.00 N ATOM 604 CA GLY A 38 6.090 -1.829 6.937 1.00 0.00 C ATOM 605 C GLY A 38 7.248 -0.876 7.211 1.00 0.00 C ATOM 606 O GLY A 38 7.237 -0.129 8.169 1.00 0.00 O ATOM 0 H GLY A 38 5.712 -0.586 5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.502 -1.979 7.842 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.468 -2.806 6.636 1.00 0.00 H new ATOM 610 N LYS A 39 8.240 -0.886 6.368 1.00 0.00 N ATOM 611 CA LYS A 39 9.397 0.027 6.566 1.00 0.00 C ATOM 612 C LYS A 39 10.438 -0.234 5.480 1.00 0.00 C ATOM 613 O LYS A 39 10.794 -1.362 5.203 1.00 0.00 O ATOM 614 CB LYS A 39 10.019 -0.222 7.942 1.00 0.00 C ATOM 615 CG LYS A 39 11.083 0.843 8.219 1.00 0.00 C ATOM 616 CD LYS A 39 10.854 1.446 9.607 1.00 0.00 C ATOM 617 CE LYS A 39 12.182 1.958 10.170 1.00 0.00 C ATOM 618 NZ LYS A 39 13.032 2.464 9.055 1.00 0.00 N ATOM 0 H LYS A 39 8.299 -1.489 5.548 1.00 0.00 H new ATOM 0 HA LYS A 39 9.058 1.061 6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.249 -0.191 8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.465 -1.216 7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.078 0.401 8.163 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.037 1.624 7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.135 2.263 9.546 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.429 0.696 10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.000 2.753 10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.698 1.157 10.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.737 3.130 9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.518 1.666 8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.435 2.950 8.356 1.00 0.00 H new ATOM 632 N ILE A 40 10.925 0.802 4.860 1.00 0.00 N ATOM 633 CA ILE A 40 11.940 0.621 3.788 1.00 0.00 C ATOM 634 C ILE A 40 13.232 1.336 4.199 1.00 0.00 C ATOM 635 O ILE A 40 13.250 2.529 4.425 1.00 0.00 O ATOM 636 CB ILE A 40 11.390 1.204 2.480 1.00 0.00 C ATOM 637 CG1 ILE A 40 12.155 0.627 1.290 1.00 0.00 C ATOM 638 CG2 ILE A 40 11.535 2.725 2.481 1.00 0.00 C ATOM 639 CD1 ILE A 40 11.389 0.944 0.006 1.00 0.00 C ATOM 0 H ILE A 40 10.663 1.769 5.050 1.00 0.00 H new ATOM 0 HA ILE A 40 12.156 -0.437 3.639 1.00 0.00 H new ATOM 0 HB ILE A 40 10.335 0.941 2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.158 1.052 1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.270 -0.451 1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.142 3.129 1.548 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.979 3.143 3.320 1.00 0.00 H new ATOM 0 HG23 ILE A 40 12.588 2.990 2.575 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.928 0.536 -0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.396 0.498 0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.297 2.024 -0.105 1.00 0.00 H new ATOM 651 N GLU A 41 14.312 0.614 4.312 1.00 0.00 N ATOM 652 CA GLU A 41 15.593 1.256 4.722 1.00 0.00 C ATOM 653 C GLU A 41 16.300 1.831 3.496 1.00 0.00 C ATOM 654 O GLU A 41 16.250 1.274 2.418 1.00 0.00 O ATOM 655 CB GLU A 41 16.491 0.216 5.391 1.00 0.00 C ATOM 656 CG GLU A 41 15.653 -0.635 6.347 1.00 0.00 C ATOM 657 CD GLU A 41 16.440 -1.886 6.743 1.00 0.00 C ATOM 658 OE1 GLU A 41 17.571 -1.738 7.176 1.00 0.00 O ATOM 659 OE2 GLU A 41 15.897 -2.971 6.609 1.00 0.00 O ATOM 0 H GLU A 41 14.364 -0.390 4.139 1.00 0.00 H new ATOM 0 HA GLU A 41 15.383 2.063 5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 41 16.958 -0.417 4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 41 17.296 0.710 5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.397 -0.057 7.235 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.715 -0.919 5.870 1.00 0.00 H new ATOM 666 N MET A 42 16.964 2.943 3.656 1.00 0.00 N ATOM 667 CA MET A 42 17.681 3.557 2.503 1.00 0.00 C ATOM 668 C MET A 42 19.004 2.823 2.278 1.00 0.00 C ATOM 669 O MET A 42 19.464 2.080 3.122 1.00 0.00 O ATOM 670 CB MET A 42 17.959 5.033 2.799 1.00 0.00 C ATOM 671 CG MET A 42 17.079 5.908 1.906 1.00 0.00 C ATOM 672 SD MET A 42 18.077 7.241 1.192 1.00 0.00 S ATOM 673 CE MET A 42 17.998 8.364 2.609 1.00 0.00 C ATOM 0 H MET A 42 17.041 3.453 4.536 1.00 0.00 H new ATOM 0 HA MET A 42 17.064 3.478 1.608 1.00 0.00 H new ATOM 0 HB2 MET A 42 17.758 5.248 3.848 1.00 0.00 H new ATOM 0 HB3 MET A 42 19.011 5.258 2.623 1.00 0.00 H new ATOM 0 HG2 MET A 42 16.636 5.306 1.112 1.00 0.00 H new ATOM 0 HG3 MET A 42 16.256 6.326 2.486 1.00 0.00 H new ATOM 0 HE1 MET A 42 18.558 9.272 2.385 1.00 0.00 H new ATOM 0 HE2 MET A 42 16.958 8.620 2.813 1.00 0.00 H new ATOM 0 HE3 MET A 42 18.430 7.877 3.483 1.00 0.00 H new ATOM 683 N GLY A 43 19.619 3.024 1.144 1.00 0.00 N ATOM 684 CA GLY A 43 20.911 2.334 0.862 1.00 0.00 C ATOM 685 C GLY A 43 20.635 1.016 0.145 1.00 0.00 C ATOM 686 O GLY A 43 21.507 0.428 -0.463 1.00 0.00 O ATOM 0 H GLY A 43 19.283 3.636 0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 43 21.548 2.969 0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 43 21.448 2.149 1.792 1.00 0.00 H new ATOM 690 N GLU A 44 19.422 0.555 0.211 1.00 0.00 N ATOM 691 CA GLU A 44 19.065 -0.722 -0.465 1.00 0.00 C ATOM 692 C GLU A 44 18.433 -0.402 -1.824 1.00 0.00 C ATOM 693 O GLU A 44 18.688 0.636 -2.401 1.00 0.00 O ATOM 694 CB GLU A 44 18.074 -1.491 0.414 1.00 0.00 C ATOM 695 CG GLU A 44 18.672 -2.849 0.780 1.00 0.00 C ATOM 696 CD GLU A 44 18.617 -3.043 2.297 1.00 0.00 C ATOM 697 OE1 GLU A 44 18.910 -2.096 3.007 1.00 0.00 O ATOM 698 OE2 GLU A 44 18.283 -4.137 2.723 1.00 0.00 O ATOM 0 H GLU A 44 18.655 1.010 0.707 1.00 0.00 H new ATOM 0 HA GLU A 44 19.954 -1.334 -0.618 1.00 0.00 H new ATOM 0 HB2 GLU A 44 17.854 -0.922 1.317 1.00 0.00 H new ATOM 0 HB3 GLU A 44 17.131 -1.627 -0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 44 18.121 -3.646 0.281 1.00 0.00 H new ATOM 0 HG3 GLU A 44 19.704 -2.909 0.433 1.00 0.00 H new ATOM 705 N THR A 45 17.604 -1.269 -2.342 1.00 0.00 N ATOM 706 CA THR A 45 16.967 -0.983 -3.649 1.00 0.00 C ATOM 707 C THR A 45 15.454 -1.012 -3.467 1.00 0.00 C ATOM 708 O THR A 45 14.967 -1.273 -2.384 1.00 0.00 O ATOM 709 CB THR A 45 17.392 -2.023 -4.688 1.00 0.00 C ATOM 710 OG1 THR A 45 18.337 -2.910 -4.110 1.00 0.00 O ATOM 711 CG2 THR A 45 18.018 -1.313 -5.891 1.00 0.00 C ATOM 0 H THR A 45 17.345 -2.158 -1.914 1.00 0.00 H new ATOM 0 HA THR A 45 17.281 -0.001 -4.004 1.00 0.00 H new ATOM 0 HB THR A 45 16.521 -2.590 -5.016 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.608 -3.577 -4.774 1.00 0.00 H new ATOM 0 HG21 THR A 45 18.321 -2.052 -6.632 1.00 0.00 H new ATOM 0 HG22 THR A 45 17.289 -0.634 -6.333 1.00 0.00 H new ATOM 0 HG23 THR A 45 18.890 -0.746 -5.566 1.00 0.00 H new ATOM 719 N PRO A 46 14.753 -0.716 -4.523 1.00 0.00 N ATOM 720 CA PRO A 46 13.288 -0.668 -4.496 1.00 0.00 C ATOM 721 C PRO A 46 12.692 -2.080 -4.518 1.00 0.00 C ATOM 722 O PRO A 46 11.498 -2.256 -4.381 1.00 0.00 O ATOM 723 CB PRO A 46 12.914 0.076 -5.784 1.00 0.00 C ATOM 724 CG PRO A 46 14.198 0.173 -6.652 1.00 0.00 C ATOM 725 CD PRO A 46 15.357 -0.391 -5.823 1.00 0.00 C ATOM 0 HA PRO A 46 12.910 -0.184 -3.596 1.00 0.00 H new ATOM 0 HB2 PRO A 46 12.127 -0.455 -6.320 1.00 0.00 H new ATOM 0 HB3 PRO A 46 12.529 1.070 -5.556 1.00 0.00 H new ATOM 0 HG2 PRO A 46 14.079 -0.390 -7.578 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.395 1.208 -6.932 1.00 0.00 H new ATOM 0 HD2 PRO A 46 15.788 -1.275 -6.293 1.00 0.00 H new ATOM 0 HD3 PRO A 46 16.161 0.338 -5.717 1.00 0.00 H new ATOM 733 N GLU A 47 13.500 -3.085 -4.707 1.00 0.00 N ATOM 734 CA GLU A 47 12.947 -4.466 -4.757 1.00 0.00 C ATOM 735 C GLU A 47 13.437 -5.285 -3.564 1.00 0.00 C ATOM 736 O GLU A 47 12.662 -5.722 -2.756 1.00 0.00 O ATOM 737 CB GLU A 47 13.395 -5.143 -6.049 1.00 0.00 C ATOM 738 CG GLU A 47 12.175 -5.427 -6.928 1.00 0.00 C ATOM 739 CD GLU A 47 11.938 -6.937 -7.007 1.00 0.00 C ATOM 740 OE1 GLU A 47 12.827 -7.679 -6.623 1.00 0.00 O ATOM 741 OE2 GLU A 47 10.871 -7.326 -7.453 1.00 0.00 O ATOM 0 H GLU A 47 14.510 -3.012 -4.828 1.00 0.00 H new ATOM 0 HA GLU A 47 11.859 -4.409 -4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.099 -4.504 -6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.917 -6.073 -5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.295 -4.932 -6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.332 -5.021 -7.927 1.00 0.00 H new ATOM 748 N GLN A 48 14.716 -5.497 -3.448 1.00 0.00 N ATOM 749 CA GLN A 48 15.252 -6.293 -2.320 1.00 0.00 C ATOM 750 C GLN A 48 14.496 -5.958 -1.066 1.00 0.00 C ATOM 751 O GLN A 48 14.257 -6.781 -0.205 1.00 0.00 O ATOM 752 CB GLN A 48 16.710 -5.919 -2.115 1.00 0.00 C ATOM 753 CG GLN A 48 17.463 -7.159 -1.707 1.00 0.00 C ATOM 754 CD GLN A 48 18.715 -6.776 -0.918 1.00 0.00 C ATOM 755 OE1 GLN A 48 18.750 -5.747 -0.272 1.00 0.00 O ATOM 756 NE2 GLN A 48 19.755 -7.565 -0.945 1.00 0.00 N ATOM 0 H GLN A 48 15.420 -5.146 -4.098 1.00 0.00 H new ATOM 0 HA GLN A 48 15.152 -7.356 -2.540 1.00 0.00 H new ATOM 0 HB2 GLN A 48 17.129 -5.505 -3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 48 16.801 -5.150 -1.348 1.00 0.00 H new ATOM 0 HG2 GLN A 48 16.823 -7.800 -1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 48 17.742 -7.732 -2.591 1.00 0.00 H new ATOM 0 HE21 GLN A 48 19.726 -8.429 -1.487 1.00 0.00 H new ATOM 0 HE22 GLN A 48 20.596 -7.318 -0.424 1.00 0.00 H new ATOM 765 N ALA A 49 14.154 -4.738 -0.965 1.00 0.00 N ATOM 766 CA ALA A 49 13.434 -4.261 0.228 1.00 0.00 C ATOM 767 C ALA A 49 12.093 -4.991 0.400 1.00 0.00 C ATOM 768 O ALA A 49 11.891 -5.723 1.349 1.00 0.00 O ATOM 769 CB ALA A 49 13.186 -2.756 0.105 1.00 0.00 C ATOM 0 H ALA A 49 14.342 -4.024 -1.669 1.00 0.00 H new ATOM 0 HA ALA A 49 14.048 -4.469 1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.653 -2.402 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.140 -2.235 0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.588 -2.557 -0.784 1.00 0.00 H new ATOM 775 N VAL A 50 11.170 -4.771 -0.493 1.00 0.00 N ATOM 776 CA VAL A 50 9.826 -5.418 -0.376 1.00 0.00 C ATOM 777 C VAL A 50 9.874 -6.852 -0.912 1.00 0.00 C ATOM 778 O VAL A 50 9.331 -7.766 -0.323 1.00 0.00 O ATOM 779 CB VAL A 50 8.820 -4.572 -1.162 1.00 0.00 C ATOM 780 CG1 VAL A 50 8.679 -5.082 -2.599 1.00 0.00 C ATOM 781 CG2 VAL A 50 7.460 -4.613 -0.473 1.00 0.00 C ATOM 0 H VAL A 50 11.286 -4.167 -1.306 1.00 0.00 H new ATOM 0 HA VAL A 50 9.523 -5.472 0.670 1.00 0.00 H new ATOM 0 HB VAL A 50 9.188 -3.546 -1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.959 -4.464 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.646 -5.030 -3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.332 -6.115 -2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.748 -4.009 -1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.106 -5.643 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.552 -4.216 0.538 1.00 0.00 H new ATOM 791 N VAL A 51 10.508 -7.042 -2.030 1.00 0.00 N ATOM 792 CA VAL A 51 10.612 -8.400 -2.628 1.00 0.00 C ATOM 793 C VAL A 51 10.849 -9.416 -1.512 1.00 0.00 C ATOM 794 O VAL A 51 10.219 -10.453 -1.450 1.00 0.00 O ATOM 795 CB VAL A 51 11.790 -8.420 -3.604 1.00 0.00 C ATOM 796 CG1 VAL A 51 13.113 -8.433 -2.835 1.00 0.00 C ATOM 797 CG2 VAL A 51 11.710 -9.672 -4.462 1.00 0.00 C ATOM 0 H VAL A 51 10.966 -6.304 -2.564 1.00 0.00 H new ATOM 0 HA VAL A 51 9.694 -8.652 -3.159 1.00 0.00 H new ATOM 0 HB VAL A 51 11.744 -7.529 -4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.944 -8.447 -3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.181 -7.541 -2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 51 13.158 -9.320 -2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.548 -9.690 -5.159 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.751 -10.554 -3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.774 -9.671 -5.020 1.00 0.00 H new ATOM 807 N ARG A 52 11.748 -9.109 -0.621 1.00 0.00 N ATOM 808 CA ARG A 52 12.040 -10.000 0.499 1.00 0.00 C ATOM 809 C ARG A 52 10.881 -9.908 1.494 1.00 0.00 C ATOM 810 O ARG A 52 10.489 -10.886 2.093 1.00 0.00 O ATOM 811 CB ARG A 52 13.359 -9.511 1.106 1.00 0.00 C ATOM 812 CG ARG A 52 13.240 -9.336 2.617 1.00 0.00 C ATOM 813 CD ARG A 52 14.595 -8.934 3.199 1.00 0.00 C ATOM 814 NE ARG A 52 15.044 -9.968 4.172 1.00 0.00 N ATOM 815 CZ ARG A 52 16.287 -9.997 4.569 1.00 0.00 C ATOM 816 NH1 ARG A 52 17.128 -9.083 4.166 1.00 0.00 N ATOM 817 NH2 ARG A 52 16.693 -10.943 5.373 1.00 0.00 N ATOM 0 H ARG A 52 12.299 -8.251 -0.636 1.00 0.00 H new ATOM 0 HA ARG A 52 12.142 -11.044 0.204 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.152 -10.224 0.881 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.643 -8.563 0.649 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.495 -8.575 2.847 1.00 0.00 H new ATOM 0 HG3 ARG A 52 12.898 -10.265 3.074 1.00 0.00 H new ATOM 0 HD2 ARG A 52 15.329 -8.828 2.400 1.00 0.00 H new ATOM 0 HD3 ARG A 52 14.518 -7.965 3.692 1.00 0.00 H new ATOM 0 HE ARG A 52 14.379 -10.655 4.529 1.00 0.00 H new ATOM 0 HH11 ARG A 52 16.814 -8.343 3.538 1.00 0.00 H new ATOM 0 HH12 ARG A 52 18.099 -9.109 4.479 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.039 -11.658 5.690 1.00 0.00 H new ATOM 0 HH22 ARG A 52 17.664 -10.966 5.684 1.00 0.00 H new ATOM 831 N GLU A 53 10.327 -8.735 1.674 1.00 0.00 N ATOM 832 CA GLU A 53 9.191 -8.597 2.624 1.00 0.00 C ATOM 833 C GLU A 53 7.974 -9.345 2.075 1.00 0.00 C ATOM 834 O GLU A 53 6.967 -9.477 2.743 1.00 0.00 O ATOM 835 CB GLU A 53 8.842 -7.117 2.801 1.00 0.00 C ATOM 836 CG GLU A 53 9.947 -6.420 3.598 1.00 0.00 C ATOM 837 CD GLU A 53 9.430 -6.074 4.996 1.00 0.00 C ATOM 838 OE1 GLU A 53 8.395 -6.599 5.370 1.00 0.00 O ATOM 839 OE2 GLU A 53 10.079 -5.290 5.668 1.00 0.00 O ATOM 0 H GLU A 53 10.613 -7.875 1.206 1.00 0.00 H new ATOM 0 HA GLU A 53 9.475 -9.018 3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.727 -6.641 1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.888 -7.017 3.319 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.820 -7.068 3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.265 -5.514 3.082 1.00 0.00 H new ATOM 846 N LEU A 54 8.049 -9.839 0.865 1.00 0.00 N ATOM 847 CA LEU A 54 6.883 -10.574 0.300 1.00 0.00 C ATOM 848 C LEU A 54 6.813 -11.972 0.911 1.00 0.00 C ATOM 849 O LEU A 54 5.807 -12.366 1.467 1.00 0.00 O ATOM 850 CB LEU A 54 7.002 -10.677 -1.224 1.00 0.00 C ATOM 851 CG LEU A 54 5.685 -10.216 -1.858 1.00 0.00 C ATOM 852 CD1 LEU A 54 5.714 -10.472 -3.365 1.00 0.00 C ATOM 853 CD2 LEU A 54 4.523 -10.993 -1.237 1.00 0.00 C ATOM 0 H LEU A 54 8.860 -9.765 0.251 1.00 0.00 H new ATOM 0 HA LEU A 54 5.972 -10.027 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.828 -10.061 -1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.222 -11.704 -1.516 1.00 0.00 H new ATOM 0 HG LEU A 54 5.555 -9.149 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.775 -10.142 -3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.540 -9.919 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.848 -11.538 -3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.585 -10.666 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.660 -12.059 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.494 -10.808 -0.163 1.00 0.00 H new ATOM 865 N GLN A 55 7.872 -12.725 0.822 1.00 0.00 N ATOM 866 CA GLN A 55 7.856 -14.093 1.409 1.00 0.00 C ATOM 867 C GLN A 55 8.091 -13.991 2.915 1.00 0.00 C ATOM 868 O GLN A 55 7.616 -14.802 3.685 1.00 0.00 O ATOM 869 CB GLN A 55 8.963 -14.938 0.772 1.00 0.00 C ATOM 870 CG GLN A 55 10.327 -14.387 1.192 1.00 0.00 C ATOM 871 CD GLN A 55 11.438 -15.197 0.520 1.00 0.00 C ATOM 872 OE1 GLN A 55 11.237 -16.337 0.150 1.00 0.00 O ATOM 873 NE2 GLN A 55 12.613 -14.654 0.348 1.00 0.00 N ATOM 0 H GLN A 55 8.745 -12.454 0.370 1.00 0.00 H new ATOM 0 HA GLN A 55 6.892 -14.564 1.218 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.867 -15.978 1.084 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.870 -14.921 -0.314 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.408 -13.337 0.911 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.432 -14.436 2.276 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.783 -13.697 0.658 1.00 0.00 H new ATOM 0 HE22 GLN A 55 13.361 -15.187 -0.096 1.00 0.00 H new ATOM 882 N GLU A 56 8.816 -12.993 3.345 1.00 0.00 N ATOM 883 CA GLU A 56 9.073 -12.831 4.805 1.00 0.00 C ATOM 884 C GLU A 56 7.877 -12.146 5.479 1.00 0.00 C ATOM 885 O GLU A 56 8.040 -11.369 6.399 1.00 0.00 O ATOM 886 CB GLU A 56 10.331 -11.983 5.009 1.00 0.00 C ATOM 887 CG GLU A 56 11.448 -12.501 4.102 1.00 0.00 C ATOM 888 CD GLU A 56 12.128 -13.698 4.766 1.00 0.00 C ATOM 889 OE1 GLU A 56 11.523 -14.283 5.649 1.00 0.00 O ATOM 890 OE2 GLU A 56 13.243 -14.010 4.380 1.00 0.00 O ATOM 0 H GLU A 56 9.241 -12.283 2.748 1.00 0.00 H new ATOM 0 HA GLU A 56 9.216 -13.814 5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.119 -10.938 4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.646 -12.025 6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.040 -12.792 3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.176 -11.712 3.917 1.00 0.00 H new ATOM 897 N GLU A 57 6.678 -12.421 5.037 1.00 0.00 N ATOM 898 CA GLU A 57 5.488 -11.780 5.663 1.00 0.00 C ATOM 899 C GLU A 57 4.279 -12.714 5.545 1.00 0.00 C ATOM 900 O GLU A 57 3.772 -13.208 6.531 1.00 0.00 O ATOM 901 CB GLU A 57 5.189 -10.458 4.955 1.00 0.00 C ATOM 902 CG GLU A 57 6.151 -9.379 5.460 1.00 0.00 C ATOM 903 CD GLU A 57 5.485 -8.006 5.352 1.00 0.00 C ATOM 904 OE1 GLU A 57 4.705 -7.677 6.230 1.00 0.00 O ATOM 905 OE2 GLU A 57 5.768 -7.307 4.393 1.00 0.00 O ATOM 0 H GLU A 57 6.473 -13.061 4.270 1.00 0.00 H new ATOM 0 HA GLU A 57 5.692 -11.588 6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.295 -10.579 3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.158 -10.158 5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.428 -9.580 6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.071 -9.395 4.875 1.00 0.00 H new ATOM 912 N VAL A 58 3.805 -12.956 4.349 1.00 0.00 N ATOM 913 CA VAL A 58 2.633 -13.845 4.187 1.00 0.00 C ATOM 914 C VAL A 58 2.992 -15.014 3.261 1.00 0.00 C ATOM 915 O VAL A 58 2.445 -16.094 3.367 1.00 0.00 O ATOM 916 CB VAL A 58 1.471 -13.025 3.623 1.00 0.00 C ATOM 917 CG1 VAL A 58 1.528 -12.937 2.096 1.00 0.00 C ATOM 918 CG2 VAL A 58 0.179 -13.679 4.031 1.00 0.00 C ATOM 0 H VAL A 58 4.184 -12.573 3.483 1.00 0.00 H new ATOM 0 HA VAL A 58 2.336 -14.263 5.149 1.00 0.00 H new ATOM 0 HB VAL A 58 1.540 -12.012 4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.686 -12.347 1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.461 -12.462 1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.477 -13.940 1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.660 -13.106 3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.144 -14.694 3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.116 -13.712 5.119 1.00 0.00 H new ATOM 928 N GLY A 59 3.929 -14.815 2.375 1.00 0.00 N ATOM 929 CA GLY A 59 4.350 -15.917 1.467 1.00 0.00 C ATOM 930 C GLY A 59 3.246 -16.260 0.460 1.00 0.00 C ATOM 931 O GLY A 59 2.659 -17.323 0.511 1.00 0.00 O ATOM 0 H GLY A 59 4.423 -13.932 2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.255 -15.626 0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.597 -16.801 2.055 1.00 0.00 H new ATOM 935 N ILE A 60 2.988 -15.391 -0.479 1.00 0.00 N ATOM 936 CA ILE A 60 1.953 -15.699 -1.514 1.00 0.00 C ATOM 937 C ILE A 60 2.676 -16.399 -2.672 1.00 0.00 C ATOM 938 O ILE A 60 3.888 -16.485 -2.673 1.00 0.00 O ATOM 939 CB ILE A 60 1.268 -14.409 -2.012 1.00 0.00 C ATOM 940 CG1 ILE A 60 1.822 -13.182 -1.272 1.00 0.00 C ATOM 941 CG2 ILE A 60 -0.235 -14.507 -1.742 1.00 0.00 C ATOM 942 CD1 ILE A 60 0.899 -11.980 -1.487 1.00 0.00 C ATOM 0 H ILE A 60 3.445 -14.484 -0.577 1.00 0.00 H new ATOM 0 HA ILE A 60 1.172 -16.334 -1.096 1.00 0.00 H new ATOM 0 HB ILE A 60 1.461 -14.299 -3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.909 -13.398 -0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.824 -12.951 -1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.727 -13.599 -2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.644 -15.368 -2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.406 -14.624 -0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.299 -11.115 -0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.834 -11.757 -2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.095 -12.211 -1.103 1.00 0.00 H new ATOM 954 N THR A 61 1.980 -16.918 -3.647 1.00 0.00 N ATOM 955 CA THR A 61 2.710 -17.614 -4.749 1.00 0.00 C ATOM 956 C THR A 61 2.370 -16.998 -6.119 1.00 0.00 C ATOM 957 O THR A 61 3.221 -16.367 -6.713 1.00 0.00 O ATOM 958 CB THR A 61 2.384 -19.105 -4.720 1.00 0.00 C ATOM 959 OG1 THR A 61 1.234 -19.323 -3.912 1.00 0.00 O ATOM 960 CG2 THR A 61 3.556 -19.872 -4.134 1.00 0.00 C ATOM 0 H THR A 61 0.964 -16.893 -3.730 1.00 0.00 H new ATOM 0 HA THR A 61 3.781 -17.485 -4.595 1.00 0.00 H new ATOM 0 HB THR A 61 2.192 -19.451 -5.736 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.023 -20.280 -3.894 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.321 -20.936 -4.114 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.442 -19.707 -4.747 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.748 -19.524 -3.119 1.00 0.00 H new ATOM 968 N PRO A 62 1.155 -17.196 -6.594 1.00 0.00 N ATOM 969 CA PRO A 62 0.720 -16.642 -7.900 1.00 0.00 C ATOM 970 C PRO A 62 0.448 -15.132 -7.802 1.00 0.00 C ATOM 971 O PRO A 62 -0.585 -14.661 -8.236 1.00 0.00 O ATOM 972 CB PRO A 62 -0.599 -17.358 -8.191 1.00 0.00 C ATOM 973 CG PRO A 62 -1.063 -18.002 -6.865 1.00 0.00 C ATOM 974 CD PRO A 62 0.126 -18.002 -5.909 1.00 0.00 C ATOM 0 HA PRO A 62 1.481 -16.785 -8.668 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.346 -16.656 -8.561 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -0.465 -18.116 -8.962 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.896 -17.443 -6.439 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.416 -19.019 -7.037 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.140 -17.568 -4.945 1.00 0.00 H new ATOM 0 HD3 PRO A 62 0.479 -19.015 -5.716 1.00 0.00 H new ATOM 982 N GLN A 63 1.341 -14.370 -7.243 1.00 0.00 N ATOM 983 CA GLN A 63 1.101 -12.915 -7.127 1.00 0.00 C ATOM 984 C GLN A 63 1.883 -12.191 -8.206 1.00 0.00 C ATOM 985 O GLN A 63 2.861 -11.523 -7.947 1.00 0.00 O ATOM 986 CB GLN A 63 1.535 -12.413 -5.750 1.00 0.00 C ATOM 987 CG GLN A 63 1.064 -10.966 -5.574 1.00 0.00 C ATOM 988 CD GLN A 63 1.385 -10.490 -4.159 1.00 0.00 C ATOM 989 OE1 GLN A 63 2.544 -10.774 -3.636 1.00 0.00 O flip ATOM 990 NE2 GLN A 63 0.572 -9.850 -3.522 1.00 0.00 N flip ATOM 0 H GLN A 63 2.229 -14.696 -6.861 1.00 0.00 H new ATOM 0 HA GLN A 63 0.036 -12.718 -7.250 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.111 -13.044 -4.969 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.619 -12.470 -5.653 1.00 0.00 H new ATOM 0 HG2 GLN A 63 1.554 -10.322 -6.305 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.008 -10.897 -5.757 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.335 -9.627 -3.931 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.797 -9.535 -2.578 1.00 0.00 H new ATOM 999 N HIS A 64 1.440 -12.314 -9.413 1.00 0.00 N ATOM 1000 CA HIS A 64 2.135 -11.622 -10.535 1.00 0.00 C ATOM 1001 C HIS A 64 1.986 -10.114 -10.334 1.00 0.00 C ATOM 1002 O HIS A 64 0.924 -9.561 -10.540 1.00 0.00 O ATOM 1003 CB HIS A 64 1.496 -12.028 -11.864 1.00 0.00 C ATOM 1004 CG HIS A 64 2.552 -12.081 -12.934 1.00 0.00 C ATOM 1005 ND1 HIS A 64 3.810 -12.613 -12.702 1.00 0.00 N ATOM 1006 CD2 HIS A 64 2.554 -11.668 -14.243 1.00 0.00 C ATOM 1007 CE1 HIS A 64 4.512 -12.509 -13.847 1.00 0.00 C ATOM 1008 NE2 HIS A 64 3.793 -11.940 -14.818 1.00 0.00 N ATOM 0 H HIS A 64 0.624 -12.864 -9.681 1.00 0.00 H new ATOM 0 HA HIS A 64 3.189 -11.898 -10.552 1.00 0.00 H new ATOM 0 HB2 HIS A 64 1.014 -13.001 -11.766 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.720 -11.314 -12.139 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.721 -11.203 -14.750 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.532 -12.845 -13.965 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.088 -11.746 -15.775 1.00 0.00 H new ATOM 1016 N PHE A 65 3.024 -9.438 -9.912 1.00 0.00 N ATOM 1017 CA PHE A 65 2.882 -7.971 -9.685 1.00 0.00 C ATOM 1018 C PHE A 65 3.923 -7.173 -10.454 1.00 0.00 C ATOM 1019 O PHE A 65 4.779 -7.697 -11.139 1.00 0.00 O ATOM 1020 CB PHE A 65 3.053 -7.644 -8.204 1.00 0.00 C ATOM 1021 CG PHE A 65 4.486 -7.886 -7.783 1.00 0.00 C ATOM 1022 CD1 PHE A 65 4.938 -9.188 -7.535 1.00 0.00 C ATOM 1023 CD2 PHE A 65 5.365 -6.803 -7.637 1.00 0.00 C ATOM 1024 CE1 PHE A 65 6.264 -9.407 -7.141 1.00 0.00 C ATOM 1025 CE2 PHE A 65 6.692 -7.024 -7.245 1.00 0.00 C ATOM 1026 CZ PHE A 65 7.140 -8.326 -6.996 1.00 0.00 C ATOM 0 H PHE A 65 3.946 -9.830 -9.718 1.00 0.00 H new ATOM 0 HA PHE A 65 1.886 -7.698 -10.034 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.781 -6.605 -8.019 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.381 -8.260 -7.607 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.264 -10.024 -7.648 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.019 -5.798 -7.827 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.611 -10.412 -6.949 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.369 -6.190 -7.135 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.162 -8.496 -6.692 1.00 0.00 H new ATOM 1036 N SER A 66 3.837 -5.888 -10.297 1.00 0.00 N ATOM 1037 CA SER A 66 4.787 -4.949 -10.951 1.00 0.00 C ATOM 1038 C SER A 66 4.683 -3.615 -10.216 1.00 0.00 C ATOM 1039 O SER A 66 3.597 -3.130 -9.971 1.00 0.00 O ATOM 1040 CB SER A 66 4.412 -4.759 -12.420 1.00 0.00 C ATOM 1041 OG SER A 66 4.911 -5.854 -13.176 1.00 0.00 O ATOM 0 H SER A 66 3.126 -5.433 -9.725 1.00 0.00 H new ATOM 0 HA SER A 66 5.803 -5.340 -10.908 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.329 -4.692 -12.525 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.827 -3.824 -12.795 1.00 0.00 H new ATOM 0 HG SER A 66 5.084 -6.612 -12.579 1.00 0.00 H new ATOM 1047 N LEU A 67 5.777 -3.018 -9.843 1.00 0.00 N ATOM 1048 CA LEU A 67 5.675 -1.727 -9.108 1.00 0.00 C ATOM 1049 C LEU A 67 4.728 -0.790 -9.850 1.00 0.00 C ATOM 1050 O LEU A 67 5.124 -0.078 -10.752 1.00 0.00 O ATOM 1051 CB LEU A 67 7.040 -1.054 -8.986 1.00 0.00 C ATOM 1052 CG LEU A 67 6.846 0.362 -8.427 1.00 0.00 C ATOM 1053 CD1 LEU A 67 6.326 0.283 -6.990 1.00 0.00 C ATOM 1054 CD2 LEU A 67 8.184 1.103 -8.442 1.00 0.00 C ATOM 0 H LEU A 67 6.723 -3.359 -10.011 1.00 0.00 H new ATOM 0 HA LEU A 67 5.296 -1.936 -8.108 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.689 -1.633 -8.329 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.528 -1.012 -9.960 1.00 0.00 H new ATOM 0 HG LEU A 67 6.124 0.897 -9.044 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.190 1.290 -6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.372 -0.244 -6.977 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.046 -0.254 -6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.047 2.109 -8.045 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.905 0.565 -7.826 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.555 1.164 -9.465 1.00 0.00 H new ATOM 1066 N PHE A 68 3.486 -0.775 -9.463 1.00 0.00 N ATOM 1067 CA PHE A 68 2.505 0.129 -10.120 1.00 0.00 C ATOM 1068 C PHE A 68 3.165 1.494 -10.318 1.00 0.00 C ATOM 1069 O PHE A 68 3.592 1.852 -11.398 1.00 0.00 O ATOM 1070 CB PHE A 68 1.284 0.253 -9.192 1.00 0.00 C ATOM 1071 CG PHE A 68 0.660 1.622 -9.294 1.00 0.00 C ATOM 1072 CD1 PHE A 68 0.076 2.040 -10.494 1.00 0.00 C ATOM 1073 CD2 PHE A 68 0.673 2.472 -8.185 1.00 0.00 C ATOM 1074 CE1 PHE A 68 -0.496 3.311 -10.583 1.00 0.00 C ATOM 1075 CE2 PHE A 68 0.102 3.741 -8.274 1.00 0.00 C ATOM 1076 CZ PHE A 68 -0.481 4.161 -9.471 1.00 0.00 C ATOM 0 H PHE A 68 3.105 -1.354 -8.715 1.00 0.00 H new ATOM 0 HA PHE A 68 2.190 -0.258 -11.089 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.547 -0.506 -9.453 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.586 0.064 -8.162 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.067 1.381 -11.350 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.125 2.146 -7.260 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.949 3.637 -11.508 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.111 4.399 -7.417 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.922 5.145 -9.539 1.00 0.00 H new ATOM 1086 N GLU A 69 3.250 2.243 -9.264 1.00 0.00 N ATOM 1087 CA GLU A 69 3.883 3.588 -9.332 1.00 0.00 C ATOM 1088 C GLU A 69 4.364 3.975 -7.933 1.00 0.00 C ATOM 1089 O GLU A 69 4.319 3.182 -7.014 1.00 0.00 O ATOM 1090 CB GLU A 69 2.864 4.614 -9.830 1.00 0.00 C ATOM 1091 CG GLU A 69 3.247 5.063 -11.241 1.00 0.00 C ATOM 1092 CD GLU A 69 4.684 5.587 -11.238 1.00 0.00 C ATOM 1093 OE1 GLU A 69 4.891 6.689 -10.759 1.00 0.00 O ATOM 1094 OE2 GLU A 69 5.554 4.876 -11.715 1.00 0.00 O ATOM 0 H GLU A 69 2.903 1.980 -8.342 1.00 0.00 H new ATOM 0 HA GLU A 69 4.727 3.566 -10.022 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.865 4.179 -9.833 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.836 5.472 -9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.154 4.229 -11.937 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.566 5.842 -11.584 1.00 0.00 H new ATOM 1101 N LYS A 70 4.833 5.180 -7.760 1.00 0.00 N ATOM 1102 CA LYS A 70 5.322 5.596 -6.416 1.00 0.00 C ATOM 1103 C LYS A 70 4.903 7.041 -6.135 1.00 0.00 C ATOM 1104 O LYS A 70 4.808 7.856 -7.032 1.00 0.00 O ATOM 1105 CB LYS A 70 6.847 5.490 -6.389 1.00 0.00 C ATOM 1106 CG LYS A 70 7.278 4.640 -5.193 1.00 0.00 C ATOM 1107 CD LYS A 70 8.766 4.303 -5.315 1.00 0.00 C ATOM 1108 CE LYS A 70 9.003 3.463 -6.572 1.00 0.00 C ATOM 1109 NZ LYS A 70 10.001 4.147 -7.444 1.00 0.00 N ATOM 0 H LYS A 70 4.899 5.892 -8.488 1.00 0.00 H new ATOM 0 HA LYS A 70 4.892 4.948 -5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.208 5.043 -7.315 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.290 6.484 -6.321 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.091 5.179 -4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.689 3.724 -5.154 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.354 5.220 -5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.099 3.756 -4.433 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.363 2.471 -6.298 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.066 3.324 -7.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.163 3.577 -8.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.640 5.084 -7.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.896 4.257 -6.926 1.00 0.00 H new ATOM 1123 N LEU A 71 4.651 7.368 -4.895 1.00 0.00 N ATOM 1124 CA LEU A 71 4.241 8.761 -4.562 1.00 0.00 C ATOM 1125 C LEU A 71 5.187 9.338 -3.511 1.00 0.00 C ATOM 1126 O LEU A 71 6.125 8.697 -3.081 1.00 0.00 O ATOM 1127 CB LEU A 71 2.819 8.758 -4.003 1.00 0.00 C ATOM 1128 CG LEU A 71 2.604 7.501 -3.160 1.00 0.00 C ATOM 1129 CD1 LEU A 71 3.585 7.498 -1.988 1.00 0.00 C ATOM 1130 CD2 LEU A 71 1.172 7.488 -2.624 1.00 0.00 C ATOM 0 H LEU A 71 4.712 6.731 -4.101 1.00 0.00 H new ATOM 0 HA LEU A 71 4.280 9.369 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.654 9.648 -3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.096 8.790 -4.818 1.00 0.00 H new ATOM 0 HG LEU A 71 2.772 6.617 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.431 6.602 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.606 7.509 -2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.418 8.381 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.017 6.592 -2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.006 8.372 -2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.471 7.491 -3.459 1.00 0.00 H new ATOM 1142 N GLU A 72 4.939 10.546 -3.091 1.00 0.00 N ATOM 1143 CA GLU A 72 5.815 11.173 -2.061 1.00 0.00 C ATOM 1144 C GLU A 72 5.074 12.340 -1.406 1.00 0.00 C ATOM 1145 O GLU A 72 4.294 13.024 -2.036 1.00 0.00 O ATOM 1146 CB GLU A 72 7.092 11.690 -2.723 1.00 0.00 C ATOM 1147 CG GLU A 72 6.724 12.632 -3.871 1.00 0.00 C ATOM 1148 CD GLU A 72 7.726 12.458 -5.013 1.00 0.00 C ATOM 1149 OE1 GLU A 72 7.489 11.612 -5.861 1.00 0.00 O ATOM 1150 OE2 GLU A 72 8.714 13.174 -5.023 1.00 0.00 O ATOM 0 H GLU A 72 4.167 11.128 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 72 6.073 10.433 -1.304 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.708 12.214 -1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.684 10.855 -3.098 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.715 12.418 -4.222 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.728 13.665 -3.524 1.00 0.00 H new ATOM 1157 N TYR A 73 5.316 12.578 -0.147 1.00 0.00 N ATOM 1158 CA TYR A 73 4.628 13.705 0.541 1.00 0.00 C ATOM 1159 C TYR A 73 5.666 14.567 1.260 1.00 0.00 C ATOM 1160 O TYR A 73 6.848 14.490 0.989 1.00 0.00 O ATOM 1161 CB TYR A 73 3.628 13.153 1.559 1.00 0.00 C ATOM 1162 CG TYR A 73 2.421 14.059 1.619 1.00 0.00 C ATOM 1163 CD1 TYR A 73 1.792 14.465 0.437 1.00 0.00 C ATOM 1164 CD2 TYR A 73 1.932 14.496 2.856 1.00 0.00 C ATOM 1165 CE1 TYR A 73 0.674 15.309 0.490 1.00 0.00 C ATOM 1166 CE2 TYR A 73 0.815 15.338 2.911 1.00 0.00 C ATOM 1167 CZ TYR A 73 0.186 15.745 1.729 1.00 0.00 C ATOM 1168 OH TYR A 73 -0.915 16.577 1.783 1.00 0.00 O ATOM 0 H TYR A 73 5.960 12.041 0.434 1.00 0.00 H new ATOM 0 HA TYR A 73 4.096 14.309 -0.194 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.326 12.144 1.278 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.094 13.084 2.542 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.168 14.128 -0.517 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.417 14.183 3.769 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.189 15.623 -0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.439 15.674 3.866 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.123 16.784 2.718 1.00 0.00 H new ATOM 1178 N GLU A 74 5.235 15.392 2.172 1.00 0.00 N ATOM 1179 CA GLU A 74 6.196 16.260 2.907 1.00 0.00 C ATOM 1180 C GLU A 74 5.576 16.683 4.232 1.00 0.00 C ATOM 1181 O GLU A 74 4.561 17.351 4.277 1.00 0.00 O ATOM 1182 CB GLU A 74 6.512 17.500 2.067 1.00 0.00 C ATOM 1183 CG GLU A 74 7.979 17.886 2.264 1.00 0.00 C ATOM 1184 CD GLU A 74 8.390 18.902 1.194 1.00 0.00 C ATOM 1185 OE1 GLU A 74 8.225 20.086 1.437 1.00 0.00 O ATOM 1186 OE2 GLU A 74 8.864 18.477 0.153 1.00 0.00 O ATOM 0 H GLU A 74 4.257 15.503 2.441 1.00 0.00 H new ATOM 0 HA GLU A 74 7.118 15.710 3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.315 17.299 1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.864 18.326 2.360 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.124 18.310 3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.611 17.000 2.200 1.00 0.00 H new ATOM 1193 N PHE A 75 6.183 16.296 5.314 1.00 0.00 N ATOM 1194 CA PHE A 75 5.650 16.665 6.641 1.00 0.00 C ATOM 1195 C PHE A 75 6.061 18.105 6.954 1.00 0.00 C ATOM 1196 O PHE A 75 6.859 18.683 6.243 1.00 0.00 O ATOM 1197 CB PHE A 75 6.240 15.705 7.672 1.00 0.00 C ATOM 1198 CG PHE A 75 5.267 14.576 7.922 1.00 0.00 C ATOM 1199 CD1 PHE A 75 3.917 14.856 8.165 1.00 0.00 C ATOM 1200 CD2 PHE A 75 5.712 13.249 7.899 1.00 0.00 C ATOM 1201 CE1 PHE A 75 3.013 13.811 8.387 1.00 0.00 C ATOM 1202 CE2 PHE A 75 4.807 12.203 8.119 1.00 0.00 C ATOM 1203 CZ PHE A 75 3.456 12.483 8.363 1.00 0.00 C ATOM 0 H PHE A 75 7.034 15.734 5.332 1.00 0.00 H new ATOM 0 HA PHE A 75 4.562 16.598 6.661 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.190 15.308 7.314 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.446 16.235 8.602 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.573 15.880 8.181 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.753 13.032 7.712 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.972 14.029 8.577 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.151 11.179 8.101 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.758 11.676 8.532 1.00 0.00 H new ATOM 1213 N PRO A 76 5.505 18.649 8.005 1.00 0.00 N ATOM 1214 CA PRO A 76 5.805 20.030 8.422 1.00 0.00 C ATOM 1215 C PRO A 76 7.307 20.244 8.665 1.00 0.00 C ATOM 1216 O PRO A 76 7.743 21.351 8.907 1.00 0.00 O ATOM 1217 CB PRO A 76 5.012 20.228 9.722 1.00 0.00 C ATOM 1218 CG PRO A 76 4.196 18.936 9.978 1.00 0.00 C ATOM 1219 CD PRO A 76 4.530 17.942 8.855 1.00 0.00 C ATOM 0 HA PRO A 76 5.529 20.747 7.649 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.687 20.426 10.555 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.349 21.089 9.638 1.00 0.00 H new ATOM 0 HG2 PRO A 76 4.446 18.512 10.951 1.00 0.00 H new ATOM 0 HG3 PRO A 76 3.128 19.154 9.990 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.950 17.019 9.255 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.638 17.668 8.291 1.00 0.00 H new ATOM 1227 N ASP A 77 8.106 19.213 8.611 1.00 0.00 N ATOM 1228 CA ASP A 77 9.561 19.415 8.848 1.00 0.00 C ATOM 1229 C ASP A 77 10.419 18.423 8.052 1.00 0.00 C ATOM 1230 O ASP A 77 11.609 18.620 7.903 1.00 0.00 O ATOM 1231 CB ASP A 77 9.859 19.255 10.340 1.00 0.00 C ATOM 1232 CG ASP A 77 10.672 20.455 10.831 1.00 0.00 C ATOM 1233 OD1 ASP A 77 11.879 20.437 10.660 1.00 0.00 O ATOM 1234 OD2 ASP A 77 10.073 21.371 11.373 1.00 0.00 O ATOM 0 H ASP A 77 7.819 18.254 8.416 1.00 0.00 H new ATOM 0 HA ASP A 77 9.815 20.420 8.511 1.00 0.00 H new ATOM 0 HB2 ASP A 77 8.928 19.179 10.901 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.412 18.332 10.514 1.00 0.00 H new ATOM 1239 N ARG A 78 9.861 17.354 7.562 1.00 0.00 N ATOM 1240 CA ARG A 78 10.682 16.377 6.822 1.00 0.00 C ATOM 1241 C ARG A 78 10.012 16.008 5.498 1.00 0.00 C ATOM 1242 O ARG A 78 8.965 16.515 5.151 1.00 0.00 O ATOM 1243 CB ARG A 78 10.825 15.125 7.676 1.00 0.00 C ATOM 1244 CG ARG A 78 9.617 14.963 8.604 1.00 0.00 C ATOM 1245 CD ARG A 78 9.901 13.863 9.628 1.00 0.00 C ATOM 1246 NE ARG A 78 8.821 12.838 9.569 1.00 0.00 N ATOM 1247 CZ ARG A 78 8.994 11.676 10.134 1.00 0.00 C ATOM 1248 NH1 ARG A 78 9.911 11.526 11.050 1.00 0.00 N ATOM 1249 NH2 ARG A 78 8.250 10.662 9.782 1.00 0.00 N ATOM 0 H ARG A 78 8.872 17.120 7.645 1.00 0.00 H new ATOM 0 HA ARG A 78 11.658 16.812 6.609 1.00 0.00 H new ATOM 0 HB2 ARG A 78 10.917 14.249 7.034 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.739 15.184 8.267 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.409 15.904 9.114 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.730 14.712 8.022 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.867 13.401 9.423 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.958 14.290 10.629 1.00 0.00 H new ATOM 0 HE ARG A 78 7.947 13.046 9.087 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.492 12.318 11.324 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.046 10.617 11.492 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.534 10.779 9.065 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.385 9.753 10.224 1.00 0.00 H new ATOM 1263 N HIS A 79 10.617 15.113 4.764 1.00 0.00 N ATOM 1264 CA HIS A 79 10.036 14.682 3.463 1.00 0.00 C ATOM 1265 C HIS A 79 9.804 13.170 3.505 1.00 0.00 C ATOM 1266 O HIS A 79 10.718 12.400 3.723 1.00 0.00 O ATOM 1267 CB HIS A 79 11.011 15.021 2.334 1.00 0.00 C ATOM 1268 CG HIS A 79 11.700 16.321 2.647 1.00 0.00 C ATOM 1269 ND1 HIS A 79 11.212 17.556 2.995 1.00 0.00 N flip ATOM 1270 CD2 HIS A 79 13.079 16.450 2.627 1.00 0.00 C flip ATOM 1271 CE1 HIS A 79 12.269 18.439 3.189 1.00 0.00 C flip ATOM 1272 NE2 HIS A 79 13.371 17.723 2.955 1.00 0.00 N flip ATOM 0 H HIS A 79 11.496 14.659 5.014 1.00 0.00 H new ATOM 0 HA HIS A 79 9.091 15.196 3.287 1.00 0.00 H new ATOM 0 HB2 HIS A 79 11.746 14.224 2.221 1.00 0.00 H new ATOM 0 HB3 HIS A 79 10.477 15.098 1.387 1.00 0.00 H new ATOM 0 HD2 HIS A 79 13.790 15.672 2.391 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.211 19.480 3.469 1.00 0.00 H new ATOM 0 HE2 HIS A 79 14.319 18.095 3.017 1.00 0.00 H new ATOM 1280 N ILE A 80 8.590 12.736 3.311 1.00 0.00 N ATOM 1281 CA ILE A 80 8.311 11.272 3.357 1.00 0.00 C ATOM 1282 C ILE A 80 8.181 10.726 1.934 1.00 0.00 C ATOM 1283 O ILE A 80 7.968 11.463 0.992 1.00 0.00 O ATOM 1284 CB ILE A 80 7.008 11.000 4.125 1.00 0.00 C ATOM 1285 CG1 ILE A 80 6.303 12.315 4.481 1.00 0.00 C ATOM 1286 CG2 ILE A 80 7.327 10.241 5.414 1.00 0.00 C ATOM 1287 CD1 ILE A 80 4.989 12.010 5.202 1.00 0.00 C ATOM 0 H ILE A 80 7.781 13.328 3.123 1.00 0.00 H new ATOM 0 HA ILE A 80 9.137 10.776 3.868 1.00 0.00 H new ATOM 0 HB ILE A 80 6.350 10.407 3.491 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.946 12.924 5.116 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.109 12.892 3.577 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.404 10.047 5.960 1.00 0.00 H new ATOM 0 HG22 ILE A 80 7.809 9.295 5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.996 10.840 6.033 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.488 12.944 5.455 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.346 11.418 4.551 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.196 11.450 6.114 1.00 0.00 H new ATOM 1299 N THR A 81 8.309 9.437 1.774 1.00 0.00 N ATOM 1300 CA THR A 81 8.196 8.835 0.415 1.00 0.00 C ATOM 1301 C THR A 81 7.701 7.392 0.539 1.00 0.00 C ATOM 1302 O THR A 81 8.435 6.504 0.924 1.00 0.00 O ATOM 1303 CB THR A 81 9.569 8.847 -0.259 1.00 0.00 C ATOM 1304 OG1 THR A 81 10.016 10.190 -0.388 1.00 0.00 O ATOM 1305 CG2 THR A 81 9.465 8.203 -1.640 1.00 0.00 C ATOM 0 H THR A 81 8.487 8.773 2.528 1.00 0.00 H new ATOM 0 HA THR A 81 7.491 9.411 -0.184 1.00 0.00 H new ATOM 0 HB THR A 81 10.280 8.284 0.346 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.896 10.202 -0.818 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.444 8.212 -2.120 1.00 0.00 H new ATOM 0 HG22 THR A 81 9.121 7.174 -1.537 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.756 8.763 -2.250 1.00 0.00 H new ATOM 1313 N LEU A 82 6.459 7.151 0.214 1.00 0.00 N ATOM 1314 CA LEU A 82 5.917 5.764 0.316 1.00 0.00 C ATOM 1315 C LEU A 82 6.223 4.992 -0.968 1.00 0.00 C ATOM 1316 O LEU A 82 6.312 5.558 -2.039 1.00 0.00 O ATOM 1317 CB LEU A 82 4.402 5.826 0.523 1.00 0.00 C ATOM 1318 CG LEU A 82 4.052 5.247 1.893 1.00 0.00 C ATOM 1319 CD1 LEU A 82 4.802 6.020 2.979 1.00 0.00 C ATOM 1320 CD2 LEU A 82 2.546 5.371 2.127 1.00 0.00 C ATOM 0 H LEU A 82 5.797 7.853 -0.117 1.00 0.00 H new ATOM 0 HA LEU A 82 6.383 5.256 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.056 6.857 0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.894 5.265 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 82 4.341 4.197 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.553 5.608 3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.876 5.934 2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.513 7.070 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.294 4.958 3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.258 6.422 2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.011 4.822 1.352 1.00 0.00 H new ATOM 1332 N TRP A 83 6.387 3.699 -0.869 1.00 0.00 N ATOM 1333 CA TRP A 83 6.686 2.888 -2.069 1.00 0.00 C ATOM 1334 C TRP A 83 5.451 2.023 -2.373 1.00 0.00 C ATOM 1335 O TRP A 83 5.041 1.203 -1.576 1.00 0.00 O ATOM 1336 CB TRP A 83 7.936 2.058 -1.748 1.00 0.00 C ATOM 1337 CG TRP A 83 7.821 0.671 -2.265 1.00 0.00 C ATOM 1338 CD1 TRP A 83 7.118 -0.302 -1.664 1.00 0.00 C ATOM 1339 CD2 TRP A 83 8.421 0.085 -3.452 1.00 0.00 C ATOM 1340 NE1 TRP A 83 7.241 -1.463 -2.408 1.00 0.00 N ATOM 1341 CE2 TRP A 83 8.035 -1.272 -3.524 1.00 0.00 C ATOM 1342 CE3 TRP A 83 9.252 0.594 -4.465 1.00 0.00 C ATOM 1343 CZ2 TRP A 83 8.460 -2.099 -4.566 1.00 0.00 C ATOM 1344 CZ3 TRP A 83 9.682 -0.233 -5.515 1.00 0.00 C ATOM 1345 CH2 TRP A 83 9.286 -1.576 -5.567 1.00 0.00 C ATOM 0 H TRP A 83 6.325 3.173 0.002 1.00 0.00 H new ATOM 0 HA TRP A 83 6.891 3.486 -2.957 1.00 0.00 H new ATOM 0 HB2 TRP A 83 8.813 2.537 -2.183 1.00 0.00 H new ATOM 0 HB3 TRP A 83 8.089 2.033 -0.669 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.550 -0.197 -0.751 1.00 0.00 H new ATOM 0 HE1 TRP A 83 6.800 -2.350 -2.163 1.00 0.00 H new ATOM 0 HE3 TRP A 83 9.562 1.628 -4.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 8.154 -3.134 -4.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 10.322 0.168 -6.287 1.00 0.00 H new ATOM 0 HH2 TRP A 83 9.618 -2.207 -6.379 1.00 0.00 H new ATOM 1356 N PHE A 84 4.828 2.245 -3.502 1.00 0.00 N ATOM 1357 CA PHE A 84 3.585 1.486 -3.849 1.00 0.00 C ATOM 1358 C PHE A 84 3.885 0.298 -4.769 1.00 0.00 C ATOM 1359 O PHE A 84 4.009 0.458 -5.966 1.00 0.00 O ATOM 1360 CB PHE A 84 2.635 2.426 -4.595 1.00 0.00 C ATOM 1361 CG PHE A 84 1.566 2.951 -3.668 1.00 0.00 C ATOM 1362 CD1 PHE A 84 1.914 3.743 -2.567 1.00 0.00 C ATOM 1363 CD2 PHE A 84 0.222 2.659 -3.924 1.00 0.00 C ATOM 1364 CE1 PHE A 84 0.915 4.245 -1.725 1.00 0.00 C ATOM 1365 CE2 PHE A 84 -0.775 3.158 -3.080 1.00 0.00 C ATOM 1366 CZ PHE A 84 -0.430 3.952 -1.982 1.00 0.00 C ATOM 0 H PHE A 84 5.127 2.923 -4.203 1.00 0.00 H new ATOM 0 HA PHE A 84 3.147 1.112 -2.924 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.197 3.258 -5.018 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.173 1.897 -5.429 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.952 3.966 -2.368 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.046 2.048 -4.774 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.181 4.858 -0.877 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.812 2.930 -3.276 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.201 4.339 -1.332 1.00 0.00 H new ATOM 1376 N TRP A 85 3.951 -0.897 -4.243 1.00 0.00 N ATOM 1377 CA TRP A 85 4.188 -2.074 -5.130 1.00 0.00 C ATOM 1378 C TRP A 85 2.870 -2.842 -5.271 1.00 0.00 C ATOM 1379 O TRP A 85 2.604 -3.800 -4.576 1.00 0.00 O ATOM 1380 CB TRP A 85 5.297 -2.969 -4.558 1.00 0.00 C ATOM 1381 CG TRP A 85 4.820 -3.717 -3.355 1.00 0.00 C ATOM 1382 CD1 TRP A 85 4.702 -3.203 -2.111 1.00 0.00 C ATOM 1383 CD2 TRP A 85 4.413 -5.113 -3.261 1.00 0.00 C ATOM 1384 NE1 TRP A 85 4.251 -4.195 -1.259 1.00 0.00 N ATOM 1385 CE2 TRP A 85 4.052 -5.389 -1.923 1.00 0.00 C ATOM 1386 CE3 TRP A 85 4.321 -6.152 -4.201 1.00 0.00 C ATOM 1387 CZ2 TRP A 85 3.616 -6.655 -1.529 1.00 0.00 C ATOM 1388 CZ3 TRP A 85 3.883 -7.427 -3.810 1.00 0.00 C ATOM 1389 CH2 TRP A 85 3.530 -7.678 -2.477 1.00 0.00 C ATOM 0 H TRP A 85 3.852 -1.108 -3.250 1.00 0.00 H new ATOM 0 HA TRP A 85 4.522 -1.742 -6.113 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.629 -3.674 -5.320 1.00 0.00 H new ATOM 0 HB3 TRP A 85 6.160 -2.358 -4.292 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.924 -2.184 -1.828 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.086 -4.061 -0.262 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.589 -5.969 -5.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 3.347 -6.842 -0.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.818 -8.219 -4.541 1.00 0.00 H new ATOM 0 HH2 TRP A 85 3.192 -8.661 -2.183 1.00 0.00 H new ATOM 1400 N LEU A 86 2.028 -2.393 -6.164 1.00 0.00 N ATOM 1401 CA LEU A 86 0.704 -3.047 -6.356 1.00 0.00 C ATOM 1402 C LEU A 86 0.850 -4.332 -7.170 1.00 0.00 C ATOM 1403 O LEU A 86 1.681 -4.435 -8.051 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.228 -2.082 -7.093 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.470 -2.831 -7.579 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -2.193 -3.448 -6.383 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -2.405 -1.852 -8.291 1.00 0.00 C ATOM 0 H LEU A 86 2.204 -1.594 -6.773 1.00 0.00 H new ATOM 0 HA LEU A 86 0.290 -3.299 -5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.520 -1.267 -6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.293 -1.634 -7.940 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.174 -3.620 -8.270 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.078 -3.982 -6.729 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.526 -4.143 -5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.492 -2.660 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.291 -2.383 -8.639 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.702 -1.064 -7.599 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.889 -1.411 -9.144 1.00 0.00 H new ATOM 1419 N VAL A 87 0.042 -5.314 -6.875 1.00 0.00 N ATOM 1420 CA VAL A 87 0.114 -6.591 -7.607 1.00 0.00 C ATOM 1421 C VAL A 87 -1.163 -6.785 -8.431 1.00 0.00 C ATOM 1422 O VAL A 87 -1.905 -5.853 -8.669 1.00 0.00 O ATOM 1423 CB VAL A 87 0.237 -7.706 -6.587 1.00 0.00 C ATOM 1424 CG1 VAL A 87 1.437 -7.444 -5.674 1.00 0.00 C ATOM 1425 CG2 VAL A 87 -1.034 -7.764 -5.746 1.00 0.00 C ATOM 0 H VAL A 87 -0.671 -5.276 -6.147 1.00 0.00 H new ATOM 0 HA VAL A 87 0.970 -6.596 -8.282 1.00 0.00 H new ATOM 0 HB VAL A 87 0.379 -8.654 -7.106 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.521 -8.248 -4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.347 -7.402 -6.272 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.299 -6.495 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.948 -8.565 -5.012 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.173 -6.813 -5.231 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.890 -7.955 -6.393 1.00 0.00 H new ATOM 1435 N GLU A 88 -1.428 -7.989 -8.868 1.00 0.00 N ATOM 1436 CA GLU A 88 -2.658 -8.225 -9.678 1.00 0.00 C ATOM 1437 C GLU A 88 -3.310 -9.569 -9.313 1.00 0.00 C ATOM 1438 O GLU A 88 -4.508 -9.722 -9.419 1.00 0.00 O ATOM 1439 CB GLU A 88 -2.293 -8.223 -11.163 1.00 0.00 C ATOM 1440 CG GLU A 88 -2.477 -6.816 -11.733 1.00 0.00 C ATOM 1441 CD GLU A 88 -1.380 -6.535 -12.760 1.00 0.00 C ATOM 1442 OE1 GLU A 88 -0.727 -7.479 -13.174 1.00 0.00 O ATOM 1443 OE2 GLU A 88 -1.211 -5.381 -13.116 1.00 0.00 O ATOM 0 H GLU A 88 -0.850 -8.813 -8.700 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.371 -7.428 -9.465 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.261 -8.548 -11.295 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.922 -8.931 -11.704 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.458 -6.726 -12.199 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.437 -6.079 -10.931 1.00 0.00 H new ATOM 1450 N ARG A 89 -2.545 -10.545 -8.891 1.00 0.00 N ATOM 1451 CA ARG A 89 -3.155 -11.863 -8.535 1.00 0.00 C ATOM 1452 C ARG A 89 -2.415 -12.459 -7.338 1.00 0.00 C ATOM 1453 O ARG A 89 -1.562 -11.820 -6.769 1.00 0.00 O ATOM 1454 CB ARG A 89 -3.032 -12.826 -9.721 1.00 0.00 C ATOM 1455 CG ARG A 89 -3.923 -12.353 -10.872 1.00 0.00 C ATOM 1456 CD ARG A 89 -3.111 -12.315 -12.168 1.00 0.00 C ATOM 1457 NE ARG A 89 -2.924 -13.702 -12.686 1.00 0.00 N ATOM 1458 CZ ARG A 89 -2.729 -14.692 -11.858 1.00 0.00 C ATOM 1459 NH1 ARG A 89 -3.748 -15.356 -11.383 1.00 0.00 N ATOM 1460 NH2 ARG A 89 -1.516 -15.017 -11.505 1.00 0.00 N ATOM 0 H ARG A 89 -1.533 -10.488 -8.778 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.206 -11.715 -8.288 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.995 -12.879 -10.051 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.321 -13.832 -9.415 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.775 -13.023 -10.985 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.323 -11.363 -10.652 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.624 -11.705 -12.912 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.142 -11.850 -11.988 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.949 -13.877 -13.691 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.696 -15.101 -11.659 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.596 -16.130 -10.736 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.720 -14.498 -11.876 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.363 -15.791 -10.858 1.00 0.00 H new ATOM 1474 N TRP A 90 -2.731 -13.686 -6.984 1.00 0.00 N ATOM 1475 CA TRP A 90 -2.039 -14.390 -5.849 1.00 0.00 C ATOM 1476 C TRP A 90 -2.933 -15.456 -5.246 1.00 0.00 C ATOM 1477 O TRP A 90 -4.135 -15.479 -5.418 1.00 0.00 O ATOM 1478 CB TRP A 90 -1.608 -13.459 -4.711 1.00 0.00 C ATOM 1479 CG TRP A 90 -2.781 -13.043 -3.875 1.00 0.00 C ATOM 1480 CD1 TRP A 90 -3.164 -13.671 -2.740 1.00 0.00 C ATOM 1481 CD2 TRP A 90 -3.717 -11.934 -4.060 1.00 0.00 C ATOM 1482 NE1 TRP A 90 -4.265 -13.024 -2.217 1.00 0.00 N ATOM 1483 CE2 TRP A 90 -4.645 -11.950 -2.991 1.00 0.00 C ATOM 1484 CE3 TRP A 90 -3.854 -10.926 -5.032 1.00 0.00 C ATOM 1485 CZ2 TRP A 90 -5.668 -11.007 -2.889 1.00 0.00 C ATOM 1486 CZ3 TRP A 90 -4.883 -9.977 -4.932 1.00 0.00 C ATOM 1487 CH2 TRP A 90 -5.787 -10.017 -3.863 1.00 0.00 C ATOM 0 H TRP A 90 -3.454 -14.241 -7.443 1.00 0.00 H new ATOM 0 HA TRP A 90 -1.145 -14.823 -6.298 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.872 -13.963 -4.084 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.122 -12.576 -5.125 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -2.685 -14.539 -2.312 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -4.740 -13.307 -1.360 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -3.163 -10.882 -5.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -6.362 -11.044 -2.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.979 -9.209 -5.686 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -6.575 -9.282 -3.793 1.00 0.00 H new ATOM 1498 N GLU A 91 -2.315 -16.330 -4.523 1.00 0.00 N ATOM 1499 CA GLU A 91 -3.040 -17.431 -3.849 1.00 0.00 C ATOM 1500 C GLU A 91 -2.700 -17.418 -2.358 1.00 0.00 C ATOM 1501 O GLU A 91 -1.755 -18.045 -1.924 1.00 0.00 O ATOM 1502 CB GLU A 91 -2.578 -18.747 -4.449 1.00 0.00 C ATOM 1503 CG GLU A 91 -3.346 -19.893 -3.803 1.00 0.00 C ATOM 1504 CD GLU A 91 -2.801 -21.229 -4.314 1.00 0.00 C ATOM 1505 OE1 GLU A 91 -2.570 -21.335 -5.507 1.00 0.00 O ATOM 1506 OE2 GLU A 91 -2.623 -22.122 -3.501 1.00 0.00 O ATOM 0 H GLU A 91 -1.307 -16.329 -4.365 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.115 -17.310 -3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.742 -18.746 -5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.507 -18.876 -4.290 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.252 -19.841 -2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.408 -19.809 -4.035 1.00 0.00 H new ATOM 1513 N GLY A 92 -3.455 -16.709 -1.568 1.00 0.00 N ATOM 1514 CA GLY A 92 -3.154 -16.666 -0.111 1.00 0.00 C ATOM 1515 C GLY A 92 -3.766 -15.406 0.500 1.00 0.00 C ATOM 1516 O GLY A 92 -4.680 -14.821 -0.042 1.00 0.00 O ATOM 0 H GLY A 92 -4.262 -16.161 -1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.555 -17.553 0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.076 -16.673 0.049 1.00 0.00 H new ATOM 1520 N GLU A 93 -3.257 -14.980 1.619 1.00 0.00 N ATOM 1521 CA GLU A 93 -3.780 -13.749 2.267 1.00 0.00 C ATOM 1522 C GLU A 93 -2.617 -12.765 2.396 1.00 0.00 C ATOM 1523 O GLU A 93 -2.026 -12.645 3.443 1.00 0.00 O ATOM 1524 CB GLU A 93 -4.325 -14.101 3.651 1.00 0.00 C ATOM 1525 CG GLU A 93 -5.784 -13.662 3.747 1.00 0.00 C ATOM 1526 CD GLU A 93 -5.853 -12.141 3.884 1.00 0.00 C ATOM 1527 OE1 GLU A 93 -4.952 -11.478 3.396 1.00 0.00 O ATOM 1528 OE2 GLU A 93 -6.807 -11.663 4.476 1.00 0.00 O ATOM 0 H GLU A 93 -2.493 -15.437 2.117 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.584 -13.308 1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.244 -15.174 3.824 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.734 -13.609 4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.330 -13.983 2.860 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.262 -14.137 4.604 1.00 0.00 H new ATOM 1535 N PRO A 94 -2.304 -12.118 1.302 1.00 0.00 N ATOM 1536 CA PRO A 94 -1.175 -11.175 1.221 1.00 0.00 C ATOM 1537 C PRO A 94 -1.037 -10.301 2.472 1.00 0.00 C ATOM 1538 O PRO A 94 -1.978 -10.081 3.210 1.00 0.00 O ATOM 1539 CB PRO A 94 -1.477 -10.333 -0.021 1.00 0.00 C ATOM 1540 CG PRO A 94 -2.599 -11.059 -0.810 1.00 0.00 C ATOM 1541 CD PRO A 94 -3.078 -12.241 0.052 1.00 0.00 C ATOM 0 HA PRO A 94 -0.222 -11.699 1.156 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -1.795 -9.330 0.263 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.584 -10.222 -0.637 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -3.424 -10.378 -1.019 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.225 -11.412 -1.771 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.150 -12.187 0.241 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.889 -13.195 -0.441 1.00 0.00 H new ATOM 1549 N TRP A 95 0.151 -9.795 2.695 1.00 0.00 N ATOM 1550 CA TRP A 95 0.407 -8.920 3.870 1.00 0.00 C ATOM 1551 C TRP A 95 0.360 -7.478 3.401 1.00 0.00 C ATOM 1552 O TRP A 95 -0.120 -7.179 2.326 1.00 0.00 O ATOM 1553 CB TRP A 95 1.807 -9.211 4.436 1.00 0.00 C ATOM 1554 CG TRP A 95 2.797 -9.252 3.311 1.00 0.00 C ATOM 1555 CD1 TRP A 95 3.211 -10.383 2.712 1.00 0.00 C ATOM 1556 CD2 TRP A 95 3.506 -8.156 2.644 1.00 0.00 C ATOM 1557 NE1 TRP A 95 4.096 -10.069 1.707 1.00 0.00 N ATOM 1558 CE2 TRP A 95 4.319 -8.709 1.624 1.00 0.00 C ATOM 1559 CE3 TRP A 95 3.522 -6.756 2.809 1.00 0.00 C ATOM 1560 CZ2 TRP A 95 5.113 -7.905 0.803 1.00 0.00 C ATOM 1561 CZ3 TRP A 95 4.328 -5.949 1.981 1.00 0.00 C ATOM 1562 CH2 TRP A 95 5.114 -6.525 0.983 1.00 0.00 C ATOM 0 H TRP A 95 0.964 -9.957 2.100 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.340 -9.103 4.642 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.088 -8.442 5.155 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.806 -10.161 4.970 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.898 -11.382 2.979 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.535 -10.758 1.096 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.913 -6.299 3.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.723 -8.352 0.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.337 -4.878 2.120 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.724 -5.899 0.349 1.00 0.00 H new ATOM 1573 N GLY A 96 0.874 -6.579 4.179 1.00 0.00 N ATOM 1574 CA GLY A 96 0.873 -5.166 3.748 1.00 0.00 C ATOM 1575 C GLY A 96 1.077 -4.257 4.959 1.00 0.00 C ATOM 1576 O GLY A 96 1.505 -3.127 4.839 1.00 0.00 O ATOM 0 H GLY A 96 1.293 -6.761 5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.665 -4.998 3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.070 -4.927 3.256 1.00 0.00 H new ATOM 1580 N LYS A 97 0.779 -4.749 6.126 1.00 0.00 N ATOM 1581 CA LYS A 97 0.954 -3.937 7.356 1.00 0.00 C ATOM 1582 C LYS A 97 1.355 -4.852 8.513 1.00 0.00 C ATOM 1583 O LYS A 97 1.134 -6.046 8.472 1.00 0.00 O ATOM 1584 CB LYS A 97 -0.363 -3.254 7.695 1.00 0.00 C ATOM 1585 CG LYS A 97 -0.243 -2.607 9.071 1.00 0.00 C ATOM 1586 CD LYS A 97 -1.334 -1.552 9.241 1.00 0.00 C ATOM 1587 CE LYS A 97 -1.654 -1.384 10.725 1.00 0.00 C ATOM 1588 NZ LYS A 97 -3.020 -0.807 10.875 1.00 0.00 N ATOM 0 H LYS A 97 0.418 -5.690 6.281 1.00 0.00 H new ATOM 0 HA LYS A 97 1.729 -3.188 7.194 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.602 -2.501 6.944 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.177 -3.979 7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.333 -3.365 9.849 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.740 -2.149 9.184 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.005 -0.602 8.819 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.230 -1.849 8.696 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.597 -2.347 11.232 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.918 -0.732 11.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.239 -0.692 11.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.059 0.120 10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.716 -1.446 10.440 1.00 0.00 H new ATOM 1602 N GLU A 98 1.932 -4.304 9.551 1.00 0.00 N ATOM 1603 CA GLU A 98 2.327 -5.152 10.712 1.00 0.00 C ATOM 1604 C GLU A 98 1.181 -6.112 11.026 1.00 0.00 C ATOM 1605 O GLU A 98 0.168 -5.727 11.575 1.00 0.00 O ATOM 1606 CB GLU A 98 2.606 -4.263 11.927 1.00 0.00 C ATOM 1607 CG GLU A 98 3.933 -4.673 12.570 1.00 0.00 C ATOM 1608 CD GLU A 98 4.949 -3.541 12.415 1.00 0.00 C ATOM 1609 OE1 GLU A 98 4.794 -2.535 13.090 1.00 0.00 O ATOM 1610 OE2 GLU A 98 5.865 -3.697 11.625 1.00 0.00 O ATOM 0 H GLU A 98 2.145 -3.311 9.644 1.00 0.00 H new ATOM 0 HA GLU A 98 3.229 -5.716 10.473 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.645 -3.217 11.623 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.796 -4.354 12.651 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.783 -4.898 13.626 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.311 -5.581 12.101 1.00 0.00 H new ATOM 1617 N GLY A 99 1.323 -7.354 10.659 1.00 0.00 N ATOM 1618 CA GLY A 99 0.231 -8.334 10.913 1.00 0.00 C ATOM 1619 C GLY A 99 -0.720 -8.318 9.715 1.00 0.00 C ATOM 1620 O GLY A 99 -0.294 -8.360 8.578 1.00 0.00 O ATOM 0 H GLY A 99 2.148 -7.733 10.194 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.643 -9.333 11.057 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.305 -8.076 11.826 1.00 0.00 H new ATOM 1624 N GLN A 100 -2.003 -8.257 9.949 1.00 0.00 N ATOM 1625 CA GLN A 100 -2.954 -8.239 8.816 1.00 0.00 C ATOM 1626 C GLN A 100 -4.220 -7.456 9.197 1.00 0.00 C ATOM 1627 O GLN A 100 -5.316 -7.964 9.064 1.00 0.00 O ATOM 1628 CB GLN A 100 -3.326 -9.676 8.480 1.00 0.00 C ATOM 1629 CG GLN A 100 -4.368 -9.674 7.374 1.00 0.00 C ATOM 1630 CD GLN A 100 -3.757 -10.253 6.097 1.00 0.00 C ATOM 1631 OE1 GLN A 100 -3.877 -11.526 5.849 1.00 0.00 O flip ATOM 1632 NE2 GLN A 100 -3.158 -9.539 5.320 1.00 0.00 N flip ATOM 0 H GLN A 100 -2.427 -8.219 10.876 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.492 -7.754 7.956 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -2.442 -10.229 8.163 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -3.717 -10.180 9.364 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.234 -10.263 7.675 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -4.720 -8.658 7.193 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.063 -8.542 5.513 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.749 -9.936 4.474 1.00 0.00 H new ATOM 1641 N PRO A 101 -4.040 -6.240 9.655 1.00 0.00 N ATOM 1642 CA PRO A 101 -5.170 -5.379 10.052 1.00 0.00 C ATOM 1643 C PRO A 101 -5.944 -4.921 8.818 1.00 0.00 C ATOM 1644 O PRO A 101 -7.053 -4.432 8.908 1.00 0.00 O ATOM 1645 CB PRO A 101 -4.517 -4.169 10.726 1.00 0.00 C ATOM 1646 CG PRO A 101 -3.002 -4.233 10.414 1.00 0.00 C ATOM 1647 CD PRO A 101 -2.710 -5.624 9.823 1.00 0.00 C ATOM 0 HA PRO A 101 -5.872 -5.898 10.705 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.948 -3.241 10.351 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.689 -4.189 11.802 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -2.722 -3.450 9.709 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -2.417 -4.070 11.319 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -2.184 -5.549 8.871 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -2.080 -6.214 10.489 1.00 0.00 H new ATOM 1655 N GLY A 102 -5.356 -5.057 7.669 1.00 0.00 N ATOM 1656 CA GLY A 102 -6.039 -4.613 6.422 1.00 0.00 C ATOM 1657 C GLY A 102 -7.300 -5.443 6.191 1.00 0.00 C ATOM 1658 O GLY A 102 -7.694 -6.236 7.022 1.00 0.00 O ATOM 0 H GLY A 102 -4.428 -5.458 7.535 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.298 -3.557 6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.365 -4.717 5.572 1.00 0.00 H new ATOM 1662 N GLU A 103 -7.944 -5.261 5.069 1.00 0.00 N ATOM 1663 CA GLU A 103 -9.184 -6.041 4.797 1.00 0.00 C ATOM 1664 C GLU A 103 -9.431 -6.110 3.289 1.00 0.00 C ATOM 1665 O GLU A 103 -8.791 -5.430 2.512 1.00 0.00 O ATOM 1666 CB GLU A 103 -10.372 -5.354 5.477 1.00 0.00 C ATOM 1667 CG GLU A 103 -10.363 -3.863 5.134 1.00 0.00 C ATOM 1668 CD GLU A 103 -9.689 -3.083 6.265 1.00 0.00 C ATOM 1669 OE1 GLU A 103 -8.470 -3.088 6.317 1.00 0.00 O ATOM 1670 OE2 GLU A 103 -10.403 -2.494 7.058 1.00 0.00 O ATOM 0 H GLU A 103 -7.667 -4.610 4.334 1.00 0.00 H new ATOM 0 HA GLU A 103 -9.070 -7.052 5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.306 -5.808 5.147 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.315 -5.490 6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.831 -3.698 4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.383 -3.506 4.989 1.00 0.00 H new ATOM 1677 N TRP A 104 -10.358 -6.929 2.871 1.00 0.00 N ATOM 1678 CA TRP A 104 -10.653 -7.045 1.415 1.00 0.00 C ATOM 1679 C TRP A 104 -11.890 -6.207 1.083 1.00 0.00 C ATOM 1680 O TRP A 104 -13.005 -6.582 1.391 1.00 0.00 O ATOM 1681 CB TRP A 104 -10.925 -8.510 1.064 1.00 0.00 C ATOM 1682 CG TRP A 104 -9.648 -9.284 1.102 1.00 0.00 C ATOM 1683 CD1 TRP A 104 -8.489 -8.847 1.644 1.00 0.00 C ATOM 1684 CD2 TRP A 104 -9.381 -10.621 0.588 1.00 0.00 C ATOM 1685 NE1 TRP A 104 -7.527 -9.830 1.495 1.00 0.00 N ATOM 1686 CE2 TRP A 104 -8.028 -10.943 0.849 1.00 0.00 C ATOM 1687 CE3 TRP A 104 -10.175 -11.575 -0.075 1.00 0.00 C ATOM 1688 CZ2 TRP A 104 -7.483 -12.170 0.466 1.00 0.00 C ATOM 1689 CZ3 TRP A 104 -9.630 -12.810 -0.460 1.00 0.00 C ATOM 1690 CH2 TRP A 104 -8.286 -13.106 -0.191 1.00 0.00 C ATOM 0 H TRP A 104 -10.924 -7.523 3.476 1.00 0.00 H new ATOM 0 HA TRP A 104 -9.800 -6.686 0.840 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -11.640 -8.936 1.768 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -11.374 -8.579 0.073 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -8.339 -7.887 2.116 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -6.565 -9.743 1.822 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -11.211 -11.356 -0.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -6.448 -12.394 0.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -10.249 -13.536 -0.966 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -7.872 -14.057 -0.491 1.00 0.00 H new ATOM 1701 N MET A 105 -11.706 -5.076 0.457 1.00 0.00 N ATOM 1702 CA MET A 105 -12.877 -4.221 0.111 1.00 0.00 C ATOM 1703 C MET A 105 -13.501 -4.714 -1.195 1.00 0.00 C ATOM 1704 O MET A 105 -12.893 -5.450 -1.946 1.00 0.00 O ATOM 1705 CB MET A 105 -12.418 -2.772 -0.062 1.00 0.00 C ATOM 1706 CG MET A 105 -13.066 -1.901 1.013 1.00 0.00 C ATOM 1707 SD MET A 105 -11.894 -0.629 1.544 1.00 0.00 S ATOM 1708 CE MET A 105 -10.554 -1.743 2.035 1.00 0.00 C ATOM 0 H MET A 105 -10.799 -4.708 0.171 1.00 0.00 H new ATOM 0 HA MET A 105 -13.615 -4.277 0.911 1.00 0.00 H new ATOM 0 HB2 MET A 105 -11.332 -2.712 0.012 1.00 0.00 H new ATOM 0 HB3 MET A 105 -12.691 -2.409 -1.053 1.00 0.00 H new ATOM 0 HG2 MET A 105 -13.972 -1.436 0.623 1.00 0.00 H new ATOM 0 HG3 MET A 105 -13.363 -2.515 1.863 1.00 0.00 H new ATOM 0 HE1 MET A 105 -9.858 -1.211 2.683 1.00 0.00 H new ATOM 0 HE2 MET A 105 -10.969 -2.597 2.571 1.00 0.00 H new ATOM 0 HE3 MET A 105 -10.028 -2.093 1.147 1.00 0.00 H new ATOM 1718 N SER A 106 -14.710 -4.310 -1.473 1.00 0.00 N ATOM 1719 CA SER A 106 -15.372 -4.750 -2.732 1.00 0.00 C ATOM 1720 C SER A 106 -15.912 -3.527 -3.473 1.00 0.00 C ATOM 1721 O SER A 106 -17.028 -3.098 -3.255 1.00 0.00 O ATOM 1722 CB SER A 106 -16.526 -5.697 -2.401 1.00 0.00 C ATOM 1723 OG SER A 106 -16.366 -6.904 -3.134 1.00 0.00 O ATOM 0 H SER A 106 -15.268 -3.694 -0.882 1.00 0.00 H new ATOM 0 HA SER A 106 -14.649 -5.269 -3.361 1.00 0.00 H new ATOM 0 HB2 SER A 106 -16.544 -5.907 -1.332 1.00 0.00 H new ATOM 0 HB3 SER A 106 -17.479 -5.230 -2.651 1.00 0.00 H new ATOM 0 HG SER A 106 -17.103 -7.515 -2.923 1.00 0.00 H new ATOM 1729 N LEU A 107 -15.130 -2.963 -4.349 1.00 0.00 N ATOM 1730 CA LEU A 107 -15.595 -1.770 -5.109 1.00 0.00 C ATOM 1731 C LEU A 107 -16.172 -0.734 -4.142 1.00 0.00 C ATOM 1732 O LEU A 107 -17.270 -0.245 -4.323 1.00 0.00 O ATOM 1733 CB LEU A 107 -16.669 -2.199 -6.105 1.00 0.00 C ATOM 1734 CG LEU A 107 -16.008 -2.916 -7.282 1.00 0.00 C ATOM 1735 CD1 LEU A 107 -16.750 -4.223 -7.563 1.00 0.00 C ATOM 1736 CD2 LEU A 107 -16.066 -2.022 -8.521 1.00 0.00 C ATOM 0 H LEU A 107 -14.186 -3.278 -4.572 1.00 0.00 H new ATOM 0 HA LEU A 107 -14.755 -1.327 -5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.389 -2.859 -5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -17.222 -1.329 -6.458 1.00 0.00 H new ATOM 0 HG LEU A 107 -14.968 -3.133 -7.038 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -16.280 -4.735 -8.402 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -16.710 -4.861 -6.680 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -17.790 -4.006 -7.807 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -15.595 -2.533 -9.361 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -17.106 -1.806 -8.765 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -15.539 -1.089 -8.322 1.00 0.00 H new ATOM 1748 N VAL A 108 -15.437 -0.388 -3.121 1.00 0.00 N ATOM 1749 CA VAL A 108 -15.935 0.624 -2.149 1.00 0.00 C ATOM 1750 C VAL A 108 -15.217 1.950 -2.401 1.00 0.00 C ATOM 1751 O VAL A 108 -15.058 2.761 -1.510 1.00 0.00 O ATOM 1752 CB VAL A 108 -15.652 0.149 -0.722 1.00 0.00 C ATOM 1753 CG1 VAL A 108 -16.248 1.143 0.277 1.00 0.00 C ATOM 1754 CG2 VAL A 108 -16.288 -1.227 -0.507 1.00 0.00 C ATOM 0 H VAL A 108 -14.511 -0.764 -2.918 1.00 0.00 H new ATOM 0 HA VAL A 108 -17.010 0.757 -2.274 1.00 0.00 H new ATOM 0 HB VAL A 108 -14.575 0.082 -0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -16.046 0.803 1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -15.798 2.124 0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -17.325 1.210 0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.087 -1.566 0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -17.365 -1.158 -0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -15.866 -1.938 -1.217 1.00 0.00 H new ATOM 1764 N GLY A 109 -14.777 2.172 -3.609 1.00 0.00 N ATOM 1765 CA GLY A 109 -14.062 3.438 -3.925 1.00 0.00 C ATOM 1766 C GLY A 109 -12.562 3.156 -4.036 1.00 0.00 C ATOM 1767 O GLY A 109 -11.759 3.708 -3.311 1.00 0.00 O ATOM 0 H GLY A 109 -14.883 1.528 -4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.435 3.857 -4.860 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -14.248 4.178 -3.147 1.00 0.00 H new ATOM 1771 N LEU A 110 -12.177 2.302 -4.945 1.00 0.00 N ATOM 1772 CA LEU A 110 -10.757 1.978 -5.120 1.00 0.00 C ATOM 1773 C LEU A 110 -10.019 3.240 -5.577 1.00 0.00 C ATOM 1774 O LEU A 110 -8.806 3.319 -5.554 1.00 0.00 O ATOM 1775 CB LEU A 110 -10.717 0.865 -6.168 1.00 0.00 C ATOM 1776 CG LEU A 110 -9.723 1.183 -7.278 1.00 0.00 C ATOM 1777 CD1 LEU A 110 -8.294 1.114 -6.731 1.00 0.00 C ATOM 1778 CD2 LEU A 110 -9.886 0.173 -8.413 1.00 0.00 C ATOM 0 H LEU A 110 -12.808 1.813 -5.579 1.00 0.00 H new ATOM 0 HA LEU A 110 -10.270 1.642 -4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -10.444 -0.076 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -11.711 0.729 -6.595 1.00 0.00 H new ATOM 0 HG LEU A 110 -9.914 2.188 -7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.588 1.342 -7.529 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.178 1.839 -5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.099 0.112 -6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -9.175 0.400 -9.207 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.699 -0.832 -8.035 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -10.901 0.229 -8.807 1.00 0.00 H new ATOM 1790 N ASN A 111 -10.752 4.227 -5.990 1.00 0.00 N ATOM 1791 CA ASN A 111 -10.122 5.486 -6.456 1.00 0.00 C ATOM 1792 C ASN A 111 -9.691 6.319 -5.246 1.00 0.00 C ATOM 1793 O ASN A 111 -9.826 5.901 -4.114 1.00 0.00 O ATOM 1794 CB ASN A 111 -11.144 6.264 -7.280 1.00 0.00 C ATOM 1795 CG ASN A 111 -10.897 6.015 -8.768 1.00 0.00 C ATOM 1796 OD1 ASN A 111 -10.896 6.937 -9.559 1.00 0.00 O ATOM 1797 ND2 ASN A 111 -10.687 4.797 -9.182 1.00 0.00 N ATOM 0 H ASN A 111 -11.771 4.216 -6.025 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.245 5.265 -7.065 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -12.154 5.955 -7.012 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -11.068 7.329 -7.061 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -10.521 4.616 -10.172 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -10.688 4.025 -8.516 1.00 0.00 H new ATOM 1804 N ALA A 112 -9.163 7.490 -5.475 1.00 0.00 N ATOM 1805 CA ALA A 112 -8.717 8.341 -4.335 1.00 0.00 C ATOM 1806 C ALA A 112 -9.920 8.696 -3.453 1.00 0.00 C ATOM 1807 O ALA A 112 -9.771 9.200 -2.357 1.00 0.00 O ATOM 1808 CB ALA A 112 -8.089 9.629 -4.873 1.00 0.00 C ATOM 0 H ALA A 112 -9.021 7.894 -6.401 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.982 7.793 -3.745 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.763 10.251 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.231 9.382 -5.498 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.825 10.173 -5.465 1.00 0.00 H new ATOM 1814 N ASP A 113 -11.111 8.443 -3.926 1.00 0.00 N ATOM 1815 CA ASP A 113 -12.324 8.773 -3.125 1.00 0.00 C ATOM 1816 C ASP A 113 -12.295 8.011 -1.803 1.00 0.00 C ATOM 1817 O ASP A 113 -12.425 8.585 -0.740 1.00 0.00 O ATOM 1818 CB ASP A 113 -13.570 8.370 -3.908 1.00 0.00 C ATOM 1819 CG ASP A 113 -14.793 9.076 -3.321 1.00 0.00 C ATOM 1820 OD1 ASP A 113 -14.897 9.127 -2.106 1.00 0.00 O ATOM 1821 OD2 ASP A 113 -15.606 9.553 -4.096 1.00 0.00 O ATOM 0 H ASP A 113 -11.296 8.021 -4.836 1.00 0.00 H new ATOM 0 HA ASP A 113 -12.342 9.844 -2.924 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -13.454 8.635 -4.959 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.705 7.289 -3.865 1.00 0.00 H new ATOM 1826 N ASP A 114 -12.121 6.721 -1.860 1.00 0.00 N ATOM 1827 CA ASP A 114 -12.080 5.924 -0.603 1.00 0.00 C ATOM 1828 C ASP A 114 -10.699 6.072 0.032 1.00 0.00 C ATOM 1829 O ASP A 114 -10.440 5.562 1.103 1.00 0.00 O ATOM 1830 CB ASP A 114 -12.345 4.452 -0.918 1.00 0.00 C ATOM 1831 CG ASP A 114 -12.998 3.781 0.292 1.00 0.00 C ATOM 1832 OD1 ASP A 114 -13.405 4.495 1.194 1.00 0.00 O ATOM 1833 OD2 ASP A 114 -13.081 2.564 0.296 1.00 0.00 O ATOM 0 H ASP A 114 -12.006 6.185 -2.720 1.00 0.00 H new ATOM 0 HA ASP A 114 -12.844 6.283 0.086 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -12.995 4.367 -1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -11.411 3.948 -1.166 1.00 0.00 H new ATOM 1838 N PHE A 115 -9.812 6.777 -0.615 1.00 0.00 N ATOM 1839 CA PHE A 115 -8.457 6.965 -0.036 1.00 0.00 C ATOM 1840 C PHE A 115 -8.311 8.424 0.419 1.00 0.00 C ATOM 1841 O PHE A 115 -8.225 9.320 -0.397 1.00 0.00 O ATOM 1842 CB PHE A 115 -7.400 6.626 -1.086 1.00 0.00 C ATOM 1843 CG PHE A 115 -7.168 5.133 -1.073 1.00 0.00 C ATOM 1844 CD1 PHE A 115 -6.702 4.503 0.091 1.00 0.00 C ATOM 1845 CD2 PHE A 115 -7.432 4.375 -2.219 1.00 0.00 C ATOM 1846 CE1 PHE A 115 -6.501 3.117 0.102 1.00 0.00 C ATOM 1847 CE2 PHE A 115 -7.234 2.990 -2.206 1.00 0.00 C ATOM 1848 CZ PHE A 115 -6.768 2.361 -1.045 1.00 0.00 C ATOM 0 H PHE A 115 -9.968 7.229 -1.516 1.00 0.00 H new ATOM 0 HA PHE A 115 -8.320 6.305 0.820 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -7.731 6.949 -2.073 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -6.471 7.155 -0.872 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -6.499 5.086 0.977 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -7.789 4.860 -3.115 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -6.140 2.631 0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -7.440 2.406 -3.091 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.615 1.292 -1.035 1.00 0.00 H new ATOM 1858 N PRO A 116 -8.308 8.620 1.717 1.00 0.00 N ATOM 1859 CA PRO A 116 -8.199 9.962 2.315 1.00 0.00 C ATOM 1860 C PRO A 116 -7.028 10.745 1.708 1.00 0.00 C ATOM 1861 O PRO A 116 -6.131 10.169 1.125 1.00 0.00 O ATOM 1862 CB PRO A 116 -7.977 9.699 3.810 1.00 0.00 C ATOM 1863 CG PRO A 116 -8.222 8.191 4.059 1.00 0.00 C ATOM 1864 CD PRO A 116 -8.404 7.520 2.692 1.00 0.00 C ATOM 0 HA PRO A 116 -9.085 10.570 2.131 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.964 9.976 4.102 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -8.658 10.302 4.411 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.381 7.749 4.594 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -9.106 8.044 4.679 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.636 6.767 2.516 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -9.367 7.015 2.625 1.00 0.00 H new ATOM 1872 N PRO A 117 -7.086 12.045 1.863 1.00 0.00 N ATOM 1873 CA PRO A 117 -6.050 12.950 1.335 1.00 0.00 C ATOM 1874 C PRO A 117 -4.686 12.599 1.933 1.00 0.00 C ATOM 1875 O PRO A 117 -4.483 12.675 3.130 1.00 0.00 O ATOM 1876 CB PRO A 117 -6.490 14.354 1.774 1.00 0.00 C ATOM 1877 CG PRO A 117 -7.830 14.209 2.539 1.00 0.00 C ATOM 1878 CD PRO A 117 -8.188 12.716 2.579 1.00 0.00 C ATOM 0 HA PRO A 117 -5.947 12.876 0.252 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.733 14.810 2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -6.612 15.005 0.908 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -7.738 14.607 3.550 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -8.617 14.777 2.043 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.270 12.356 3.605 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -9.147 12.526 2.097 1.00 0.00 H new ATOM 1886 N ALA A 118 -3.754 12.218 1.105 1.00 0.00 N ATOM 1887 CA ALA A 118 -2.399 11.858 1.610 1.00 0.00 C ATOM 1888 C ALA A 118 -1.677 11.027 0.549 1.00 0.00 C ATOM 1889 O ALA A 118 -0.481 11.137 0.365 1.00 0.00 O ATOM 1890 CB ALA A 118 -2.525 11.043 2.901 1.00 0.00 C ATOM 0 H ALA A 118 -3.873 12.140 0.095 1.00 0.00 H new ATOM 0 HA ALA A 118 -1.833 12.766 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.531 10.783 3.265 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -3.045 11.634 3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -3.089 10.132 2.702 1.00 0.00 H new ATOM 1896 N ASN A 119 -2.398 10.192 -0.150 1.00 0.00 N ATOM 1897 CA ASN A 119 -1.766 9.352 -1.195 1.00 0.00 C ATOM 1898 C ASN A 119 -2.381 9.693 -2.555 1.00 0.00 C ATOM 1899 O ASN A 119 -2.628 8.834 -3.369 1.00 0.00 O ATOM 1900 CB ASN A 119 -2.028 7.887 -0.863 1.00 0.00 C ATOM 1901 CG ASN A 119 -0.757 7.261 -0.291 1.00 0.00 C ATOM 1902 OD1 ASN A 119 -0.444 6.125 -0.579 1.00 0.00 O ATOM 1903 ND2 ASN A 119 -0.007 7.959 0.517 1.00 0.00 N ATOM 0 H ASN A 119 -3.403 10.059 -0.038 1.00 0.00 H new ATOM 0 HA ASN A 119 -0.692 9.536 -1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -2.842 7.806 -0.143 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.340 7.350 -1.759 1.00 0.00 H new ATOM 0 HD21 ASN A 119 0.842 7.549 0.906 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -0.270 8.914 0.759 1.00 0.00 H new ATOM 1910 N GLU A 120 -2.632 10.947 -2.795 1.00 0.00 N ATOM 1911 CA GLU A 120 -3.238 11.371 -4.088 1.00 0.00 C ATOM 1912 C GLU A 120 -2.262 11.217 -5.281 1.00 0.00 C ATOM 1913 O GLU A 120 -2.703 10.931 -6.376 1.00 0.00 O ATOM 1914 CB GLU A 120 -3.663 12.835 -3.977 1.00 0.00 C ATOM 1915 CG GLU A 120 -4.746 12.967 -2.904 1.00 0.00 C ATOM 1916 CD GLU A 120 -5.922 13.771 -3.460 1.00 0.00 C ATOM 1917 OE1 GLU A 120 -5.678 14.683 -4.232 1.00 0.00 O ATOM 1918 OE2 GLU A 120 -7.047 13.460 -3.105 1.00 0.00 O ATOM 0 H GLU A 120 -2.441 11.707 -2.143 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.094 10.724 -4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.805 13.457 -3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -4.040 13.190 -4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -5.084 11.979 -2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.340 13.461 -2.021 1.00 0.00 H new ATOM 1925 N PRO A 121 -0.980 11.437 -5.066 1.00 0.00 N ATOM 1926 CA PRO A 121 0.016 11.346 -6.155 1.00 0.00 C ATOM 1927 C PRO A 121 0.042 9.951 -6.796 1.00 0.00 C ATOM 1928 O PRO A 121 0.215 9.826 -7.991 1.00 0.00 O ATOM 1929 CB PRO A 121 1.362 11.666 -5.492 1.00 0.00 C ATOM 1930 CG PRO A 121 1.076 12.048 -4.020 1.00 0.00 C ATOM 1931 CD PRO A 121 -0.414 11.791 -3.755 1.00 0.00 C ATOM 0 HA PRO A 121 -0.222 12.035 -6.966 1.00 0.00 H new ATOM 0 HB2 PRO A 121 2.028 10.805 -5.542 1.00 0.00 H new ATOM 0 HB3 PRO A 121 1.860 12.485 -6.011 1.00 0.00 H new ATOM 0 HG2 PRO A 121 1.693 11.456 -3.344 1.00 0.00 H new ATOM 0 HG3 PRO A 121 1.322 13.095 -3.841 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -0.553 10.985 -3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -0.899 12.675 -3.342 1.00 0.00 H new ATOM 1939 N VAL A 122 -0.123 8.898 -6.036 1.00 0.00 N ATOM 1940 CA VAL A 122 -0.097 7.547 -6.657 1.00 0.00 C ATOM 1941 C VAL A 122 -1.541 7.056 -6.790 1.00 0.00 C ATOM 1942 O VAL A 122 -1.937 6.524 -7.807 1.00 0.00 O ATOM 1943 CB VAL A 122 0.778 6.614 -5.789 1.00 0.00 C ATOM 1944 CG1 VAL A 122 0.008 5.389 -5.280 1.00 0.00 C ATOM 1945 CG2 VAL A 122 1.973 6.138 -6.617 1.00 0.00 C ATOM 0 H VAL A 122 -0.272 8.917 -5.027 1.00 0.00 H new ATOM 0 HA VAL A 122 0.344 7.565 -7.654 1.00 0.00 H new ATOM 0 HB VAL A 122 1.102 7.185 -4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.670 4.768 -4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.836 5.716 -4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.358 4.811 -6.129 1.00 0.00 H new ATOM 0 HG21 VAL A 122 2.596 5.479 -6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.616 5.596 -7.493 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.560 6.999 -6.937 1.00 0.00 H new ATOM 1955 N ILE A 123 -2.336 7.261 -5.780 1.00 0.00 N ATOM 1956 CA ILE A 123 -3.757 6.845 -5.855 1.00 0.00 C ATOM 1957 C ILE A 123 -4.374 7.467 -7.104 1.00 0.00 C ATOM 1958 O ILE A 123 -5.296 6.940 -7.692 1.00 0.00 O ATOM 1959 CB ILE A 123 -4.483 7.356 -4.622 1.00 0.00 C ATOM 1960 CG1 ILE A 123 -3.928 6.641 -3.386 1.00 0.00 C ATOM 1961 CG2 ILE A 123 -5.977 7.074 -4.765 1.00 0.00 C ATOM 1962 CD1 ILE A 123 -4.479 5.214 -3.326 1.00 0.00 C ATOM 0 H ILE A 123 -2.059 7.701 -4.902 1.00 0.00 H new ATOM 0 HA ILE A 123 -3.838 5.759 -5.901 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.333 8.430 -4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.839 6.619 -3.425 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.204 7.186 -2.484 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -6.502 7.439 -3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -6.360 7.581 -5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -6.137 6.000 -4.864 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -4.083 4.708 -2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -5.567 5.246 -3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -4.180 4.671 -4.222 1.00 0.00 H new ATOM 1974 N ALA A 124 -3.864 8.594 -7.509 1.00 0.00 N ATOM 1975 CA ALA A 124 -4.402 9.267 -8.722 1.00 0.00 C ATOM 1976 C ALA A 124 -3.963 8.499 -9.972 1.00 0.00 C ATOM 1977 O ALA A 124 -4.693 8.393 -10.936 1.00 0.00 O ATOM 1978 CB ALA A 124 -3.869 10.702 -8.790 1.00 0.00 C ATOM 0 H ALA A 124 -3.094 9.081 -7.050 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.491 9.286 -8.672 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.263 11.195 -9.679 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.184 11.250 -7.902 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.780 10.684 -8.838 1.00 0.00 H new ATOM 1984 N LYS A 125 -2.770 7.968 -9.965 1.00 0.00 N ATOM 1985 CA LYS A 125 -2.277 7.217 -11.149 1.00 0.00 C ATOM 1986 C LYS A 125 -3.026 5.885 -11.291 1.00 0.00 C ATOM 1987 O LYS A 125 -3.489 5.541 -12.360 1.00 0.00 O ATOM 1988 CB LYS A 125 -0.778 6.945 -10.991 1.00 0.00 C ATOM 1989 CG LYS A 125 0.012 7.854 -11.937 1.00 0.00 C ATOM 1990 CD LYS A 125 0.844 8.845 -11.120 1.00 0.00 C ATOM 1991 CE LYS A 125 2.177 9.092 -11.827 1.00 0.00 C ATOM 1992 NZ LYS A 125 3.297 8.668 -10.939 1.00 0.00 N ATOM 0 H LYS A 125 -2.115 8.024 -9.185 1.00 0.00 H new ATOM 0 HA LYS A 125 -2.453 7.815 -12.043 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.473 7.123 -9.960 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -0.563 5.899 -11.211 1.00 0.00 H new ATOM 0 HG2 LYS A 125 0.663 7.255 -12.574 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -0.670 8.392 -12.595 1.00 0.00 H new ATOM 0 HD2 LYS A 125 0.302 9.783 -11.004 1.00 0.00 H new ATOM 0 HD3 LYS A 125 1.018 8.452 -10.118 1.00 0.00 H new ATOM 0 HE2 LYS A 125 2.212 8.537 -12.764 1.00 0.00 H new ATOM 0 HE3 LYS A 125 2.278 10.148 -12.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 3.922 9.479 -10.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 2.913 8.318 -10.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 3.839 7.910 -11.401 1.00 0.00 H new ATOM 2006 N LEU A 126 -3.148 5.125 -10.230 1.00 0.00 N ATOM 2007 CA LEU A 126 -3.855 3.826 -10.327 1.00 0.00 C ATOM 2008 C LEU A 126 -5.374 4.029 -10.272 1.00 0.00 C ATOM 2009 O LEU A 126 -6.112 3.115 -9.972 1.00 0.00 O ATOM 2010 CB LEU A 126 -3.411 2.909 -9.184 1.00 0.00 C ATOM 2011 CG LEU A 126 -3.435 3.638 -7.836 1.00 0.00 C ATOM 2012 CD1 LEU A 126 -4.856 4.105 -7.529 1.00 0.00 C ATOM 2013 CD2 LEU A 126 -2.984 2.673 -6.738 1.00 0.00 C ATOM 0 H LEU A 126 -2.786 5.355 -9.304 1.00 0.00 H new ATOM 0 HA LEU A 126 -3.603 3.364 -11.282 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -4.066 2.039 -9.140 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -2.404 2.541 -9.382 1.00 0.00 H new ATOM 0 HG LEU A 126 -2.768 4.499 -7.878 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.870 4.623 -6.570 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.193 4.783 -8.313 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.521 3.242 -7.485 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -2.998 3.185 -5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -3.660 1.818 -6.705 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -1.972 2.328 -6.950 1.00 0.00 H new ATOM 2025 N LYS A 127 -5.851 5.207 -10.562 1.00 0.00 N ATOM 2026 CA LYS A 127 -7.309 5.449 -10.544 1.00 0.00 C ATOM 2027 C LYS A 127 -7.954 4.580 -11.617 1.00 0.00 C ATOM 2028 O LYS A 127 -9.009 4.007 -11.431 1.00 0.00 O ATOM 2029 CB LYS A 127 -7.544 6.915 -10.870 1.00 0.00 C ATOM 2030 CG LYS A 127 -7.277 7.751 -9.626 1.00 0.00 C ATOM 2031 CD LYS A 127 -8.028 9.081 -9.722 1.00 0.00 C ATOM 2032 CE LYS A 127 -7.997 9.785 -8.362 1.00 0.00 C ATOM 2033 NZ LYS A 127 -9.391 10.076 -7.920 1.00 0.00 N ATOM 0 H LYS A 127 -5.283 6.016 -10.812 1.00 0.00 H new ATOM 0 HA LYS A 127 -7.736 5.208 -9.571 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -6.888 7.229 -11.682 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -8.568 7.065 -11.211 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -7.595 7.207 -8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -6.207 7.934 -9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -7.571 9.715 -10.482 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -9.059 8.907 -10.030 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -7.495 9.156 -7.627 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -7.426 10.711 -8.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -9.390 10.904 -7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -9.985 10.273 -8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -9.772 9.254 -7.410 1.00 0.00 H new ATOM 2047 N ARG A 128 -7.314 4.492 -12.745 1.00 0.00 N ATOM 2048 CA ARG A 128 -7.843 3.682 -13.859 1.00 0.00 C ATOM 2049 C ARG A 128 -7.545 2.195 -13.619 1.00 0.00 C ATOM 2050 O ARG A 128 -7.775 1.370 -14.479 1.00 0.00 O ATOM 2051 CB ARG A 128 -7.156 4.140 -15.140 1.00 0.00 C ATOM 2052 CG ARG A 128 -7.771 5.461 -15.604 1.00 0.00 C ATOM 2053 CD ARG A 128 -6.917 6.626 -15.101 1.00 0.00 C ATOM 2054 NE ARG A 128 -7.166 7.833 -15.942 1.00 0.00 N ATOM 2055 CZ ARG A 128 -7.354 7.711 -17.230 1.00 0.00 C ATOM 2056 NH1 ARG A 128 -6.596 6.909 -17.926 1.00 0.00 N ATOM 2057 NH2 ARG A 128 -8.299 8.392 -17.821 1.00 0.00 N ATOM 0 H ARG A 128 -6.429 4.959 -12.941 1.00 0.00 H new ATOM 0 HA ARG A 128 -8.923 3.810 -13.935 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -6.087 4.265 -14.967 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -7.267 3.382 -15.916 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -7.832 5.484 -16.692 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -8.789 5.553 -15.226 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -7.156 6.841 -14.059 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -5.861 6.357 -15.137 1.00 0.00 H new ATOM 0 HE ARG A 128 -7.190 8.757 -15.510 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -5.857 6.378 -17.465 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -6.742 6.813 -18.931 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -8.891 9.020 -17.278 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -8.445 8.296 -18.826 1.00 0.00 H new ATOM 2071 N LEU A 129 -7.035 1.862 -12.455 1.00 0.00 N ATOM 2072 CA LEU A 129 -6.711 0.438 -12.116 1.00 0.00 C ATOM 2073 C LEU A 129 -7.647 -0.517 -12.865 1.00 0.00 C ATOM 2074 O LEU A 129 -7.188 -1.580 -13.252 1.00 0.00 O ATOM 2075 CB LEU A 129 -6.899 0.238 -10.610 1.00 0.00 C ATOM 2076 CG LEU A 129 -5.749 -0.593 -10.036 1.00 0.00 C ATOM 2077 CD1 LEU A 129 -4.416 0.113 -10.292 1.00 0.00 C ATOM 2078 CD2 LEU A 129 -5.951 -0.744 -8.527 1.00 0.00 C ATOM 2079 OXT LEU A 129 -8.803 -0.169 -13.039 1.00 0.00 O ATOM 0 H LEU A 129 -6.826 2.530 -11.713 1.00 0.00 H new ATOM 0 HA LEU A 129 -5.682 0.226 -12.407 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -6.942 1.206 -10.110 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -7.849 -0.262 -10.419 1.00 0.00 H new ATOM 0 HG LEU A 129 -5.736 -1.572 -10.516 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -3.603 -0.485 -9.880 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -4.269 0.235 -11.365 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -4.425 1.092 -9.813 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -5.136 -1.335 -8.108 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -5.961 0.241 -8.061 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -6.899 -1.246 -8.335 1.00 0.00 H new