USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 MET CE :methyl -175:sc= 0 (180deg=0) USER MOD Set 1.2: A 80 MET CE :methyl -166:sc= -1.82 (180deg=-2.12!) USER MOD Set 2.1: A 45 MET CE :methyl 149:sc= -2.64! (180deg=-4.91!) USER MOD Set 2.2: A 50 GLN : amide:sc= 0 X(o=-2.6,f=-2.8) USER MOD Set 3.1: A 35 CYS SG : rot -123:sc= 0.0273 USER MOD Set 3.2: A 69 SER OG : rot -83:sc= 0.699 USER MOD Set 3.3: A 71 THR OG1 : rot 142:sc= 0.914 USER MOD Set 4.1: A 16 GLN : amide:sc= -1.76 K(o=-1.8,f=-4.2) USER MOD Set 4.2: A 81 MET CE :methyl 179:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0594 X(o=-0.059,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0684) USER MOD Single : A 18 ASN : amide:sc= 0.0265 X(o=0.026,f=-0.032) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 37 SER OG : rot 130:sc= -0.0137 USER MOD Single : A 38 THR OG1 : rot -91:sc= 0.338 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 177:sc= -0.121 (180deg=-0.145) USER MOD Single : A 51 ASN : amide:sc= -0.0518 X(o=-0.052,f=-0.25) USER MOD Single : A 53 THR OG1 : rot -160:sc= 0.654 USER MOD Single : A 58 GLN : amide:sc= -0.629 X(o=-0.63,f=-0.15) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 9.081 -2.889 -18.198 1.00 0.00 N ATOM 47 CA ILE A 4 8.083 -3.866 -17.749 1.00 0.00 C ATOM 48 C ILE A 4 6.693 -3.227 -17.704 1.00 0.00 C ATOM 49 O ILE A 4 5.683 -3.918 -17.819 1.00 0.00 O ATOM 50 CB ILE A 4 8.433 -4.427 -16.359 1.00 0.00 C ATOM 51 CG1 ILE A 4 8.380 -3.311 -15.307 1.00 0.00 C ATOM 52 CG2 ILE A 4 9.840 -5.031 -16.386 1.00 0.00 C ATOM 53 CD1 ILE A 4 6.957 -3.188 -14.761 1.00 0.00 C ATOM 0 HA ILE A 4 8.084 -4.688 -18.465 1.00 0.00 H new ATOM 0 HB ILE A 4 7.707 -5.198 -16.099 1.00 0.00 H new ATOM 0 HG12 ILE A 4 9.074 -3.529 -14.495 1.00 0.00 H new ATOM 0 HG13 ILE A 4 8.694 -2.365 -15.749 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.085 -5.427 -15.401 1.00 0.00 H new ATOM 0 HG22 ILE A 4 9.876 -5.836 -17.120 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.562 -4.260 -16.657 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.921 -2.395 -14.014 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.274 -2.950 -15.576 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.660 -4.132 -14.303 1.00 0.00 H new ATOM 65 N TYR A 5 6.655 -1.897 -17.542 1.00 0.00 N ATOM 66 CA TYR A 5 5.383 -1.167 -17.492 1.00 0.00 C ATOM 67 C TYR A 5 4.683 -1.248 -18.845 1.00 0.00 C ATOM 68 O TYR A 5 3.454 -1.299 -18.923 1.00 0.00 O ATOM 69 CB TYR A 5 5.615 0.309 -17.148 1.00 0.00 C ATOM 70 CG TYR A 5 6.451 0.415 -15.894 1.00 0.00 C ATOM 71 CD1 TYR A 5 5.983 -0.137 -14.697 1.00 0.00 C ATOM 72 CD2 TYR A 5 7.691 1.061 -15.932 1.00 0.00 C ATOM 73 CE1 TYR A 5 6.755 -0.040 -13.534 1.00 0.00 C ATOM 74 CE2 TYR A 5 8.463 1.158 -14.771 1.00 0.00 C ATOM 75 CZ TYR A 5 7.996 0.607 -13.571 1.00 0.00 C ATOM 76 OH TYR A 5 8.758 0.705 -12.424 1.00 0.00 O ATOM 0 H TYR A 5 7.483 -1.310 -17.444 1.00 0.00 H new ATOM 0 HA TYR A 5 4.763 -1.624 -16.720 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.118 0.810 -17.975 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.659 0.813 -17.003 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.026 -0.638 -14.670 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.052 1.485 -16.858 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.394 -0.464 -12.609 1.00 0.00 H new ATOM 0 HE2 TYR A 5 9.420 1.658 -14.799 1.00 0.00 H new ATOM 0 HH TYR A 5 9.590 1.182 -12.624 1.00 0.00 H new ATOM 86 N LYS A 6 5.490 -1.269 -19.907 1.00 0.00 N ATOM 87 CA LYS A 6 4.960 -1.355 -21.271 1.00 0.00 C ATOM 88 C LYS A 6 4.573 -2.796 -21.584 1.00 0.00 C ATOM 89 O LYS A 6 3.569 -3.056 -22.249 1.00 0.00 O ATOM 90 CB LYS A 6 5.999 -0.878 -22.297 1.00 0.00 C ATOM 91 CG LYS A 6 6.671 0.413 -21.809 1.00 0.00 C ATOM 92 CD LYS A 6 5.606 1.392 -21.304 1.00 0.00 C ATOM 93 CE LYS A 6 6.283 2.578 -20.613 1.00 0.00 C ATOM 94 NZ LYS A 6 5.321 3.714 -20.510 1.00 0.00 N ATOM 0 H LYS A 6 6.508 -1.228 -19.851 1.00 0.00 H new ATOM 0 HA LYS A 6 4.083 -0.711 -21.335 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.751 -1.652 -22.451 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.518 -0.705 -23.259 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.378 0.187 -21.011 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.240 0.867 -22.620 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.997 1.743 -22.137 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.935 0.888 -20.608 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.625 2.286 -19.620 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.165 2.885 -21.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.783 4.519 -20.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.016 3.998 -21.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.493 3.418 -19.955 1.00 0.00 H new ATOM 108 N ALA A 7 5.380 -3.728 -21.078 1.00 0.00 N ATOM 109 CA ALA A 7 5.122 -5.153 -21.284 1.00 0.00 C ATOM 110 C ALA A 7 3.932 -5.620 -20.435 1.00 0.00 C ATOM 111 O ALA A 7 3.251 -6.586 -20.784 1.00 0.00 O ATOM 112 CB ALA A 7 6.356 -5.977 -20.908 1.00 0.00 C ATOM 0 H ALA A 7 6.213 -3.524 -20.526 1.00 0.00 H new ATOM 0 HA ALA A 7 4.890 -5.301 -22.339 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.149 -7.035 -21.067 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.199 -5.675 -21.530 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.600 -5.808 -19.859 1.00 0.00 H new ATOM 118 N ALA A 8 3.694 -4.928 -19.313 1.00 0.00 N ATOM 119 CA ALA A 8 2.596 -5.279 -18.415 1.00 0.00 C ATOM 120 C ALA A 8 1.285 -4.605 -18.835 1.00 0.00 C ATOM 121 O ALA A 8 0.209 -5.163 -18.625 1.00 0.00 O ATOM 122 CB ALA A 8 2.931 -4.864 -16.980 1.00 0.00 C ATOM 0 H ALA A 8 4.247 -4.126 -19.010 1.00 0.00 H new ATOM 0 HA ALA A 8 2.465 -6.360 -18.470 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.104 -5.131 -16.322 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.835 -5.378 -16.654 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.092 -3.787 -16.941 1.00 0.00 H new ATOM 128 N VAL A 9 1.378 -3.398 -19.418 1.00 0.00 N ATOM 129 CA VAL A 9 0.174 -2.664 -19.841 1.00 0.00 C ATOM 130 C VAL A 9 -0.705 -3.509 -20.778 1.00 0.00 C ATOM 131 O VAL A 9 -1.934 -3.444 -20.708 1.00 0.00 O ATOM 132 CB VAL A 9 0.549 -1.333 -20.522 1.00 0.00 C ATOM 133 CG1 VAL A 9 0.923 -1.560 -21.990 1.00 0.00 C ATOM 134 CG2 VAL A 9 -0.642 -0.372 -20.448 1.00 0.00 C ATOM 0 H VAL A 9 2.258 -2.917 -19.605 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.402 -2.447 -18.942 1.00 0.00 H new ATOM 0 HB VAL A 9 1.408 -0.907 -20.004 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.184 -0.607 -22.451 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.776 -2.237 -22.048 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.076 -1.998 -22.518 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.380 0.570 -20.929 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.498 -0.814 -20.958 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.897 -0.188 -19.404 1.00 0.00 H new ATOM 144 N GLU A 10 -0.066 -4.307 -21.645 1.00 0.00 N ATOM 145 CA GLU A 10 -0.806 -5.162 -22.577 1.00 0.00 C ATOM 146 C GLU A 10 -1.544 -6.287 -21.836 1.00 0.00 C ATOM 147 O GLU A 10 -2.534 -6.824 -22.336 1.00 0.00 O ATOM 148 CB GLU A 10 0.149 -5.767 -23.613 1.00 0.00 C ATOM 149 CG GLU A 10 1.089 -6.777 -22.943 1.00 0.00 C ATOM 150 CD GLU A 10 0.872 -8.163 -23.544 1.00 0.00 C ATOM 151 OE1 GLU A 10 -0.164 -8.752 -23.271 1.00 0.00 O ATOM 152 OE2 GLU A 10 1.745 -8.619 -24.264 1.00 0.00 O ATOM 0 H GLU A 10 0.949 -4.377 -21.719 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.545 -4.541 -23.083 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.422 -6.258 -24.401 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.731 -4.976 -24.087 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.126 -6.469 -23.080 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.904 -6.803 -21.869 1.00 0.00 H new ATOM 159 N GLN A 11 -1.055 -6.633 -20.639 1.00 0.00 N ATOM 160 CA GLN A 11 -1.673 -7.691 -19.838 1.00 0.00 C ATOM 161 C GLN A 11 -2.794 -7.125 -18.967 1.00 0.00 C ATOM 162 O GLN A 11 -3.871 -7.715 -18.864 1.00 0.00 O ATOM 163 CB GLN A 11 -0.631 -8.362 -18.936 1.00 0.00 C ATOM 164 CG GLN A 11 0.454 -9.020 -19.795 1.00 0.00 C ATOM 165 CD GLN A 11 0.054 -10.458 -20.116 1.00 0.00 C ATOM 166 OE1 GLN A 11 0.522 -11.397 -19.473 1.00 0.00 O ATOM 167 NE2 GLN A 11 -0.793 -10.689 -21.085 1.00 0.00 N ATOM 0 H GLN A 11 -0.239 -6.198 -20.208 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.087 -8.428 -20.526 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.183 -7.624 -18.271 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.111 -9.110 -18.305 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.593 -8.456 -20.718 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.407 -9.007 -19.267 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.182 -9.912 -21.619 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.065 -11.647 -21.307 1.00 0.00 H new ATOM 176 N LEU A 12 -2.524 -5.976 -18.340 1.00 0.00 N ATOM 177 CA LEU A 12 -3.509 -5.327 -17.471 1.00 0.00 C ATOM 178 C LEU A 12 -4.743 -4.913 -18.270 1.00 0.00 C ATOM 179 O LEU A 12 -4.644 -4.515 -19.433 1.00 0.00 O ATOM 180 CB LEU A 12 -2.908 -4.086 -16.809 1.00 0.00 C ATOM 181 CG LEU A 12 -1.665 -4.342 -15.951 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.544 -3.401 -16.387 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.998 -4.093 -14.479 1.00 0.00 C ATOM 0 H LEU A 12 -1.637 -5.479 -18.417 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.798 -6.045 -16.704 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.651 -3.367 -17.587 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.671 -3.621 -16.185 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.343 -5.375 -16.079 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.341 -3.582 -15.777 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.305 -3.581 -17.435 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.867 -2.368 -16.260 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.113 -4.276 -13.870 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.321 -3.060 -14.349 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.797 -4.766 -14.168 1.00 0.00 H new ATOM 195 N THR A 13 -5.907 -5.012 -17.627 1.00 0.00 N ATOM 196 CA THR A 13 -7.170 -4.649 -18.277 1.00 0.00 C ATOM 197 C THR A 13 -7.830 -3.474 -17.561 1.00 0.00 C ATOM 198 O THR A 13 -7.422 -3.081 -16.467 1.00 0.00 O ATOM 199 CB THR A 13 -8.150 -5.832 -18.276 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.856 -6.708 -17.194 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.038 -6.592 -19.596 1.00 0.00 C ATOM 0 H THR A 13 -6.003 -5.337 -16.665 1.00 0.00 H new ATOM 0 HA THR A 13 -6.935 -4.370 -19.304 1.00 0.00 H new ATOM 0 HB THR A 13 -9.165 -5.452 -18.160 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.486 -7.458 -17.200 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.734 -7.431 -19.593 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.279 -5.923 -20.422 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.021 -6.965 -19.716 1.00 0.00 H new ATOM 209 N ASP A 14 -8.873 -2.930 -18.193 1.00 0.00 N ATOM 210 CA ASP A 14 -9.615 -1.807 -17.615 1.00 0.00 C ATOM 211 C ASP A 14 -10.240 -2.214 -16.278 1.00 0.00 C ATOM 212 O ASP A 14 -10.401 -1.386 -15.382 1.00 0.00 O ATOM 213 CB ASP A 14 -10.730 -1.357 -18.562 1.00 0.00 C ATOM 214 CG ASP A 14 -10.121 -0.689 -19.793 1.00 0.00 C ATOM 215 OD1 ASP A 14 -9.812 0.489 -19.713 1.00 0.00 O ATOM 216 OD2 ASP A 14 -9.973 -1.366 -20.797 1.00 0.00 O ATOM 0 H ASP A 14 -9.221 -3.246 -19.098 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.915 -0.986 -17.459 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.333 -2.214 -18.862 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.396 -0.662 -18.051 1.00 0.00 H new ATOM 221 N GLU A 15 -10.585 -3.502 -16.161 1.00 0.00 N ATOM 222 CA GLU A 15 -11.190 -4.026 -14.934 1.00 0.00 C ATOM 223 C GLU A 15 -10.256 -3.838 -13.735 1.00 0.00 C ATOM 224 O GLU A 15 -10.698 -3.445 -12.654 1.00 0.00 O ATOM 225 CB GLU A 15 -11.513 -5.517 -15.085 1.00 0.00 C ATOM 226 CG GLU A 15 -12.866 -5.681 -15.783 1.00 0.00 C ATOM 227 CD GLU A 15 -13.991 -5.534 -14.760 1.00 0.00 C ATOM 228 OE1 GLU A 15 -14.431 -4.416 -14.547 1.00 0.00 O ATOM 229 OE2 GLU A 15 -14.395 -6.543 -14.205 1.00 0.00 O ATOM 0 H GLU A 15 -10.456 -4.196 -16.897 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.110 -3.468 -14.760 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.732 -6.012 -15.662 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.537 -5.995 -14.106 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.975 -4.933 -16.568 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.923 -6.658 -16.263 1.00 0.00 H new ATOM 236 N GLN A 16 -8.960 -4.117 -13.936 1.00 0.00 N ATOM 237 CA GLN A 16 -7.981 -3.967 -12.853 1.00 0.00 C ATOM 238 C GLN A 16 -7.840 -2.493 -12.454 1.00 0.00 C ATOM 239 O GLN A 16 -7.617 -2.178 -11.283 1.00 0.00 O ATOM 240 CB GLN A 16 -6.611 -4.554 -13.259 1.00 0.00 C ATOM 241 CG GLN A 16 -5.744 -3.509 -13.983 1.00 0.00 C ATOM 242 CD GLN A 16 -4.860 -2.777 -12.972 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.924 -1.554 -12.855 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.029 -3.457 -12.228 1.00 0.00 N ATOM 0 H GLN A 16 -8.572 -4.442 -14.822 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.344 -4.525 -11.990 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.089 -4.910 -12.371 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.761 -5.417 -13.908 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.124 -3.996 -14.736 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.380 -2.796 -14.507 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.973 -4.471 -12.322 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.436 -2.974 -11.553 1.00 0.00 H new ATOM 253 N LYS A 17 -7.988 -1.595 -13.436 1.00 0.00 N ATOM 254 CA LYS A 17 -7.893 -0.158 -13.172 1.00 0.00 C ATOM 255 C LYS A 17 -9.186 0.354 -12.533 1.00 0.00 C ATOM 256 O LYS A 17 -9.171 1.330 -11.785 1.00 0.00 O ATOM 257 CB LYS A 17 -7.629 0.616 -14.465 1.00 0.00 C ATOM 258 CG LYS A 17 -6.131 0.911 -14.588 1.00 0.00 C ATOM 259 CD LYS A 17 -5.506 -0.027 -15.624 1.00 0.00 C ATOM 260 CE LYS A 17 -5.698 0.555 -17.029 1.00 0.00 C ATOM 261 NZ LYS A 17 -5.886 -0.553 -18.009 1.00 0.00 N ATOM 0 H LYS A 17 -8.172 -1.836 -14.410 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.061 0.001 -12.486 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.968 0.036 -15.324 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.195 1.548 -14.466 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.978 1.949 -14.883 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.644 0.779 -13.622 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.444 -0.158 -15.416 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.967 -1.013 -15.562 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.563 1.218 -17.044 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.832 1.156 -17.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.416 -0.309 -18.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.472 -1.428 -17.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.902 -0.697 -18.180 1.00 0.00 H new ATOM 275 N ASN A 18 -10.303 -0.328 -12.826 1.00 0.00 N ATOM 276 CA ASN A 18 -11.599 0.050 -12.262 1.00 0.00 C ATOM 277 C ASN A 18 -11.573 -0.162 -10.744 1.00 0.00 C ATOM 278 O ASN A 18 -12.005 0.700 -9.977 1.00 0.00 O ATOM 279 CB ASN A 18 -12.722 -0.783 -12.920 1.00 0.00 C ATOM 280 CG ASN A 18 -13.674 -1.364 -11.871 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.518 -0.651 -11.325 1.00 0.00 O ATOM 282 ND2 ASN A 18 -13.587 -2.627 -11.556 1.00 0.00 N ATOM 0 H ASN A 18 -10.332 -1.138 -13.446 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.797 1.103 -12.463 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -13.282 -0.157 -13.615 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.283 -1.592 -13.503 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.217 -3.023 -10.859 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.889 -3.218 -12.007 1.00 0.00 H new ATOM 289 N GLU A 19 -11.041 -1.316 -10.329 1.00 0.00 N ATOM 290 CA GLU A 19 -10.933 -1.638 -8.903 1.00 0.00 C ATOM 291 C GLU A 19 -9.891 -0.735 -8.246 1.00 0.00 C ATOM 292 O GLU A 19 -10.101 -0.224 -7.147 1.00 0.00 O ATOM 293 CB GLU A 19 -10.515 -3.099 -8.696 1.00 0.00 C ATOM 294 CG GLU A 19 -11.521 -4.027 -9.380 1.00 0.00 C ATOM 295 CD GLU A 19 -11.199 -5.478 -9.034 1.00 0.00 C ATOM 296 OE1 GLU A 19 -11.684 -5.945 -8.016 1.00 0.00 O ATOM 297 OE2 GLU A 19 -10.472 -6.100 -9.792 1.00 0.00 O ATOM 0 H GLU A 19 -10.681 -2.037 -10.954 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.912 -1.481 -8.450 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.518 -3.263 -9.105 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.464 -3.325 -7.631 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.533 -3.782 -9.058 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.486 -3.884 -10.460 1.00 0.00 H new ATOM 304 N PHE A 20 -8.763 -0.552 -8.941 1.00 0.00 N ATOM 305 CA PHE A 20 -7.674 0.292 -8.435 1.00 0.00 C ATOM 306 C PHE A 20 -8.140 1.738 -8.250 1.00 0.00 C ATOM 307 O PHE A 20 -7.830 2.372 -7.242 1.00 0.00 O ATOM 308 CB PHE A 20 -6.486 0.277 -9.409 1.00 0.00 C ATOM 309 CG PHE A 20 -5.573 -0.896 -9.115 1.00 0.00 C ATOM 310 CD1 PHE A 20 -6.069 -2.047 -8.488 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.225 -0.826 -9.476 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.217 -3.122 -8.224 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.372 -1.902 -9.211 1.00 0.00 C ATOM 314 CZ PHE A 20 -3.867 -3.050 -8.584 1.00 0.00 C ATOM 0 H PHE A 20 -8.580 -0.975 -9.851 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.367 -0.113 -7.471 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.850 0.214 -10.435 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.928 1.210 -9.325 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.111 -2.103 -8.209 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.841 0.060 -9.960 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.601 -4.009 -7.742 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.330 -1.846 -9.491 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.208 -3.880 -8.378 1.00 0.00 H new ATOM 324 N LYS A 21 -8.884 2.249 -9.238 1.00 0.00 N ATOM 325 CA LYS A 21 -9.387 3.625 -9.181 1.00 0.00 C ATOM 326 C LYS A 21 -10.356 3.798 -8.010 1.00 0.00 C ATOM 327 O LYS A 21 -10.274 4.779 -7.272 1.00 0.00 O ATOM 328 CB LYS A 21 -10.099 3.997 -10.491 1.00 0.00 C ATOM 329 CG LYS A 21 -10.516 5.474 -10.465 1.00 0.00 C ATOM 330 CD LYS A 21 -9.286 6.359 -10.232 1.00 0.00 C ATOM 331 CE LYS A 21 -9.622 7.813 -10.583 1.00 0.00 C ATOM 332 NZ LYS A 21 -10.461 8.413 -9.502 1.00 0.00 N ATOM 0 H LYS A 21 -9.149 1.736 -10.079 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.532 4.286 -9.038 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.438 3.813 -11.338 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.977 3.366 -10.629 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.995 5.742 -11.407 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.249 5.640 -9.676 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.968 6.290 -9.192 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.454 6.010 -10.843 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.705 8.389 -10.706 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.154 7.854 -11.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.686 9.399 -9.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.343 7.870 -9.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.939 8.388 -8.603 1.00 0.00 H new ATOM 346 N ALA A 22 -11.267 2.833 -7.843 1.00 0.00 N ATOM 347 CA ALA A 22 -12.238 2.893 -6.746 1.00 0.00 C ATOM 348 C ALA A 22 -11.530 2.724 -5.401 1.00 0.00 C ATOM 349 O ALA A 22 -11.815 3.443 -4.444 1.00 0.00 O ATOM 350 CB ALA A 22 -13.296 1.798 -6.897 1.00 0.00 C ATOM 0 H ALA A 22 -11.352 2.013 -8.444 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.725 3.867 -6.783 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.006 1.862 -6.072 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.824 1.930 -7.841 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.813 0.821 -6.885 1.00 0.00 H new ATOM 356 N ALA A 23 -10.594 1.768 -5.349 1.00 0.00 N ATOM 357 CA ALA A 23 -9.829 1.503 -4.126 1.00 0.00 C ATOM 358 C ALA A 23 -8.990 2.724 -3.733 1.00 0.00 C ATOM 359 O ALA A 23 -8.690 2.930 -2.557 1.00 0.00 O ATOM 360 CB ALA A 23 -8.898 0.302 -4.328 1.00 0.00 C ATOM 0 H ALA A 23 -10.349 1.168 -6.137 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.540 1.285 -3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.337 0.118 -3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.490 -0.580 -4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.204 0.512 -5.142 1.00 0.00 H new ATOM 366 N PHE A 24 -8.622 3.530 -4.734 1.00 0.00 N ATOM 367 CA PHE A 24 -7.827 4.731 -4.492 1.00 0.00 C ATOM 368 C PHE A 24 -8.742 5.903 -4.124 1.00 0.00 C ATOM 369 O PHE A 24 -8.560 6.540 -3.089 1.00 0.00 O ATOM 370 CB PHE A 24 -7.021 5.093 -5.749 1.00 0.00 C ATOM 371 CG PHE A 24 -5.789 5.883 -5.371 1.00 0.00 C ATOM 372 CD1 PHE A 24 -4.622 5.217 -4.972 1.00 0.00 C ATOM 373 CD2 PHE A 24 -5.809 7.282 -5.422 1.00 0.00 C ATOM 374 CE1 PHE A 24 -3.482 5.948 -4.626 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.667 8.015 -5.075 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.504 7.348 -4.675 1.00 0.00 C ATOM 0 H PHE A 24 -8.862 3.371 -5.713 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.142 4.533 -3.667 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.731 4.185 -6.278 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.640 5.676 -6.431 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.604 4.138 -4.932 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.707 7.797 -5.730 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.583 5.433 -4.321 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.684 9.094 -5.116 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.624 7.912 -4.404 1.00 0.00 H new ATOM 386 N ASP A 25 -9.724 6.173 -4.994 1.00 0.00 N ATOM 387 CA ASP A 25 -10.673 7.276 -4.788 1.00 0.00 C ATOM 388 C ASP A 25 -11.294 7.266 -3.387 1.00 0.00 C ATOM 389 O ASP A 25 -11.416 8.317 -2.755 1.00 0.00 O ATOM 390 CB ASP A 25 -11.802 7.208 -5.824 1.00 0.00 C ATOM 391 CG ASP A 25 -12.499 8.563 -5.916 1.00 0.00 C ATOM 392 OD1 ASP A 25 -12.066 9.377 -6.717 1.00 0.00 O ATOM 393 OD2 ASP A 25 -13.455 8.768 -5.184 1.00 0.00 O ATOM 0 H ASP A 25 -9.883 5.641 -5.850 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.103 8.198 -4.901 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.399 6.929 -6.797 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.520 6.437 -5.543 1.00 0.00 H new ATOM 398 N ILE A 26 -11.699 6.081 -2.912 1.00 0.00 N ATOM 399 CA ILE A 26 -12.321 5.973 -1.582 1.00 0.00 C ATOM 400 C ILE A 26 -11.416 6.560 -0.493 1.00 0.00 C ATOM 401 O ILE A 26 -11.898 7.185 0.454 1.00 0.00 O ATOM 402 CB ILE A 26 -12.647 4.512 -1.239 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.381 3.651 -1.362 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.725 3.992 -2.195 1.00 0.00 C ATOM 405 CD1 ILE A 26 -11.706 2.194 -1.029 1.00 0.00 C ATOM 0 H ILE A 26 -11.611 5.198 -3.416 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.248 6.546 -1.617 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.015 4.455 -0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.980 3.721 -2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.610 4.024 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.957 2.955 -1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.625 4.599 -2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.361 4.052 -3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.803 1.590 -1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.086 2.130 -0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.461 1.822 -1.721 1.00 0.00 H new ATOM 417 N PHE A 27 -10.104 6.357 -0.638 1.00 0.00 N ATOM 418 CA PHE A 27 -9.143 6.876 0.339 1.00 0.00 C ATOM 419 C PHE A 27 -8.775 8.334 0.040 1.00 0.00 C ATOM 420 O PHE A 27 -8.398 9.080 0.946 1.00 0.00 O ATOM 421 CB PHE A 27 -7.869 6.026 0.343 1.00 0.00 C ATOM 422 CG PHE A 27 -8.080 4.805 1.209 1.00 0.00 C ATOM 423 CD1 PHE A 27 -7.817 4.864 2.583 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.540 3.613 0.637 1.00 0.00 C ATOM 425 CE1 PHE A 27 -8.016 3.733 3.383 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.738 2.483 1.437 1.00 0.00 C ATOM 427 CZ PHE A 27 -8.477 2.542 2.809 1.00 0.00 C ATOM 0 H PHE A 27 -9.686 5.843 -1.413 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.618 6.828 1.319 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.617 5.725 -0.674 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.030 6.611 0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.461 5.782 3.026 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.742 3.566 -0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.814 3.779 4.443 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.093 1.564 0.994 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.631 1.669 3.426 1.00 0.00 H new ATOM 437 N ILE A 28 -8.883 8.737 -1.236 1.00 0.00 N ATOM 438 CA ILE A 28 -8.553 10.115 -1.630 1.00 0.00 C ATOM 439 C ILE A 28 -9.794 11.020 -1.570 1.00 0.00 C ATOM 440 O ILE A 28 -9.907 11.993 -2.321 1.00 0.00 O ATOM 441 CB ILE A 28 -7.964 10.151 -3.054 1.00 0.00 C ATOM 442 CG1 ILE A 28 -6.898 9.062 -3.221 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.309 11.508 -3.323 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.061 8.934 -1.945 1.00 0.00 C ATOM 0 H ILE A 28 -9.192 8.138 -2.002 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.810 10.487 -0.924 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.780 9.983 -3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.375 8.109 -3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.252 9.303 -4.065 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.897 11.520 -4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.054 12.297 -3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.508 11.675 -2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.309 8.157 -2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.568 9.884 -1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.709 8.670 -1.109 1.00 0.00 H new ATOM 456 N GLN A 29 -10.715 10.704 -0.653 1.00 0.00 N ATOM 457 CA GLN A 29 -11.927 11.512 -0.492 1.00 0.00 C ATOM 458 C GLN A 29 -11.569 12.890 0.080 1.00 0.00 C ATOM 459 O GLN A 29 -12.218 13.891 -0.229 1.00 0.00 O ATOM 460 CB GLN A 29 -12.938 10.817 0.435 1.00 0.00 C ATOM 461 CG GLN A 29 -12.269 10.425 1.761 1.00 0.00 C ATOM 462 CD GLN A 29 -13.309 10.415 2.877 1.00 0.00 C ATOM 463 OE1 GLN A 29 -13.932 11.437 3.164 1.00 0.00 O ATOM 464 NE2 GLN A 29 -13.535 9.309 3.534 1.00 0.00 N ATOM 0 H GLN A 29 -10.646 9.907 -0.020 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.384 11.631 -1.474 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.780 11.481 0.628 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.338 9.929 -0.054 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.809 9.441 1.671 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.472 11.129 2.000 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.020 8.461 3.298 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -14.227 9.293 4.283 1.00 0.00 H new ATOM 473 N ASP A 30 -10.515 12.924 0.907 1.00 0.00 N ATOM 474 CA ASP A 30 -10.053 14.173 1.513 1.00 0.00 C ATOM 475 C ASP A 30 -8.543 14.103 1.780 1.00 0.00 C ATOM 476 O ASP A 30 -8.067 14.466 2.860 1.00 0.00 O ATOM 477 CB ASP A 30 -10.801 14.438 2.829 1.00 0.00 C ATOM 478 CG ASP A 30 -10.991 15.941 3.016 1.00 0.00 C ATOM 479 OD1 ASP A 30 -11.964 16.465 2.497 1.00 0.00 O ATOM 480 OD2 ASP A 30 -10.161 16.546 3.677 1.00 0.00 O ATOM 0 H ASP A 30 -9.970 12.102 1.169 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.257 14.990 0.821 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.769 13.938 2.816 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -10.240 14.025 3.667 1.00 0.00 H new ATOM 485 N ALA A 31 -7.794 13.627 0.775 1.00 0.00 N ATOM 486 CA ALA A 31 -6.339 13.504 0.900 1.00 0.00 C ATOM 487 C ALA A 31 -5.669 14.880 0.862 1.00 0.00 C ATOM 488 O ALA A 31 -6.283 15.879 0.478 1.00 0.00 O ATOM 489 CB ALA A 31 -5.779 12.645 -0.235 1.00 0.00 C ATOM 0 H ALA A 31 -8.169 13.324 -0.124 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.126 13.030 1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.697 12.562 -0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.225 11.651 -0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.015 13.108 -1.193 1.00 0.00 H new ATOM 495 N GLU A 32 -4.398 14.915 1.269 1.00 0.00 N ATOM 496 CA GLU A 32 -3.638 16.168 1.286 1.00 0.00 C ATOM 497 C GLU A 32 -3.021 16.453 -0.084 1.00 0.00 C ATOM 498 O GLU A 32 -3.061 17.585 -0.568 1.00 0.00 O ATOM 499 CB GLU A 32 -2.519 16.111 2.334 1.00 0.00 C ATOM 500 CG GLU A 32 -3.120 15.915 3.733 1.00 0.00 C ATOM 501 CD GLU A 32 -3.904 17.160 4.141 1.00 0.00 C ATOM 502 OE1 GLU A 32 -3.276 18.135 4.525 1.00 0.00 O ATOM 503 OE2 GLU A 32 -5.122 17.120 4.066 1.00 0.00 O ATOM 0 H GLU A 32 -3.877 14.098 1.589 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.334 16.968 1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.836 15.293 2.105 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.935 17.031 2.305 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.775 15.044 3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.327 15.721 4.455 1.00 0.00 H new ATOM 510 N ASP A 33 -2.446 15.416 -0.700 1.00 0.00 N ATOM 511 CA ASP A 33 -1.816 15.569 -2.016 1.00 0.00 C ATOM 512 C ASP A 33 -2.374 14.553 -3.026 1.00 0.00 C ATOM 513 O ASP A 33 -1.693 14.179 -3.985 1.00 0.00 O ATOM 514 CB ASP A 33 -0.297 15.385 -1.899 1.00 0.00 C ATOM 515 CG ASP A 33 0.322 16.625 -1.259 1.00 0.00 C ATOM 516 OD1 ASP A 33 0.378 16.675 -0.040 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.731 17.507 -1.996 1.00 0.00 O ATOM 0 H ASP A 33 -2.403 14.472 -0.315 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.040 16.573 -2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.073 14.503 -1.299 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.136 15.218 -2.885 1.00 0.00 H new ATOM 522 N GLY A 34 -3.623 14.116 -2.809 1.00 0.00 N ATOM 523 CA GLY A 34 -4.261 13.151 -3.711 1.00 0.00 C ATOM 524 C GLY A 34 -3.537 11.803 -3.684 1.00 0.00 C ATOM 525 O GLY A 34 -3.193 11.251 -4.730 1.00 0.00 O ATOM 0 H GLY A 34 -4.205 14.412 -2.025 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.303 13.013 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.262 13.545 -4.727 1.00 0.00 H new ATOM 529 N CYS A 35 -3.310 11.286 -2.475 1.00 0.00 N ATOM 530 CA CYS A 35 -2.624 10.001 -2.313 1.00 0.00 C ATOM 531 C CYS A 35 -3.015 9.343 -0.991 1.00 0.00 C ATOM 532 O CYS A 35 -3.634 9.968 -0.126 1.00 0.00 O ATOM 533 CB CYS A 35 -1.098 10.180 -2.343 1.00 0.00 C ATOM 534 SG CYS A 35 -0.657 11.883 -1.907 1.00 0.00 S ATOM 0 H CYS A 35 -3.588 11.732 -1.601 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.928 9.365 -3.144 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.630 9.486 -1.645 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.716 9.941 -3.336 1.00 0.00 H new ATOM 0 HG CYS A 35 0.049 12.407 -2.865 1.00 0.00 H new ATOM 540 N ILE A 36 -2.637 8.072 -0.845 1.00 0.00 N ATOM 541 CA ILE A 36 -2.941 7.323 0.376 1.00 0.00 C ATOM 542 C ILE A 36 -1.688 7.205 1.244 1.00 0.00 C ATOM 543 O ILE A 36 -0.611 7.664 0.862 1.00 0.00 O ATOM 544 CB ILE A 36 -3.466 5.917 0.040 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.429 5.153 -0.795 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.771 6.032 -0.754 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.840 4.011 0.034 1.00 0.00 C ATOM 0 H ILE A 36 -2.124 7.543 -1.550 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.714 7.864 0.922 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.648 5.376 0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.895 4.757 -1.698 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.636 5.829 -1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.142 5.035 -0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.514 6.563 -0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.588 6.580 -1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.104 3.471 -0.562 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.359 4.418 0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.637 3.329 0.332 1.00 0.00 H new ATOM 559 N SER A 37 -1.835 6.583 2.413 1.00 0.00 N ATOM 560 CA SER A 37 -0.702 6.406 3.317 1.00 0.00 C ATOM 561 C SER A 37 -0.047 5.052 3.071 1.00 0.00 C ATOM 562 O SER A 37 -0.730 4.047 2.862 1.00 0.00 O ATOM 563 CB SER A 37 -1.152 6.492 4.778 1.00 0.00 C ATOM 564 OG SER A 37 -0.047 6.875 5.588 1.00 0.00 O ATOM 0 H SER A 37 -2.716 6.198 2.753 1.00 0.00 H new ATOM 0 HA SER A 37 0.016 7.203 3.122 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.960 7.216 4.880 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.543 5.529 5.107 1.00 0.00 H new ATOM 0 HG SER A 37 -0.307 7.625 6.163 1.00 0.00 H new ATOM 570 N THR A 38 1.285 5.034 3.102 1.00 0.00 N ATOM 571 CA THR A 38 2.035 3.791 2.886 1.00 0.00 C ATOM 572 C THR A 38 1.605 2.725 3.899 1.00 0.00 C ATOM 573 O THR A 38 1.446 1.554 3.553 1.00 0.00 O ATOM 574 CB THR A 38 3.545 4.031 3.009 1.00 0.00 C ATOM 575 OG1 THR A 38 3.812 4.812 4.167 1.00 0.00 O ATOM 576 CG2 THR A 38 4.050 4.769 1.766 1.00 0.00 C ATOM 0 H THR A 38 1.865 5.856 3.273 1.00 0.00 H new ATOM 0 HA THR A 38 1.816 3.442 1.877 1.00 0.00 H new ATOM 0 HB THR A 38 4.057 3.072 3.094 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.809 5.762 3.928 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.123 4.939 1.855 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.850 4.167 0.879 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.537 5.727 1.678 1.00 0.00 H new ATOM 584 N LYS A 39 1.398 3.153 5.151 1.00 0.00 N ATOM 585 CA LYS A 39 0.961 2.235 6.208 1.00 0.00 C ATOM 586 C LYS A 39 -0.494 1.796 5.980 1.00 0.00 C ATOM 587 O LYS A 39 -0.906 0.723 6.425 1.00 0.00 O ATOM 588 CB LYS A 39 1.080 2.906 7.586 1.00 0.00 C ATOM 589 CG LYS A 39 0.051 4.038 7.714 1.00 0.00 C ATOM 590 CD LYS A 39 0.464 4.982 8.846 1.00 0.00 C ATOM 591 CE LYS A 39 -0.534 6.140 8.938 1.00 0.00 C ATOM 592 NZ LYS A 39 -1.703 5.731 9.771 1.00 0.00 N ATOM 0 H LYS A 39 1.525 4.119 5.454 1.00 0.00 H new ATOM 0 HA LYS A 39 1.607 1.357 6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.920 2.169 8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.086 3.302 7.720 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.018 4.588 6.775 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.937 3.624 7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.496 4.440 9.791 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.468 5.367 8.665 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.052 7.015 9.375 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.868 6.425 7.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.379 6.519 9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.168 4.909 9.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.378 5.480 10.726 1.00 0.00 H new ATOM 606 N GLU A 40 -1.264 2.642 5.278 1.00 0.00 N ATOM 607 CA GLU A 40 -2.670 2.344 4.989 1.00 0.00 C ATOM 608 C GLU A 40 -2.819 1.373 3.806 1.00 0.00 C ATOM 609 O GLU A 40 -3.941 1.022 3.431 1.00 0.00 O ATOM 610 CB GLU A 40 -3.426 3.637 4.661 1.00 0.00 C ATOM 611 CG GLU A 40 -4.895 3.501 5.075 1.00 0.00 C ATOM 612 CD GLU A 40 -5.417 4.850 5.563 1.00 0.00 C ATOM 613 OE1 GLU A 40 -5.574 5.737 4.739 1.00 0.00 O ATOM 614 OE2 GLU A 40 -5.650 4.977 6.753 1.00 0.00 O ATOM 0 H GLU A 40 -0.936 3.532 4.903 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.088 1.874 5.879 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.969 4.478 5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.358 3.848 3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.490 3.153 4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.993 2.755 5.863 1.00 0.00 H new ATOM 621 N LEU A 41 -1.692 0.937 3.222 1.00 0.00 N ATOM 622 CA LEU A 41 -1.740 0.003 2.092 1.00 0.00 C ATOM 623 C LEU A 41 -2.420 -1.312 2.500 1.00 0.00 C ATOM 624 O LEU A 41 -3.067 -1.962 1.684 1.00 0.00 O ATOM 625 CB LEU A 41 -0.331 -0.296 1.566 1.00 0.00 C ATOM 626 CG LEU A 41 -0.259 -1.324 0.429 1.00 0.00 C ATOM 627 CD1 LEU A 41 -1.202 -0.907 -0.702 1.00 0.00 C ATOM 628 CD2 LEU A 41 1.173 -1.400 -0.106 1.00 0.00 C ATOM 0 H LEU A 41 -0.753 1.212 3.509 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.321 0.476 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.115 0.636 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.280 -0.653 2.395 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.557 -2.301 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.149 -1.639 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.223 -0.857 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.906 0.072 -1.080 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.221 -2.131 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.473 -0.422 -0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.846 -1.701 0.697 1.00 0.00 H new ATOM 640 N GLY A 42 -2.278 -1.688 3.776 1.00 0.00 N ATOM 641 CA GLY A 42 -2.900 -2.918 4.275 1.00 0.00 C ATOM 642 C GLY A 42 -4.427 -2.780 4.350 1.00 0.00 C ATOM 643 O GLY A 42 -5.143 -3.778 4.458 1.00 0.00 O ATOM 0 H GLY A 42 -1.746 -1.167 4.473 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.640 -3.751 3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.505 -3.153 5.263 1.00 0.00 H new ATOM 647 N LYS A 43 -4.919 -1.533 4.294 1.00 0.00 N ATOM 648 CA LYS A 43 -6.355 -1.271 4.359 1.00 0.00 C ATOM 649 C LYS A 43 -7.008 -1.421 2.981 1.00 0.00 C ATOM 650 O LYS A 43 -8.122 -1.935 2.870 1.00 0.00 O ATOM 651 CB LYS A 43 -6.606 0.146 4.879 1.00 0.00 C ATOM 652 CG LYS A 43 -8.029 0.250 5.426 1.00 0.00 C ATOM 653 CD LYS A 43 -8.064 -0.257 6.870 1.00 0.00 C ATOM 654 CE LYS A 43 -9.484 -0.122 7.425 1.00 0.00 C ATOM 655 NZ LYS A 43 -9.444 -0.140 8.915 1.00 0.00 N ATOM 0 H LYS A 43 -4.342 -0.697 4.204 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.796 -2.001 5.038 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.887 0.389 5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.461 0.869 4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.370 1.284 5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.710 -0.335 4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.745 -1.298 6.909 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.367 0.313 7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.935 0.806 7.075 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.107 -0.937 7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.410 -0.048 9.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.030 -1.037 9.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.864 0.653 9.256 1.00 0.00 H new ATOM 669 N VAL A 44 -6.306 -0.970 1.933 1.00 0.00 N ATOM 670 CA VAL A 44 -6.839 -1.067 0.570 1.00 0.00 C ATOM 671 C VAL A 44 -6.894 -2.529 0.119 1.00 0.00 C ATOM 672 O VAL A 44 -7.784 -2.918 -0.639 1.00 0.00 O ATOM 673 CB VAL A 44 -5.996 -0.256 -0.427 1.00 0.00 C ATOM 674 CG1 VAL A 44 -6.137 1.237 -0.125 1.00 0.00 C ATOM 675 CG2 VAL A 44 -4.522 -0.653 -0.321 1.00 0.00 C ATOM 0 H VAL A 44 -5.383 -0.541 2.001 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.847 -0.652 0.586 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.352 -0.464 -1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.538 1.810 -0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.183 1.529 -0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.790 1.438 0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.936 -0.071 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.164 -0.457 0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.414 -1.714 -0.545 1.00 0.00 H new ATOM 685 N MET A 45 -5.939 -3.335 0.605 1.00 0.00 N ATOM 686 CA MET A 45 -5.895 -4.758 0.258 1.00 0.00 C ATOM 687 C MET A 45 -7.176 -5.460 0.712 1.00 0.00 C ATOM 688 O MET A 45 -7.657 -6.377 0.049 1.00 0.00 O ATOM 689 CB MET A 45 -4.695 -5.459 0.917 1.00 0.00 C ATOM 690 CG MET A 45 -3.400 -4.690 0.630 1.00 0.00 C ATOM 691 SD MET A 45 -2.555 -5.431 -0.787 1.00 0.00 S ATOM 692 CE MET A 45 -3.764 -4.931 -2.034 1.00 0.00 C ATOM 0 H MET A 45 -5.196 -3.028 1.232 1.00 0.00 H new ATOM 0 HA MET A 45 -5.797 -4.822 -0.826 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.853 -5.528 1.993 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.610 -6.479 0.541 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.625 -3.643 0.425 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.751 -4.712 1.505 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.259 -4.771 -2.987 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.514 -5.714 -2.148 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.249 -4.007 -1.720 1.00 0.00 H new ATOM 702 N ARG A 46 -7.724 -5.011 1.844 1.00 0.00 N ATOM 703 CA ARG A 46 -8.959 -5.601 2.378 1.00 0.00 C ATOM 704 C ARG A 46 -10.110 -5.446 1.378 1.00 0.00 C ATOM 705 O ARG A 46 -10.921 -6.357 1.203 1.00 0.00 O ATOM 706 CB ARG A 46 -9.356 -4.931 3.700 1.00 0.00 C ATOM 707 CG ARG A 46 -8.663 -5.640 4.868 1.00 0.00 C ATOM 708 CD ARG A 46 -8.688 -4.736 6.105 1.00 0.00 C ATOM 709 NE ARG A 46 -9.005 -5.506 7.311 1.00 0.00 N ATOM 710 CZ ARG A 46 -9.293 -4.906 8.476 1.00 0.00 C ATOM 711 NH1 ARG A 46 -9.292 -3.597 8.574 1.00 0.00 N ATOM 712 NH2 ARG A 46 -9.574 -5.633 9.526 1.00 0.00 N ATOM 0 H ARG A 46 -7.340 -4.250 2.404 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.768 -6.660 2.552 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.075 -3.878 3.683 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.438 -4.971 3.828 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.165 -6.583 5.084 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.634 -5.881 4.602 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.720 -4.249 6.224 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.427 -3.947 5.968 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.007 -6.525 7.263 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.071 -3.025 7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.513 -3.152 9.465 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.573 -6.651 9.457 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.794 -5.182 10.414 1.00 0.00 H new ATOM 726 N MET A 47 -10.167 -4.280 0.724 1.00 0.00 N ATOM 727 CA MET A 47 -11.218 -4.005 -0.261 1.00 0.00 C ATOM 728 C MET A 47 -10.896 -4.653 -1.611 1.00 0.00 C ATOM 729 O MET A 47 -11.796 -5.113 -2.317 1.00 0.00 O ATOM 730 CB MET A 47 -11.378 -2.493 -0.465 1.00 0.00 C ATOM 731 CG MET A 47 -12.281 -1.915 0.628 1.00 0.00 C ATOM 732 SD MET A 47 -11.304 -1.595 2.118 1.00 0.00 S ATOM 733 CE MET A 47 -11.397 0.212 2.070 1.00 0.00 C ATOM 0 H MET A 47 -9.503 -3.517 0.858 1.00 0.00 H new ATOM 0 HA MET A 47 -12.145 -4.428 0.125 1.00 0.00 H new ATOM 0 HB2 MET A 47 -10.402 -2.008 -0.438 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.806 -2.293 -1.447 1.00 0.00 H new ATOM 0 HG2 MET A 47 -12.745 -0.992 0.280 1.00 0.00 H new ATOM 0 HG3 MET A 47 -13.088 -2.612 0.853 1.00 0.00 H new ATOM 0 HE1 MET A 47 -10.895 0.626 2.945 1.00 0.00 H new ATOM 0 HE2 MET A 47 -10.910 0.578 1.166 1.00 0.00 H new ATOM 0 HE3 MET A 47 -12.442 0.523 2.070 1.00 0.00 H new ATOM 743 N LEU A 48 -9.606 -4.679 -1.965 1.00 0.00 N ATOM 744 CA LEU A 48 -9.172 -5.265 -3.238 1.00 0.00 C ATOM 745 C LEU A 48 -9.327 -6.790 -3.217 1.00 0.00 C ATOM 746 O LEU A 48 -10.054 -7.361 -4.032 1.00 0.00 O ATOM 747 CB LEU A 48 -7.707 -4.907 -3.519 1.00 0.00 C ATOM 748 CG LEU A 48 -7.368 -4.617 -4.986 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.098 -3.351 -5.448 1.00 0.00 C ATOM 750 CD2 LEU A 48 -5.856 -4.413 -5.122 1.00 0.00 C ATOM 0 H LEU A 48 -8.850 -4.304 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.803 -4.856 -4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.444 -4.032 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.078 -5.728 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.684 -5.457 -5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.853 -3.150 -6.491 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.174 -3.495 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.787 -2.507 -4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.609 -4.206 -6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.545 -3.572 -4.502 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.337 -5.315 -4.798 1.00 0.00 H new ATOM 762 N GLY A 49 -8.638 -7.437 -2.272 1.00 0.00 N ATOM 763 CA GLY A 49 -8.704 -8.896 -2.143 1.00 0.00 C ATOM 764 C GLY A 49 -7.360 -9.472 -1.695 1.00 0.00 C ATOM 765 O GLY A 49 -6.833 -10.399 -2.312 1.00 0.00 O ATOM 0 H GLY A 49 -8.033 -6.978 -1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.477 -9.166 -1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.991 -9.336 -3.098 1.00 0.00 H new ATOM 769 N GLN A 50 -6.816 -8.910 -0.611 1.00 0.00 N ATOM 770 CA GLN A 50 -5.530 -9.363 -0.071 1.00 0.00 C ATOM 771 C GLN A 50 -5.424 -9.017 1.415 1.00 0.00 C ATOM 772 O GLN A 50 -6.142 -8.148 1.916 1.00 0.00 O ATOM 773 CB GLN A 50 -4.368 -8.697 -0.819 1.00 0.00 C ATOM 774 CG GLN A 50 -3.920 -9.590 -1.979 1.00 0.00 C ATOM 775 CD GLN A 50 -2.612 -9.057 -2.558 1.00 0.00 C ATOM 776 OE1 GLN A 50 -2.562 -7.937 -3.070 1.00 0.00 O ATOM 777 NE2 GLN A 50 -1.537 -9.799 -2.511 1.00 0.00 N ATOM 0 H GLN A 50 -7.244 -8.143 -0.092 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.474 -10.444 -0.200 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.677 -7.722 -1.196 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.535 -8.525 -0.137 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.785 -10.614 -1.632 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.689 -9.614 -2.751 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.575 -10.726 -2.088 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.660 -9.451 -2.897 1.00 0.00 H new ATOM 786 N ASN A 51 -4.519 -9.704 2.114 1.00 0.00 N ATOM 787 CA ASN A 51 -4.326 -9.459 3.544 1.00 0.00 C ATOM 788 C ASN A 51 -2.910 -9.864 3.976 1.00 0.00 C ATOM 789 O ASN A 51 -2.701 -10.938 4.546 1.00 0.00 O ATOM 790 CB ASN A 51 -5.363 -10.240 4.364 1.00 0.00 C ATOM 791 CG ASN A 51 -5.594 -9.542 5.703 1.00 0.00 C ATOM 792 OD1 ASN A 51 -5.877 -8.343 5.746 1.00 0.00 O ATOM 793 ND2 ASN A 51 -5.495 -10.227 6.811 1.00 0.00 N ATOM 0 H ASN A 51 -3.915 -10.425 1.720 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.457 -8.393 3.727 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.301 -10.308 3.812 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.016 -11.260 4.530 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.652 -9.770 7.709 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.261 -11.219 6.778 1.00 0.00 H new ATOM 800 N PRO A 52 -1.923 -8.999 3.703 1.00 0.00 N ATOM 801 CA PRO A 52 -0.514 -9.256 4.061 1.00 0.00 C ATOM 802 C PRO A 52 -0.188 -8.874 5.508 1.00 0.00 C ATOM 803 O PRO A 52 -1.083 -8.623 6.319 1.00 0.00 O ATOM 804 CB PRO A 52 0.232 -8.346 3.088 1.00 0.00 C ATOM 805 CG PRO A 52 -0.729 -7.233 2.692 1.00 0.00 C ATOM 806 CD PRO A 52 -2.150 -7.710 3.016 1.00 0.00 C ATOM 0 HA PRO A 52 -0.252 -10.312 3.994 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.127 -7.935 3.554 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.558 -8.904 2.210 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.499 -6.317 3.236 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.634 -7.005 1.630 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.678 -7.001 3.654 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.749 -7.834 2.114 1.00 0.00 H new ATOM 814 N THR A 53 1.110 -8.830 5.812 1.00 0.00 N ATOM 815 CA THR A 53 1.578 -8.471 7.153 1.00 0.00 C ATOM 816 C THR A 53 2.155 -7.050 7.132 1.00 0.00 C ATOM 817 O THR A 53 2.265 -6.440 6.066 1.00 0.00 O ATOM 818 CB THR A 53 2.663 -9.459 7.618 1.00 0.00 C ATOM 819 OG1 THR A 53 3.905 -9.133 7.007 1.00 0.00 O ATOM 820 CG2 THR A 53 2.269 -10.884 7.229 1.00 0.00 C ATOM 0 H THR A 53 1.856 -9.038 5.149 1.00 0.00 H new ATOM 0 HA THR A 53 0.737 -8.515 7.845 1.00 0.00 H new ATOM 0 HB THR A 53 2.761 -9.392 8.702 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.499 -9.912 7.038 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.041 -11.578 7.561 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.321 -11.142 7.702 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.163 -10.950 6.146 1.00 0.00 H new ATOM 828 N PRO A 54 2.545 -6.509 8.293 1.00 0.00 N ATOM 829 CA PRO A 54 3.128 -5.154 8.361 1.00 0.00 C ATOM 830 C PRO A 54 4.559 -5.104 7.822 1.00 0.00 C ATOM 831 O PRO A 54 5.002 -4.079 7.303 1.00 0.00 O ATOM 832 CB PRO A 54 3.079 -4.845 9.853 1.00 0.00 C ATOM 833 CG PRO A 54 3.028 -6.182 10.580 1.00 0.00 C ATOM 834 CD PRO A 54 2.444 -7.201 9.598 1.00 0.00 C ATOM 0 HA PRO A 54 2.590 -4.432 7.747 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.955 -4.273 10.158 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.204 -4.241 10.094 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.024 -6.484 10.903 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.411 -6.111 11.476 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.007 -8.134 9.604 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.412 -7.450 9.843 1.00 0.00 H new ATOM 842 N GLU A 55 5.271 -6.231 7.940 1.00 0.00 N ATOM 843 CA GLU A 55 6.648 -6.312 7.447 1.00 0.00 C ATOM 844 C GLU A 55 6.672 -6.629 5.947 1.00 0.00 C ATOM 845 O GLU A 55 7.552 -6.164 5.220 1.00 0.00 O ATOM 846 CB GLU A 55 7.446 -7.382 8.209 1.00 0.00 C ATOM 847 CG GLU A 55 6.758 -8.749 8.102 1.00 0.00 C ATOM 848 CD GLU A 55 7.675 -9.829 8.669 1.00 0.00 C ATOM 849 OE1 GLU A 55 7.655 -10.025 9.873 1.00 0.00 O ATOM 850 OE2 GLU A 55 8.384 -10.445 7.890 1.00 0.00 O ATOM 0 H GLU A 55 4.921 -7.089 8.367 1.00 0.00 H new ATOM 0 HA GLU A 55 7.113 -5.340 7.614 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.457 -7.445 7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.538 -7.097 9.257 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.814 -8.736 8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.522 -8.968 7.061 1.00 0.00 H new ATOM 857 N GLU A 56 5.694 -7.424 5.495 1.00 0.00 N ATOM 858 CA GLU A 56 5.610 -7.800 4.081 1.00 0.00 C ATOM 859 C GLU A 56 5.126 -6.620 3.239 1.00 0.00 C ATOM 860 O GLU A 56 5.742 -6.276 2.228 1.00 0.00 O ATOM 861 CB GLU A 56 4.658 -8.985 3.890 1.00 0.00 C ATOM 862 CG GLU A 56 5.355 -10.279 4.317 1.00 0.00 C ATOM 863 CD GLU A 56 6.295 -10.747 3.208 1.00 0.00 C ATOM 864 OE1 GLU A 56 5.830 -11.439 2.316 1.00 0.00 O ATOM 865 OE2 GLU A 56 7.466 -10.407 3.267 1.00 0.00 O ATOM 0 H GLU A 56 4.957 -7.815 6.082 1.00 0.00 H new ATOM 0 HA GLU A 56 6.608 -8.089 3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.753 -8.836 4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.351 -9.053 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.916 -10.115 5.237 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.614 -11.050 4.528 1.00 0.00 H new ATOM 872 N LEU A 57 4.021 -5.996 3.669 1.00 0.00 N ATOM 873 CA LEU A 57 3.470 -4.845 2.949 1.00 0.00 C ATOM 874 C LEU A 57 4.496 -3.704 2.894 1.00 0.00 C ATOM 875 O LEU A 57 4.517 -2.925 1.941 1.00 0.00 O ATOM 876 CB LEU A 57 2.169 -4.362 3.619 1.00 0.00 C ATOM 877 CG LEU A 57 2.118 -2.881 4.019 1.00 0.00 C ATOM 878 CD1 LEU A 57 0.660 -2.425 4.100 1.00 0.00 C ATOM 879 CD2 LEU A 57 2.787 -2.689 5.384 1.00 0.00 C ATOM 0 H LEU A 57 3.498 -6.266 4.502 1.00 0.00 H new ATOM 0 HA LEU A 57 3.241 -5.155 1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.340 -4.561 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.001 -4.963 4.512 1.00 0.00 H new ATOM 0 HG LEU A 57 2.646 -2.289 3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.623 -1.373 4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.183 -2.555 3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.133 -3.021 4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.748 -1.636 5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.263 -3.283 6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.827 -3.011 5.328 1.00 0.00 H new ATOM 891 N GLN A 58 5.346 -3.620 3.928 1.00 0.00 N ATOM 892 CA GLN A 58 6.373 -2.576 3.987 1.00 0.00 C ATOM 893 C GLN A 58 7.294 -2.649 2.767 1.00 0.00 C ATOM 894 O GLN A 58 7.669 -1.622 2.200 1.00 0.00 O ATOM 895 CB GLN A 58 7.220 -2.714 5.260 1.00 0.00 C ATOM 896 CG GLN A 58 7.234 -1.384 6.021 1.00 0.00 C ATOM 897 CD GLN A 58 7.858 -0.295 5.149 1.00 0.00 C ATOM 898 OE1 GLN A 58 9.079 -0.135 5.125 1.00 0.00 O ATOM 899 NE2 GLN A 58 7.086 0.472 4.426 1.00 0.00 N ATOM 0 H GLN A 58 5.342 -4.256 4.725 1.00 0.00 H new ATOM 0 HA GLN A 58 5.860 -1.614 3.996 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.814 -3.502 5.894 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.238 -3.006 5.001 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.218 -1.103 6.299 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.800 -1.490 6.947 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.075 0.341 4.445 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.495 1.202 3.843 1.00 0.00 H new ATOM 908 N GLU A 59 7.645 -3.875 2.363 1.00 0.00 N ATOM 909 CA GLU A 59 8.514 -4.069 1.199 1.00 0.00 C ATOM 910 C GLU A 59 7.840 -3.523 -0.057 1.00 0.00 C ATOM 911 O GLU A 59 8.478 -2.860 -0.875 1.00 0.00 O ATOM 912 CB GLU A 59 8.826 -5.555 0.992 1.00 0.00 C ATOM 913 CG GLU A 59 9.719 -6.061 2.129 1.00 0.00 C ATOM 914 CD GLU A 59 10.143 -7.498 1.843 1.00 0.00 C ATOM 915 OE1 GLU A 59 11.171 -7.676 1.208 1.00 0.00 O ATOM 916 OE2 GLU A 59 9.436 -8.398 2.263 1.00 0.00 O ATOM 0 H GLU A 59 7.345 -4.737 2.818 1.00 0.00 H new ATOM 0 HA GLU A 59 9.445 -3.532 1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.900 -6.130 0.961 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.324 -5.701 0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.598 -5.424 2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.183 -6.011 3.077 1.00 0.00 H new ATOM 923 N MET A 60 6.536 -3.799 -0.189 1.00 0.00 N ATOM 924 CA MET A 60 5.767 -3.323 -1.341 1.00 0.00 C ATOM 925 C MET A 60 5.805 -1.794 -1.418 1.00 0.00 C ATOM 926 O MET A 60 5.909 -1.224 -2.504 1.00 0.00 O ATOM 927 CB MET A 60 4.306 -3.781 -1.244 1.00 0.00 C ATOM 928 CG MET A 60 4.225 -5.296 -1.448 1.00 0.00 C ATOM 929 SD MET A 60 2.658 -5.911 -0.781 1.00 0.00 S ATOM 930 CE MET A 60 1.632 -5.547 -2.227 1.00 0.00 C ATOM 0 H MET A 60 5.997 -4.345 0.483 1.00 0.00 H new ATOM 0 HA MET A 60 6.219 -3.744 -2.239 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.895 -3.513 -0.271 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.704 -3.271 -1.996 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.300 -5.536 -2.509 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.062 -5.786 -0.950 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.590 -5.770 -1.999 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.730 -4.493 -2.486 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.958 -6.159 -3.068 1.00 0.00 H new ATOM 940 N ILE A 61 5.720 -1.143 -0.249 1.00 0.00 N ATOM 941 CA ILE A 61 5.745 0.319 -0.172 1.00 0.00 C ATOM 942 C ILE A 61 6.965 0.884 -0.903 1.00 0.00 C ATOM 943 O ILE A 61 6.832 1.496 -1.960 1.00 0.00 O ATOM 944 CB ILE A 61 5.777 0.767 1.299 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.450 0.415 1.993 1.00 0.00 C ATOM 946 CG2 ILE A 61 6.017 2.275 1.379 1.00 0.00 C ATOM 947 CD1 ILE A 61 3.265 0.753 1.084 1.00 0.00 C ATOM 0 H ILE A 61 5.633 -1.609 0.654 1.00 0.00 H new ATOM 0 HA ILE A 61 4.843 0.700 -0.652 1.00 0.00 H new ATOM 0 HB ILE A 61 6.589 0.246 1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.433 -0.646 2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.366 0.965 2.930 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.038 2.585 2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.970 2.517 0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.214 2.799 0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.334 0.498 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.274 1.819 0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.343 0.183 0.158 1.00 0.00 H new ATOM 959 N ASP A 62 8.150 0.680 -0.319 1.00 0.00 N ATOM 960 CA ASP A 62 9.396 1.180 -0.915 1.00 0.00 C ATOM 961 C ASP A 62 9.586 0.659 -2.345 1.00 0.00 C ATOM 962 O ASP A 62 10.157 1.350 -3.191 1.00 0.00 O ATOM 963 CB ASP A 62 10.605 0.755 -0.071 1.00 0.00 C ATOM 964 CG ASP A 62 11.791 1.666 -0.377 1.00 0.00 C ATOM 965 OD1 ASP A 62 11.859 2.736 0.206 1.00 0.00 O ATOM 966 OD2 ASP A 62 12.615 1.280 -1.191 1.00 0.00 O ATOM 0 H ASP A 62 8.274 0.176 0.559 1.00 0.00 H new ATOM 0 HA ASP A 62 9.324 2.267 -0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.357 0.808 0.989 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.865 -0.281 -0.286 1.00 0.00 H new ATOM 971 N GLU A 63 9.111 -0.565 -2.604 1.00 0.00 N ATOM 972 CA GLU A 63 9.245 -1.169 -3.935 1.00 0.00 C ATOM 973 C GLU A 63 8.525 -0.343 -5.007 1.00 0.00 C ATOM 974 O GLU A 63 8.985 -0.262 -6.148 1.00 0.00 O ATOM 975 CB GLU A 63 8.665 -2.587 -3.944 1.00 0.00 C ATOM 976 CG GLU A 63 9.755 -3.595 -3.575 1.00 0.00 C ATOM 977 CD GLU A 63 9.191 -5.009 -3.674 1.00 0.00 C ATOM 978 OE1 GLU A 63 8.585 -5.454 -2.711 1.00 0.00 O ATOM 979 OE2 GLU A 63 9.373 -5.627 -4.711 1.00 0.00 O ATOM 0 H GLU A 63 8.635 -1.151 -1.918 1.00 0.00 H new ATOM 0 HA GLU A 63 10.310 -1.197 -4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.838 -2.656 -3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.261 -2.818 -4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.609 -3.485 -4.243 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.115 -3.405 -2.564 1.00 0.00 H new ATOM 986 N VAL A 64 7.384 0.248 -4.639 1.00 0.00 N ATOM 987 CA VAL A 64 6.602 1.040 -5.595 1.00 0.00 C ATOM 988 C VAL A 64 6.737 2.551 -5.355 1.00 0.00 C ATOM 989 O VAL A 64 6.384 3.346 -6.229 1.00 0.00 O ATOM 990 CB VAL A 64 5.118 0.658 -5.520 1.00 0.00 C ATOM 991 CG1 VAL A 64 4.968 -0.860 -5.659 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.533 1.111 -4.176 1.00 0.00 C ATOM 0 H VAL A 64 6.986 0.195 -3.702 1.00 0.00 H new ATOM 0 HA VAL A 64 7.002 0.815 -6.584 1.00 0.00 H new ATOM 0 HB VAL A 64 4.581 1.150 -6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.913 -1.128 -5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.375 -1.180 -6.618 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.509 -1.354 -4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.479 0.838 -4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.072 0.625 -3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.632 2.192 -4.082 1.00 0.00 H new ATOM 1002 N ASP A 65 7.232 2.946 -4.175 1.00 0.00 N ATOM 1003 CA ASP A 65 7.380 4.368 -3.868 1.00 0.00 C ATOM 1004 C ASP A 65 8.501 4.964 -4.721 1.00 0.00 C ATOM 1005 O ASP A 65 9.677 4.931 -4.351 1.00 0.00 O ATOM 1006 CB ASP A 65 7.696 4.577 -2.381 1.00 0.00 C ATOM 1007 CG ASP A 65 6.889 5.760 -1.842 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.017 6.844 -2.384 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.149 5.560 -0.891 1.00 0.00 O ATOM 0 H ASP A 65 7.530 2.313 -3.433 1.00 0.00 H new ATOM 0 HA ASP A 65 6.439 4.870 -4.094 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.456 3.675 -1.818 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.762 4.761 -2.249 1.00 0.00 H new ATOM 1014 N GLU A 66 8.112 5.487 -5.884 1.00 0.00 N ATOM 1015 CA GLU A 66 9.071 6.075 -6.826 1.00 0.00 C ATOM 1016 C GLU A 66 9.747 7.316 -6.240 1.00 0.00 C ATOM 1017 O GLU A 66 10.963 7.481 -6.357 1.00 0.00 O ATOM 1018 CB GLU A 66 8.366 6.461 -8.130 1.00 0.00 C ATOM 1019 CG GLU A 66 7.958 5.194 -8.891 1.00 0.00 C ATOM 1020 CD GLU A 66 9.119 4.715 -9.760 1.00 0.00 C ATOM 1021 OE1 GLU A 66 9.928 3.947 -9.263 1.00 0.00 O ATOM 1022 OE2 GLU A 66 9.182 5.120 -10.908 1.00 0.00 O ATOM 0 H GLU A 66 7.142 5.517 -6.198 1.00 0.00 H new ATOM 0 HA GLU A 66 9.834 5.322 -7.023 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.486 7.066 -7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.028 7.070 -8.746 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.672 4.412 -8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.086 5.397 -9.513 1.00 0.00 H new ATOM 1029 N ASP A 67 8.951 8.190 -5.618 1.00 0.00 N ATOM 1030 CA ASP A 67 9.495 9.421 -5.028 1.00 0.00 C ATOM 1031 C ASP A 67 10.062 9.167 -3.626 1.00 0.00 C ATOM 1032 O ASP A 67 11.073 9.760 -3.243 1.00 0.00 O ATOM 1033 CB ASP A 67 8.431 10.536 -4.951 1.00 0.00 C ATOM 1034 CG ASP A 67 7.057 9.965 -4.595 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.847 9.656 -3.434 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.233 9.854 -5.490 1.00 0.00 O ATOM 0 H ASP A 67 7.943 8.074 -5.509 1.00 0.00 H new ATOM 0 HA ASP A 67 10.301 9.749 -5.685 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.726 11.273 -4.204 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.375 11.056 -5.907 1.00 0.00 H new ATOM 1041 N GLY A 68 9.402 8.288 -2.863 1.00 0.00 N ATOM 1042 CA GLY A 68 9.848 7.974 -1.504 1.00 0.00 C ATOM 1043 C GLY A 68 9.553 9.141 -0.565 1.00 0.00 C ATOM 1044 O GLY A 68 10.424 9.586 0.185 1.00 0.00 O ATOM 0 H GLY A 68 8.565 7.787 -3.161 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.344 7.076 -1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.917 7.761 -1.505 1.00 0.00 H new ATOM 1048 N SER A 69 8.315 9.636 -0.630 1.00 0.00 N ATOM 1049 CA SER A 69 7.902 10.765 0.204 1.00 0.00 C ATOM 1050 C SER A 69 7.261 10.287 1.509 1.00 0.00 C ATOM 1051 O SER A 69 7.620 10.749 2.595 1.00 0.00 O ATOM 1052 CB SER A 69 6.901 11.644 -0.555 1.00 0.00 C ATOM 1053 OG SER A 69 5.816 10.844 -1.017 1.00 0.00 O ATOM 0 H SER A 69 7.587 9.276 -1.247 1.00 0.00 H new ATOM 0 HA SER A 69 8.795 11.342 0.444 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.531 12.436 0.096 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.393 12.129 -1.398 1.00 0.00 H new ATOM 0 HG SER A 69 6.067 10.406 -1.857 1.00 0.00 H new ATOM 1059 N GLY A 70 6.302 9.367 1.388 1.00 0.00 N ATOM 1060 CA GLY A 70 5.597 8.833 2.557 1.00 0.00 C ATOM 1061 C GLY A 70 4.179 8.398 2.181 1.00 0.00 C ATOM 1062 O GLY A 70 3.608 7.500 2.802 1.00 0.00 O ATOM 0 H GLY A 70 5.996 8.977 0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.147 7.984 2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.555 9.590 3.340 1.00 0.00 H new ATOM 1066 N THR A 71 3.622 9.047 1.152 1.00 0.00 N ATOM 1067 CA THR A 71 2.275 8.729 0.681 1.00 0.00 C ATOM 1068 C THR A 71 2.350 7.982 -0.650 1.00 0.00 C ATOM 1069 O THR A 71 3.292 8.164 -1.424 1.00 0.00 O ATOM 1070 CB THR A 71 1.458 10.013 0.487 1.00 0.00 C ATOM 1071 OG1 THR A 71 2.080 10.830 -0.500 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.388 10.779 1.808 1.00 0.00 C ATOM 0 H THR A 71 4.084 9.793 0.633 1.00 0.00 H new ATOM 0 HA THR A 71 1.790 8.102 1.429 1.00 0.00 H new ATOM 0 HB THR A 71 0.450 9.754 0.162 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.392 11.254 -1.054 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.807 11.691 1.669 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.911 10.156 2.565 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.396 11.036 2.133 1.00 0.00 H new ATOM 1080 N VAL A 72 1.345 7.145 -0.907 1.00 0.00 N ATOM 1081 CA VAL A 72 1.306 6.379 -2.151 1.00 0.00 C ATOM 1082 C VAL A 72 0.307 7.000 -3.122 1.00 0.00 C ATOM 1083 O VAL A 72 -0.893 7.057 -2.850 1.00 0.00 O ATOM 1084 CB VAL A 72 0.908 4.922 -1.889 1.00 0.00 C ATOM 1085 CG1 VAL A 72 1.079 4.108 -3.175 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.801 4.333 -0.791 1.00 0.00 C ATOM 0 H VAL A 72 0.557 6.982 -0.280 1.00 0.00 H new ATOM 0 HA VAL A 72 2.306 6.401 -2.585 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.133 4.884 -1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.796 3.072 -2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.443 4.524 -3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.120 4.148 -3.495 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.516 3.297 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.843 4.371 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.680 4.911 0.125 1.00 0.00 H new ATOM 1096 N ASP A 73 0.818 7.453 -4.266 1.00 0.00 N ATOM 1097 CA ASP A 73 -0.035 8.058 -5.288 1.00 0.00 C ATOM 1098 C ASP A 73 -0.631 6.963 -6.169 1.00 0.00 C ATOM 1099 O ASP A 73 -0.306 5.785 -6.014 1.00 0.00 O ATOM 1100 CB ASP A 73 0.769 9.025 -6.165 1.00 0.00 C ATOM 1101 CG ASP A 73 1.368 10.135 -5.302 1.00 0.00 C ATOM 1102 OD1 ASP A 73 0.667 11.100 -5.043 1.00 0.00 O ATOM 1103 OD2 ASP A 73 2.518 10.003 -4.916 1.00 0.00 O ATOM 0 H ASP A 73 1.808 7.414 -4.507 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.830 8.612 -4.789 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.563 8.486 -6.682 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.125 9.456 -6.931 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.506 7.357 -7.095 1.00 0.00 N ATOM 1109 CA PHE A 74 -2.133 6.385 -7.993 1.00 0.00 C ATOM 1110 C PHE A 74 -1.079 5.717 -8.880 1.00 0.00 C ATOM 1111 O PHE A 74 -1.187 4.533 -9.196 1.00 0.00 O ATOM 1112 CB PHE A 74 -3.193 7.057 -8.876 1.00 0.00 C ATOM 1113 CG PHE A 74 -4.151 6.016 -9.415 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.615 4.983 -8.587 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.575 6.088 -10.745 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.501 4.026 -9.091 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.463 5.130 -11.249 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.925 4.098 -10.423 1.00 0.00 C ATOM 0 H PHE A 74 -1.793 8.325 -7.242 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.618 5.628 -7.377 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.740 7.803 -8.299 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.712 7.582 -9.701 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.288 4.927 -7.559 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.218 6.882 -11.384 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.858 3.231 -8.453 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.792 5.187 -12.276 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.608 3.358 -10.813 1.00 0.00 H new ATOM 1128 N ASP A 75 -0.050 6.484 -9.258 1.00 0.00 N ATOM 1129 CA ASP A 75 1.029 5.947 -10.090 1.00 0.00 C ATOM 1130 C ASP A 75 1.807 4.883 -9.318 1.00 0.00 C ATOM 1131 O ASP A 75 2.171 3.844 -9.869 1.00 0.00 O ATOM 1132 CB ASP A 75 1.987 7.062 -10.516 1.00 0.00 C ATOM 1133 CG ASP A 75 1.495 7.677 -11.821 1.00 0.00 C ATOM 1134 OD1 ASP A 75 0.620 8.525 -11.762 1.00 0.00 O ATOM 1135 OD2 ASP A 75 1.998 7.287 -12.863 1.00 0.00 O ATOM 0 H ASP A 75 0.057 7.466 -9.004 1.00 0.00 H new ATOM 0 HA ASP A 75 0.583 5.501 -10.979 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.044 7.825 -9.740 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.993 6.663 -10.645 1.00 0.00 H new ATOM 1140 N GLU A 76 2.035 5.151 -8.028 1.00 0.00 N ATOM 1141 CA GLU A 76 2.751 4.208 -7.161 1.00 0.00 C ATOM 1142 C GLU A 76 1.824 3.054 -6.754 1.00 0.00 C ATOM 1143 O GLU A 76 2.280 1.976 -6.371 1.00 0.00 O ATOM 1144 CB GLU A 76 3.257 4.914 -5.895 1.00 0.00 C ATOM 1145 CG GLU A 76 3.778 6.312 -6.248 1.00 0.00 C ATOM 1146 CD GLU A 76 4.463 6.937 -5.033 1.00 0.00 C ATOM 1147 OE1 GLU A 76 3.760 7.390 -4.147 1.00 0.00 O ATOM 1148 OE2 GLU A 76 5.682 6.960 -5.008 1.00 0.00 O ATOM 0 H GLU A 76 1.736 6.008 -7.563 1.00 0.00 H new ATOM 0 HA GLU A 76 3.602 3.816 -7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.452 4.991 -5.165 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.051 4.327 -5.434 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.481 6.248 -7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.953 6.944 -6.576 1.00 0.00 H new ATOM 1155 N PHE A 77 0.513 3.304 -6.843 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.497 2.303 -6.492 1.00 0.00 C ATOM 1157 C PHE A 77 -0.662 1.271 -7.617 1.00 0.00 C ATOM 1158 O PHE A 77 -0.780 0.071 -7.358 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.842 2.998 -6.229 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.881 1.998 -5.773 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -2.846 1.491 -4.467 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.884 1.586 -6.658 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -3.815 0.571 -4.049 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.854 0.666 -6.239 1.00 0.00 C ATOM 1165 CZ PHE A 77 -4.818 0.158 -4.934 1.00 0.00 C ATOM 0 H PHE A 77 0.127 4.195 -7.156 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.168 1.783 -5.593 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.716 3.770 -5.470 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.183 3.496 -7.137 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.073 1.810 -3.784 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.910 1.977 -7.664 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.789 0.180 -3.043 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.629 0.349 -6.921 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.564 -0.553 -4.611 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.687 1.755 -8.864 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.859 0.876 -10.027 1.00 0.00 C ATOM 1177 C LEU A 78 0.405 0.064 -10.333 1.00 0.00 C ATOM 1178 O LEU A 78 0.315 -1.069 -10.815 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.212 1.704 -11.260 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.557 2.434 -11.197 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.439 3.771 -11.927 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.639 1.579 -11.864 1.00 0.00 C ATOM 0 H LEU A 78 -0.591 2.744 -9.093 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.664 0.183 -9.783 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.425 2.441 -11.420 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.215 1.047 -12.130 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.829 2.608 -10.156 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.394 4.294 -11.885 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.671 4.379 -11.450 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.168 3.595 -12.968 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.595 2.101 -11.818 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.372 1.402 -12.906 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.721 0.625 -11.344 1.00 0.00 H new ATOM 1194 N VAL A 79 1.581 0.647 -10.063 1.00 0.00 N ATOM 1195 CA VAL A 79 2.850 -0.051 -10.334 1.00 0.00 C ATOM 1196 C VAL A 79 2.959 -1.347 -9.527 1.00 0.00 C ATOM 1197 O VAL A 79 3.659 -2.270 -9.927 1.00 0.00 O ATOM 1198 CB VAL A 79 4.067 0.826 -10.017 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.209 1.916 -11.082 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.915 1.472 -8.639 1.00 0.00 C ATOM 0 H VAL A 79 1.683 1.581 -9.665 1.00 0.00 H new ATOM 0 HA VAL A 79 2.846 -0.282 -11.399 1.00 0.00 H new ATOM 0 HB VAL A 79 4.959 0.199 -10.015 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.075 2.537 -10.853 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.342 1.454 -12.060 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.311 2.534 -11.092 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.787 2.091 -8.429 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.018 2.091 -8.624 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.831 0.694 -7.880 1.00 0.00 H new ATOM 1210 N MET A 80 2.262 -1.400 -8.391 1.00 0.00 N ATOM 1211 CA MET A 80 2.278 -2.589 -7.526 1.00 0.00 C ATOM 1212 C MET A 80 2.070 -3.884 -8.326 1.00 0.00 C ATOM 1213 O MET A 80 2.609 -4.934 -7.972 1.00 0.00 O ATOM 1214 CB MET A 80 1.174 -2.484 -6.471 1.00 0.00 C ATOM 1215 CG MET A 80 1.724 -1.822 -5.206 1.00 0.00 C ATOM 1216 SD MET A 80 0.386 -0.950 -4.350 1.00 0.00 S ATOM 1217 CE MET A 80 -0.561 -2.409 -3.851 1.00 0.00 C ATOM 0 H MET A 80 1.679 -0.637 -8.046 1.00 0.00 H new ATOM 0 HA MET A 80 3.259 -2.628 -7.052 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.339 -1.903 -6.862 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.789 -3.476 -6.235 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.161 -2.575 -4.549 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.520 -1.124 -5.465 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.555 -2.103 -3.524 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.651 -3.091 -4.697 1.00 0.00 H new ATOM 0 HE3 MET A 80 -0.048 -2.913 -3.032 1.00 0.00 H new ATOM 1227 N MET A 81 1.281 -3.801 -9.401 1.00 0.00 N ATOM 1228 CA MET A 81 1.010 -4.976 -10.236 1.00 0.00 C ATOM 1229 C MET A 81 2.163 -5.242 -11.211 1.00 0.00 C ATOM 1230 O MET A 81 2.652 -6.367 -11.316 1.00 0.00 O ATOM 1231 CB MET A 81 -0.284 -4.777 -11.034 1.00 0.00 C ATOM 1232 CG MET A 81 -1.485 -4.825 -10.087 1.00 0.00 C ATOM 1233 SD MET A 81 -1.883 -6.548 -9.699 1.00 0.00 S ATOM 1234 CE MET A 81 -3.075 -6.814 -11.035 1.00 0.00 C ATOM 0 H MET A 81 0.823 -2.944 -9.711 1.00 0.00 H new ATOM 0 HA MET A 81 0.905 -5.833 -9.571 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.258 -3.820 -11.556 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.377 -5.552 -11.795 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.261 -4.278 -9.171 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.344 -4.337 -10.548 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.443 -7.839 -10.996 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.911 -6.124 -10.920 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.590 -6.639 -11.995 1.00 0.00 H new ATOM 1244 N VAL A 82 2.573 -4.195 -11.934 1.00 0.00 N ATOM 1245 CA VAL A 82 3.656 -4.317 -12.925 1.00 0.00 C ATOM 1246 C VAL A 82 5.027 -4.535 -12.268 1.00 0.00 C ATOM 1247 O VAL A 82 5.885 -5.209 -12.840 1.00 0.00 O ATOM 1248 CB VAL A 82 3.730 -3.064 -13.812 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.457 -2.947 -14.652 1.00 0.00 C ATOM 1250 CG2 VAL A 82 3.881 -1.815 -12.939 1.00 0.00 C ATOM 0 H VAL A 82 2.177 -3.258 -11.855 1.00 0.00 H new ATOM 0 HA VAL A 82 3.418 -5.192 -13.530 1.00 0.00 H new ATOM 0 HB VAL A 82 4.593 -3.149 -14.472 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.515 -2.057 -15.279 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.355 -3.830 -15.284 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.592 -2.871 -13.993 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.933 -0.931 -13.575 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.024 -1.732 -12.271 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.794 -1.892 -12.349 1.00 0.00 H new ATOM 1260 N ARG A 83 5.236 -3.960 -11.074 1.00 0.00 N ATOM 1261 CA ARG A 83 6.522 -4.106 -10.370 1.00 0.00 C ATOM 1262 C ARG A 83 6.886 -5.582 -10.170 1.00 0.00 C ATOM 1263 O ARG A 83 8.064 -5.927 -10.047 1.00 0.00 O ATOM 1264 CB ARG A 83 6.490 -3.402 -9.004 1.00 0.00 C ATOM 1265 CG ARG A 83 5.416 -4.029 -8.108 1.00 0.00 C ATOM 1266 CD ARG A 83 6.064 -5.014 -7.128 1.00 0.00 C ATOM 1267 NE ARG A 83 5.280 -6.248 -7.039 1.00 0.00 N ATOM 1268 CZ ARG A 83 5.593 -7.223 -6.174 1.00 0.00 C ATOM 1269 NH1 ARG A 83 6.623 -7.100 -5.368 1.00 0.00 N ATOM 1270 NH2 ARG A 83 4.861 -8.307 -6.131 1.00 0.00 N ATOM 0 H ARG A 83 4.543 -3.397 -10.580 1.00 0.00 H new ATOM 0 HA ARG A 83 7.281 -3.637 -10.996 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.465 -3.481 -8.524 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.286 -2.340 -9.139 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.888 -3.250 -7.558 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.676 -4.545 -8.719 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.078 -5.245 -7.454 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.142 -4.555 -6.142 1.00 0.00 H new ATOM 0 HE ARG A 83 4.474 -6.369 -7.652 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.195 -6.256 -5.396 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.851 -7.849 -4.714 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.059 -8.406 -6.753 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.093 -9.053 -5.475 1.00 0.00 H new ATOM 1284 N CYS A 84 5.865 -6.449 -10.146 1.00 0.00 N ATOM 1285 CA CYS A 84 6.093 -7.886 -9.971 1.00 0.00 C ATOM 1286 C CYS A 84 6.939 -8.446 -11.124 1.00 0.00 C ATOM 1287 O CYS A 84 7.726 -9.376 -10.932 1.00 0.00 O ATOM 1288 CB CYS A 84 4.760 -8.640 -9.911 1.00 0.00 C ATOM 1289 SG CYS A 84 5.011 -10.252 -9.126 1.00 0.00 S ATOM 0 H CYS A 84 4.885 -6.183 -10.244 1.00 0.00 H new ATOM 0 HA CYS A 84 6.629 -8.026 -9.032 1.00 0.00 H new ATOM 0 HB2 CYS A 84 4.027 -8.060 -9.349 1.00 0.00 H new ATOM 0 HB3 CYS A 84 4.359 -8.772 -10.916 1.00 0.00 H new ATOM 0 HG CYS A 84 3.880 -10.890 -9.074 1.00 0.00 H new