USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 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 67 GLN : amide:sc= 0.199 K(o=0.8,f=-3.4) USER MOD Set 1.2: A 77 LYS NZ :NH3+ -143:sc= 0.603 (180deg=-0.937) USER MOD Set 2.1: A 32 SER OG : rot -39:sc= 1.62 USER MOD Set 2.2: A 33 GLN : amide:sc= 0.189 K(o=1.8,f=1) USER MOD Set 3.1: A 23 ASN : amide:sc= 1.05 K(o=2.3,f=-0.59!) USER MOD Set 3.2: A 26 THR OG1 : rot 137:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ 175:sc= 0.856 (180deg=0.682) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 87:sc= 0.936 USER MOD Single : A 9 LYS NZ :NH3+ -138:sc= 1.27 (180deg=-0.592) USER MOD Single : A 12 GLN : amide:sc= 0.629 K(o=0.63,f=-1.2) USER MOD Single : A 13 LYS NZ :NH3+ 171:sc= 0.898 (180deg=0.731) USER MOD Single : A 17 MET CE :methyl 166:sc= -0.182 (180deg=-0.577) USER MOD Single : A 21 GLN : amide:sc= -0.21! C(o=-0.21!,f=-3.5!) USER MOD Single : A 28 THR OG1 : rot 82:sc= 1.27 USER MOD Single : A 29 GLN : amide:sc= 1.22 K(o=1.2,f=-0.016) USER MOD Single : A 37 LYS NZ :NH3+ -175:sc= 0.0347 (180deg=-0.184) USER MOD Single : A 39 LYS NZ :NH3+ 145:sc= 1.23 (180deg=0.829) USER MOD Single : A 46 LYS NZ :NH3+ 133:sc= 0.589 (180deg=-0.611) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 150:sc=-0.00523 (180deg=-0.0217) USER MOD Single : A 51 SER OG : rot -107:sc= 0.149 USER MOD Single : A 57 SER OG : rot -143:sc= 1.21 USER MOD Single : A 62 THR OG1 : rot -73:sc= 1.24 USER MOD Single : A 64 LYS NZ :NH3+ -177:sc= 1.26 (180deg=1.18) USER MOD Single : A 65 LYS NZ :NH3+ -176:sc= 1.41 (180deg=1.28) USER MOD Single : A 74 LYS NZ :NH3+ 171:sc= 2.4 (180deg=2.04) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.550 -0.366 5.195 1.00 0.00 N ATOM 2 CA GLY A 1 -16.723 -1.584 5.160 1.00 0.00 C ATOM 3 C GLY A 1 -15.454 -1.434 5.998 1.00 0.00 C ATOM 4 O GLY A 1 -14.743 -0.440 5.859 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.357 -0.476 4.549 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.899 -0.211 6.162 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.978 0.451 4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.305 -2.429 5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.453 -1.810 4.129 1.00 0.00 H new ATOM 10 N TYR A 2 -15.122 -2.437 6.834 1.00 0.00 N ATOM 11 CA TYR A 2 -13.866 -2.519 7.613 1.00 0.00 C ATOM 12 C TYR A 2 -12.628 -2.371 6.715 1.00 0.00 C ATOM 13 O TYR A 2 -11.576 -1.876 7.134 1.00 0.00 O ATOM 14 CB TYR A 2 -13.840 -3.861 8.370 1.00 0.00 C ATOM 15 CG TYR A 2 -12.557 -4.185 9.125 1.00 0.00 C ATOM 16 CD1 TYR A 2 -12.308 -3.610 10.387 1.00 0.00 C ATOM 17 CD2 TYR A 2 -11.628 -5.099 8.587 1.00 0.00 C ATOM 18 CE1 TYR A 2 -11.148 -3.950 11.112 1.00 0.00 C ATOM 19 CE2 TYR A 2 -10.464 -5.440 9.304 1.00 0.00 C ATOM 20 CZ TYR A 2 -10.218 -4.873 10.575 1.00 0.00 C ATOM 21 OH TYR A 2 -9.101 -5.222 11.272 1.00 0.00 O ATOM 0 H TYR A 2 -15.736 -3.236 6.992 1.00 0.00 H new ATOM 0 HA TYR A 2 -13.836 -1.693 8.324 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.667 -3.869 9.081 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -14.027 -4.661 7.654 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -13.011 -2.903 10.802 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.810 -5.541 7.618 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -10.968 -3.505 12.080 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -9.757 -6.138 8.880 1.00 0.00 H new ATOM 0 HH TYR A 2 -8.578 -5.867 10.751 1.00 0.00 H new ATOM 31 N PHE A 3 -12.771 -2.788 5.458 1.00 0.00 N ATOM 32 CA PHE A 3 -11.790 -2.623 4.412 1.00 0.00 C ATOM 33 C PHE A 3 -11.236 -1.206 4.280 1.00 0.00 C ATOM 34 O PHE A 3 -10.026 -1.108 4.077 1.00 0.00 O ATOM 35 CB PHE A 3 -12.384 -3.108 3.091 1.00 0.00 C ATOM 36 CG PHE A 3 -12.340 -4.600 2.840 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.088 -5.194 2.584 1.00 0.00 C ATOM 38 CD2 PHE A 3 -13.516 -5.356 2.685 1.00 0.00 C ATOM 39 CE1 PHE A 3 -11.007 -6.534 2.176 1.00 0.00 C ATOM 40 CE2 PHE A 3 -13.432 -6.707 2.305 1.00 0.00 C ATOM 41 CZ PHE A 3 -12.180 -7.293 2.045 1.00 0.00 C ATOM 0 H PHE A 3 -13.612 -3.269 5.138 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.928 -3.229 4.689 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -13.424 -2.784 3.045 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.859 -2.609 2.277 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -10.185 -4.614 2.703 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -14.480 -4.900 2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.046 -6.979 1.964 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -14.332 -7.297 2.212 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.121 -8.329 1.744 1.00 0.00 H new ATOM 51 N CYS A 4 -12.034 -0.133 4.414 1.00 0.00 N ATOM 52 CA CYS A 4 -11.501 1.203 4.152 1.00 0.00 C ATOM 53 C CYS A 4 -10.348 1.525 5.101 1.00 0.00 C ATOM 54 O CYS A 4 -9.245 1.784 4.635 1.00 0.00 O ATOM 55 CB CYS A 4 -12.542 2.334 4.263 1.00 0.00 C ATOM 56 SG CYS A 4 -11.734 3.961 4.071 1.00 0.00 S ATOM 0 H CYS A 4 -13.015 -0.165 4.692 1.00 0.00 H new ATOM 0 HA CYS A 4 -11.162 1.166 3.117 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -13.308 2.208 3.498 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -13.044 2.282 5.229 1.00 0.00 H new ATOM 61 N GLU A 5 -10.604 1.539 6.413 1.00 0.00 N ATOM 62 CA GLU A 5 -9.619 1.851 7.449 1.00 0.00 C ATOM 63 C GLU A 5 -8.400 0.950 7.263 1.00 0.00 C ATOM 64 O GLU A 5 -7.267 1.427 7.269 1.00 0.00 O ATOM 65 CB GLU A 5 -10.267 1.672 8.839 1.00 0.00 C ATOM 66 CG GLU A 5 -9.297 1.704 10.040 1.00 0.00 C ATOM 67 CD GLU A 5 -8.437 2.968 10.163 1.00 0.00 C ATOM 68 OE1 GLU A 5 -8.667 3.957 9.441 1.00 0.00 O ATOM 69 OE2 GLU A 5 -7.466 2.963 10.954 1.00 0.00 O ATOM 0 H GLU A 5 -11.527 1.328 6.792 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.287 2.886 7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.011 2.456 8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.800 0.721 8.851 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.877 1.590 10.956 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.635 0.841 9.973 1.00 0.00 H new ATOM 76 N SER A 6 -8.630 -0.354 7.100 1.00 0.00 N ATOM 77 CA SER A 6 -7.584 -1.333 6.860 1.00 0.00 C ATOM 78 C SER A 6 -6.700 -0.931 5.671 1.00 0.00 C ATOM 79 O SER A 6 -5.486 -0.809 5.822 1.00 0.00 O ATOM 80 CB SER A 6 -8.224 -2.709 6.661 1.00 0.00 C ATOM 81 OG SER A 6 -9.058 -3.033 7.756 1.00 0.00 O ATOM 0 H SER A 6 -9.565 -0.760 7.133 1.00 0.00 H new ATOM 0 HA SER A 6 -6.925 -1.376 7.727 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.806 -2.716 5.739 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.447 -3.465 6.553 1.00 0.00 H new ATOM 0 HG SER A 6 -9.956 -2.674 7.601 1.00 0.00 H new ATOM 87 N CYS A 7 -7.288 -0.701 4.496 1.00 0.00 N ATOM 88 CA CYS A 7 -6.589 -0.308 3.279 1.00 0.00 C ATOM 89 C CYS A 7 -5.858 1.013 3.464 1.00 0.00 C ATOM 90 O CYS A 7 -4.685 1.130 3.120 1.00 0.00 O ATOM 91 CB CYS A 7 -7.598 -0.186 2.140 1.00 0.00 C ATOM 92 SG CYS A 7 -6.880 0.310 0.551 1.00 0.00 S ATOM 0 H CYS A 7 -8.296 -0.787 4.365 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.847 -1.071 3.042 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.102 -1.144 2.014 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.360 0.540 2.423 1.00 0.00 H new ATOM 97 N ARG A 8 -6.552 2.007 4.013 1.00 0.00 N ATOM 98 CA ARG A 8 -6.033 3.330 4.306 1.00 0.00 C ATOM 99 C ARG A 8 -4.766 3.171 5.131 1.00 0.00 C ATOM 100 O ARG A 8 -3.746 3.738 4.766 1.00 0.00 O ATOM 101 CB ARG A 8 -7.133 4.111 5.038 1.00 0.00 C ATOM 102 CG ARG A 8 -6.803 5.574 5.349 1.00 0.00 C ATOM 103 CD ARG A 8 -7.771 6.076 6.427 1.00 0.00 C ATOM 104 NE ARG A 8 -7.393 5.642 7.775 1.00 0.00 N ATOM 105 CZ ARG A 8 -6.461 6.124 8.604 1.00 0.00 C ATOM 106 NH1 ARG A 8 -5.595 7.064 8.215 1.00 0.00 N ATOM 107 NH2 ARG A 8 -6.416 5.629 9.836 1.00 0.00 N ATOM 0 H ARG A 8 -7.532 1.903 4.275 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.768 3.888 3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.040 4.081 4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.357 3.600 5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.773 5.664 5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.892 6.181 4.448 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.808 7.165 6.398 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.775 5.717 6.203 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.923 4.849 8.137 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.635 7.432 7.265 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.894 7.414 8.868 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.078 4.907 10.120 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.719 5.971 10.498 1.00 0.00 H new ATOM 121 N LYS A 9 -4.813 2.385 6.208 1.00 0.00 N ATOM 122 CA LYS A 9 -3.672 2.100 7.062 1.00 0.00 C ATOM 123 C LYS A 9 -2.564 1.397 6.279 1.00 0.00 C ATOM 124 O LYS A 9 -1.411 1.775 6.449 1.00 0.00 O ATOM 125 CB LYS A 9 -4.162 1.291 8.272 1.00 0.00 C ATOM 126 CG LYS A 9 -3.146 1.248 9.424 1.00 0.00 C ATOM 127 CD LYS A 9 -3.803 0.783 10.737 1.00 0.00 C ATOM 128 CE LYS A 9 -4.695 1.905 11.296 1.00 0.00 C ATOM 129 NZ LYS A 9 -5.716 1.447 12.263 1.00 0.00 N ATOM 0 H LYS A 9 -5.669 1.921 6.513 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.228 3.026 7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.095 1.722 8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.384 0.272 7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.329 0.574 9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.711 2.237 9.564 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.397 -0.113 10.560 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.036 0.518 11.465 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.062 2.649 11.779 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.196 2.403 10.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.616 1.932 12.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.849 0.420 12.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.402 1.666 13.230 1.00 0.00 H new ATOM 143 N ILE A 10 -2.888 0.405 5.444 1.00 0.00 N ATOM 144 CA ILE A 10 -1.925 -0.319 4.612 1.00 0.00 C ATOM 145 C ILE A 10 -1.165 0.667 3.714 1.00 0.00 C ATOM 146 O ILE A 10 0.064 0.676 3.748 1.00 0.00 O ATOM 147 CB ILE A 10 -2.608 -1.504 3.884 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.980 -2.595 4.916 1.00 0.00 C ATOM 149 CG2 ILE A 10 -1.683 -2.147 2.836 1.00 0.00 C ATOM 150 CD1 ILE A 10 -4.033 -3.588 4.410 1.00 0.00 C ATOM 0 H ILE A 10 -3.847 0.077 5.326 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.160 -0.791 5.229 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.491 -1.109 3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.079 -3.143 5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.351 -2.115 5.821 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.202 -2.973 2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.407 -1.403 2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.784 -2.521 3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.243 -4.323 5.187 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.949 -3.052 4.161 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.657 -4.096 3.522 1.00 0.00 H new ATOM 162 N ILE A 11 -1.868 1.514 2.956 1.00 0.00 N ATOM 163 CA ILE A 11 -1.251 2.546 2.127 1.00 0.00 C ATOM 164 C ILE A 11 -0.439 3.499 3.003 1.00 0.00 C ATOM 165 O ILE A 11 0.737 3.700 2.732 1.00 0.00 O ATOM 166 CB ILE A 11 -2.321 3.284 1.290 1.00 0.00 C ATOM 167 CG1 ILE A 11 -2.967 2.400 0.197 1.00 0.00 C ATOM 168 CG2 ILE A 11 -1.770 4.566 0.644 1.00 0.00 C ATOM 169 CD1 ILE A 11 -2.013 1.759 -0.818 1.00 0.00 C ATOM 0 H ILE A 11 -2.886 1.500 2.902 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.564 2.081 1.420 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.097 3.548 2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.527 1.604 0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.689 3.007 -0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.558 5.050 0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.422 5.245 1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.940 4.313 -0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.585 1.165 -1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.470 2.540 -1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.305 1.116 -0.296 1.00 0.00 H new ATOM 181 N GLN A 12 -1.038 4.079 4.044 1.00 0.00 N ATOM 182 CA GLN A 12 -0.392 5.076 4.893 1.00 0.00 C ATOM 183 C GLN A 12 0.903 4.546 5.494 1.00 0.00 C ATOM 184 O GLN A 12 1.862 5.294 5.645 1.00 0.00 O ATOM 185 CB GLN A 12 -1.342 5.509 6.014 1.00 0.00 C ATOM 186 CG GLN A 12 -2.476 6.399 5.490 1.00 0.00 C ATOM 187 CD GLN A 12 -2.288 7.851 5.900 1.00 0.00 C ATOM 188 OE1 GLN A 12 -3.030 8.325 6.759 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.335 8.555 5.311 1.00 0.00 N ATOM 0 H GLN A 12 -1.996 3.866 4.323 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.148 5.935 4.267 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.765 4.626 6.493 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.781 6.048 6.778 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.519 6.331 4.403 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.430 6.034 5.871 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.743 8.120 4.603 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.192 9.533 5.565 1.00 0.00 H new ATOM 198 N LYS A 13 0.937 3.274 5.895 1.00 0.00 N ATOM 199 CA LYS A 13 2.144 2.707 6.460 1.00 0.00 C ATOM 200 C LYS A 13 3.212 2.517 5.372 1.00 0.00 C ATOM 201 O LYS A 13 4.382 2.533 5.723 1.00 0.00 O ATOM 202 CB LYS A 13 1.811 1.436 7.254 1.00 0.00 C ATOM 203 CG LYS A 13 2.879 1.047 8.295 1.00 0.00 C ATOM 204 CD LYS A 13 2.839 1.929 9.562 1.00 0.00 C ATOM 205 CE LYS A 13 3.867 3.058 9.467 1.00 0.00 C ATOM 206 NZ LYS A 13 3.689 4.161 10.442 1.00 0.00 N ATOM 0 H LYS A 13 0.148 2.630 5.837 1.00 0.00 H new ATOM 0 HA LYS A 13 2.583 3.399 7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.858 1.578 7.763 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.680 0.609 6.557 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.737 0.005 8.580 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.866 1.121 7.839 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.841 2.349 9.688 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.041 1.319 10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.862 2.633 9.601 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.832 3.475 8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.512 4.795 10.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.828 4.696 10.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.602 3.767 11.400 1.00 0.00 H new ATOM 220 N LEU A 14 2.846 2.302 4.100 1.00 0.00 N ATOM 221 CA LEU A 14 3.801 2.226 2.985 1.00 0.00 C ATOM 222 C LEU A 14 4.362 3.620 2.761 1.00 0.00 C ATOM 223 O LEU A 14 5.568 3.791 2.682 1.00 0.00 O ATOM 224 CB LEU A 14 3.114 1.725 1.690 1.00 0.00 C ATOM 225 CG LEU A 14 4.027 1.366 0.494 1.00 0.00 C ATOM 226 CD1 LEU A 14 4.903 2.494 -0.057 1.00 0.00 C ATOM 227 CD2 LEU A 14 4.911 0.164 0.817 1.00 0.00 C ATOM 0 H LEU A 14 1.875 2.175 3.815 1.00 0.00 H new ATOM 0 HA LEU A 14 4.593 1.519 3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.525 0.843 1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.414 2.493 1.361 1.00 0.00 H new ATOM 0 HG LEU A 14 3.315 1.136 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.496 2.120 -0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.270 3.312 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.568 2.855 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.542 -0.065 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.539 0.395 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.284 -0.697 1.047 1.00 0.00 H new ATOM 239 N GLU A 15 3.468 4.598 2.662 1.00 0.00 N ATOM 240 CA GLU A 15 3.734 6.011 2.445 1.00 0.00 C ATOM 241 C GLU A 15 4.757 6.467 3.498 1.00 0.00 C ATOM 242 O GLU A 15 5.801 7.001 3.145 1.00 0.00 O ATOM 243 CB GLU A 15 2.329 6.664 2.464 1.00 0.00 C ATOM 244 CG GLU A 15 2.120 8.081 1.924 1.00 0.00 C ATOM 245 CD GLU A 15 0.619 8.461 1.899 1.00 0.00 C ATOM 246 OE1 GLU A 15 -0.143 8.075 2.824 1.00 0.00 O ATOM 247 OE2 GLU A 15 0.199 9.147 0.933 1.00 0.00 O ATOM 0 H GLU A 15 2.469 4.408 2.737 1.00 0.00 H new ATOM 0 HA GLU A 15 4.206 6.293 1.504 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.662 6.006 1.907 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.988 6.661 3.499 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.667 8.792 2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.532 8.153 0.917 1.00 0.00 H new ATOM 254 N ASP A 16 4.514 6.150 4.772 1.00 0.00 N ATOM 255 CA ASP A 16 5.433 6.366 5.901 1.00 0.00 C ATOM 256 C ASP A 16 6.790 5.690 5.746 1.00 0.00 C ATOM 257 O ASP A 16 7.771 6.184 6.295 1.00 0.00 O ATOM 258 CB ASP A 16 4.751 5.772 7.150 1.00 0.00 C ATOM 259 CG ASP A 16 5.648 5.391 8.346 1.00 0.00 C ATOM 260 OD1 ASP A 16 6.183 4.250 8.386 1.00 0.00 O ATOM 261 OD2 ASP A 16 5.392 5.960 9.431 1.00 0.00 O ATOM 0 H ASP A 16 3.636 5.718 5.061 1.00 0.00 H new ATOM 0 HA ASP A 16 5.626 7.437 5.966 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.011 6.491 7.502 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.206 4.879 6.842 1.00 0.00 H new ATOM 266 N MET A 17 6.843 4.528 5.098 1.00 0.00 N ATOM 267 CA MET A 17 8.087 3.802 4.927 1.00 0.00 C ATOM 268 C MET A 17 8.901 4.350 3.771 1.00 0.00 C ATOM 269 O MET A 17 10.070 4.659 3.977 1.00 0.00 O ATOM 270 CB MET A 17 7.815 2.306 4.721 1.00 0.00 C ATOM 271 CG MET A 17 7.391 1.687 6.046 1.00 0.00 C ATOM 272 SD MET A 17 6.722 0.013 5.937 1.00 0.00 S ATOM 273 CE MET A 17 8.251 -0.916 6.135 1.00 0.00 C ATOM 0 H MET A 17 6.031 4.072 4.683 1.00 0.00 H new ATOM 0 HA MET A 17 8.670 3.934 5.838 1.00 0.00 H new ATOM 0 HB2 MET A 17 7.034 2.166 3.974 1.00 0.00 H new ATOM 0 HB3 MET A 17 8.709 1.810 4.344 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.252 1.674 6.714 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.641 2.331 6.506 1.00 0.00 H new ATOM 0 HE1 MET A 17 8.018 -1.960 6.343 1.00 0.00 H new ATOM 0 HE2 MET A 17 8.838 -0.851 5.219 1.00 0.00 H new ATOM 0 HE3 MET A 17 8.825 -0.500 6.963 1.00 0.00 H new ATOM 283 N VAL A 18 8.362 4.299 2.546 1.00 0.00 N ATOM 284 CA VAL A 18 9.122 4.771 1.399 1.00 0.00 C ATOM 285 C VAL A 18 9.442 6.266 1.521 1.00 0.00 C ATOM 286 O VAL A 18 10.529 6.702 1.152 1.00 0.00 O ATOM 287 CB VAL A 18 8.522 4.284 0.071 1.00 0.00 C ATOM 288 CG1 VAL A 18 7.339 5.101 -0.455 1.00 0.00 C ATOM 289 CG2 VAL A 18 9.634 4.097 -0.961 1.00 0.00 C ATOM 0 H VAL A 18 7.429 3.945 2.334 1.00 0.00 H new ATOM 0 HA VAL A 18 10.107 4.305 1.394 1.00 0.00 H new ATOM 0 HB VAL A 18 8.063 3.317 0.276 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.991 4.674 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.529 5.080 0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.653 6.132 -0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.204 3.752 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.144 5.047 -1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.349 3.359 -0.596 1.00 0.00 H new ATOM 299 N GLY A 19 8.481 7.049 2.026 1.00 0.00 N ATOM 300 CA GLY A 19 8.601 8.488 2.090 1.00 0.00 C ATOM 301 C GLY A 19 8.306 9.081 0.700 1.00 0.00 C ATOM 302 O GLY A 19 7.301 8.702 0.091 1.00 0.00 O ATOM 0 H GLY A 19 7.602 6.690 2.399 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.905 8.891 2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.604 8.768 2.413 1.00 0.00 H new ATOM 306 N PRO A 20 9.073 10.088 0.241 1.00 0.00 N ATOM 307 CA PRO A 20 8.824 10.808 -1.005 1.00 0.00 C ATOM 308 C PRO A 20 9.100 9.955 -2.256 1.00 0.00 C ATOM 309 O PRO A 20 9.494 8.795 -2.167 1.00 0.00 O ATOM 310 CB PRO A 20 9.741 12.038 -0.927 1.00 0.00 C ATOM 311 CG PRO A 20 10.949 11.510 -0.162 1.00 0.00 C ATOM 312 CD PRO A 20 10.312 10.555 0.843 1.00 0.00 C ATOM 0 HA PRO A 20 7.774 11.081 -1.106 1.00 0.00 H new ATOM 0 HB2 PRO A 20 10.016 12.401 -1.917 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.263 12.867 -0.405 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.653 10.998 -0.818 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.499 12.311 0.332 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.977 9.719 1.059 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.117 11.060 1.789 1.00 0.00 H new ATOM 320 N GLN A 21 8.877 10.588 -3.415 1.00 0.00 N ATOM 321 CA GLN A 21 9.015 10.145 -4.811 1.00 0.00 C ATOM 322 C GLN A 21 9.828 8.844 -4.974 1.00 0.00 C ATOM 323 O GLN A 21 11.042 8.908 -5.170 1.00 0.00 O ATOM 324 CB GLN A 21 9.612 11.275 -5.679 1.00 0.00 C ATOM 325 CG GLN A 21 8.741 12.538 -5.798 1.00 0.00 C ATOM 326 CD GLN A 21 8.838 13.446 -4.574 1.00 0.00 C ATOM 327 OE1 GLN A 21 8.064 13.319 -3.632 1.00 0.00 O ATOM 328 NE2 GLN A 21 9.798 14.356 -4.535 1.00 0.00 N ATOM 0 H GLN A 21 8.551 11.554 -3.392 1.00 0.00 H new ATOM 0 HA GLN A 21 8.008 9.912 -5.157 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.579 11.558 -5.264 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.796 10.884 -6.680 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.041 13.098 -6.684 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.702 12.244 -5.944 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.438 14.456 -5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.898 14.958 -3.717 1.00 0.00 H new ATOM 337 N PRO A 22 9.176 7.671 -4.897 1.00 0.00 N ATOM 338 CA PRO A 22 9.848 6.381 -4.909 1.00 0.00 C ATOM 339 C PRO A 22 9.894 5.772 -6.319 1.00 0.00 C ATOM 340 O PRO A 22 9.554 6.411 -7.315 1.00 0.00 O ATOM 341 CB PRO A 22 9.000 5.563 -3.946 1.00 0.00 C ATOM 342 CG PRO A 22 7.589 5.998 -4.302 1.00 0.00 C ATOM 343 CD PRO A 22 7.764 7.488 -4.581 1.00 0.00 C ATOM 0 HA PRO A 22 10.897 6.431 -4.616 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.143 4.492 -4.088 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.242 5.781 -2.906 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.207 5.464 -5.172 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.890 5.817 -3.485 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.133 7.807 -5.411 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.477 8.084 -3.715 1.00 0.00 H new ATOM 351 N ASN A 23 10.215 4.478 -6.394 1.00 0.00 N ATOM 352 CA ASN A 23 10.279 3.670 -7.605 1.00 0.00 C ATOM 353 C ASN A 23 9.659 2.308 -7.291 1.00 0.00 C ATOM 354 O ASN A 23 9.756 1.806 -6.172 1.00 0.00 O ATOM 355 CB ASN A 23 11.733 3.498 -8.083 1.00 0.00 C ATOM 356 CG ASN A 23 12.585 2.737 -7.071 1.00 0.00 C ATOM 357 OD1 ASN A 23 12.799 3.213 -5.963 1.00 0.00 O ATOM 358 ND2 ASN A 23 13.069 1.545 -7.389 1.00 0.00 N ATOM 0 H ASN A 23 10.450 3.939 -5.560 1.00 0.00 H new ATOM 0 HA ASN A 23 9.732 4.165 -8.408 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.741 2.967 -9.035 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.173 4.479 -8.262 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.621 1.021 -6.710 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.889 1.151 -8.313 1.00 0.00 H new ATOM 365 N GLU A 24 8.971 1.753 -8.289 1.00 0.00 N ATOM 366 CA GLU A 24 8.172 0.528 -8.251 1.00 0.00 C ATOM 367 C GLU A 24 8.783 -0.646 -7.475 1.00 0.00 C ATOM 368 O GLU A 24 8.060 -1.309 -6.726 1.00 0.00 O ATOM 369 CB GLU A 24 7.827 0.163 -9.702 1.00 0.00 C ATOM 370 CG GLU A 24 7.124 -1.193 -9.857 1.00 0.00 C ATOM 371 CD GLU A 24 6.237 -1.208 -11.100 1.00 0.00 C ATOM 372 OE1 GLU A 24 6.709 -1.538 -12.205 1.00 0.00 O ATOM 373 OE2 GLU A 24 5.036 -0.875 -10.976 1.00 0.00 O ATOM 0 H GLU A 24 8.957 2.180 -9.215 1.00 0.00 H new ATOM 0 HA GLU A 24 7.273 0.735 -7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.188 0.941 -10.119 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.744 0.154 -10.291 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.868 -1.987 -9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.521 -1.398 -8.972 1.00 0.00 H new ATOM 380 N ASP A 25 10.090 -0.897 -7.608 1.00 0.00 N ATOM 381 CA ASP A 25 10.713 -2.006 -6.882 1.00 0.00 C ATOM 382 C ASP A 25 10.710 -1.707 -5.392 1.00 0.00 C ATOM 383 O ASP A 25 10.165 -2.483 -4.613 1.00 0.00 O ATOM 384 CB ASP A 25 12.140 -2.316 -7.328 1.00 0.00 C ATOM 385 CG ASP A 25 12.650 -3.452 -6.433 1.00 0.00 C ATOM 386 OD1 ASP A 25 12.197 -4.595 -6.649 1.00 0.00 O ATOM 387 OD2 ASP A 25 13.400 -3.145 -5.480 1.00 0.00 O ATOM 0 H ASP A 25 10.724 -0.359 -8.199 1.00 0.00 H new ATOM 0 HA ASP A 25 10.116 -2.889 -7.109 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.161 -2.612 -8.377 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.774 -1.435 -7.233 1.00 0.00 H new ATOM 392 N THR A 26 11.233 -0.547 -4.996 1.00 0.00 N ATOM 393 CA THR A 26 11.293 -0.137 -3.604 1.00 0.00 C ATOM 394 C THR A 26 9.892 -0.161 -2.994 1.00 0.00 C ATOM 395 O THR A 26 9.735 -0.608 -1.862 1.00 0.00 O ATOM 396 CB THR A 26 11.950 1.246 -3.507 1.00 0.00 C ATOM 397 OG1 THR A 26 13.145 1.242 -4.260 1.00 0.00 O ATOM 398 CG2 THR A 26 12.320 1.610 -2.068 1.00 0.00 C ATOM 0 H THR A 26 11.629 0.136 -5.642 1.00 0.00 H new ATOM 0 HA THR A 26 11.905 -0.834 -3.031 1.00 0.00 H new ATOM 0 HB THR A 26 11.230 1.973 -3.883 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.211 2.074 -4.773 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.782 2.597 -2.050 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.421 1.619 -1.452 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.021 0.874 -1.675 1.00 0.00 H new ATOM 406 N VAL A 27 8.855 0.237 -3.736 1.00 0.00 N ATOM 407 CA VAL A 27 7.472 0.132 -3.277 1.00 0.00 C ATOM 408 C VAL A 27 7.096 -1.341 -3.052 1.00 0.00 C ATOM 409 O VAL A 27 6.483 -1.658 -2.033 1.00 0.00 O ATOM 410 CB VAL A 27 6.526 0.859 -4.259 1.00 0.00 C ATOM 411 CG1 VAL A 27 5.047 0.693 -3.872 1.00 0.00 C ATOM 412 CG2 VAL A 27 6.852 2.361 -4.298 1.00 0.00 C ATOM 0 H VAL A 27 8.952 0.639 -4.668 1.00 0.00 H new ATOM 0 HA VAL A 27 7.364 0.631 -2.314 1.00 0.00 H new ATOM 0 HB VAL A 27 6.682 0.406 -5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.421 1.221 -4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.787 -0.366 -3.873 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.883 1.106 -2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.178 2.862 -4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.727 2.786 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.882 2.501 -4.626 1.00 0.00 H new ATOM 422 N THR A 28 7.461 -2.245 -3.959 1.00 0.00 N ATOM 423 CA THR A 28 7.212 -3.678 -3.852 1.00 0.00 C ATOM 424 C THR A 28 7.904 -4.266 -2.611 1.00 0.00 C ATOM 425 O THR A 28 7.243 -4.914 -1.787 1.00 0.00 O ATOM 426 CB THR A 28 7.645 -4.360 -5.166 1.00 0.00 C ATOM 427 OG1 THR A 28 6.948 -3.772 -6.249 1.00 0.00 O ATOM 428 CG2 THR A 28 7.350 -5.863 -5.167 1.00 0.00 C ATOM 0 H THR A 28 7.954 -1.990 -4.815 1.00 0.00 H new ATOM 0 HA THR A 28 6.147 -3.865 -3.712 1.00 0.00 H new ATOM 0 HB THR A 28 8.722 -4.222 -5.262 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.394 -2.940 -6.512 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.673 -6.297 -6.113 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.887 -6.340 -4.347 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.279 -6.024 -5.041 1.00 0.00 H new ATOM 436 N GLN A 29 9.213 -4.049 -2.441 1.00 0.00 N ATOM 437 CA GLN A 29 9.938 -4.617 -1.312 1.00 0.00 C ATOM 438 C GLN A 29 9.493 -3.956 -0.007 1.00 0.00 C ATOM 439 O GLN A 29 9.198 -4.686 0.948 1.00 0.00 O ATOM 440 CB GLN A 29 11.464 -4.605 -1.525 1.00 0.00 C ATOM 441 CG GLN A 29 12.106 -3.275 -1.932 1.00 0.00 C ATOM 442 CD GLN A 29 13.625 -3.337 -1.791 1.00 0.00 C ATOM 443 OE1 GLN A 29 14.133 -3.396 -0.676 1.00 0.00 O ATOM 444 NE2 GLN A 29 14.369 -3.338 -2.883 1.00 0.00 N ATOM 0 H GLN A 29 9.785 -3.486 -3.071 1.00 0.00 H new ATOM 0 HA GLN A 29 9.681 -5.674 -1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.936 -4.939 -0.601 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.704 -5.343 -2.290 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.842 -3.040 -2.963 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.712 -2.471 -1.310 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.927 -3.288 -3.801 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.385 -3.388 -2.808 1.00 0.00 H new ATOM 453 N ALA A 30 9.322 -2.627 0.022 1.00 0.00 N ATOM 454 CA ALA A 30 8.792 -1.913 1.176 1.00 0.00 C ATOM 455 C ALA A 30 7.441 -2.500 1.555 1.00 0.00 C ATOM 456 O ALA A 30 7.240 -2.790 2.723 1.00 0.00 O ATOM 457 CB ALA A 30 8.675 -0.403 0.929 1.00 0.00 C ATOM 0 H ALA A 30 9.551 -2.019 -0.764 1.00 0.00 H new ATOM 0 HA ALA A 30 9.495 -2.039 2.000 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.275 0.081 1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.660 0.006 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.007 -0.223 0.087 1.00 0.00 H new ATOM 463 N ALA A 31 6.543 -2.755 0.599 1.00 0.00 N ATOM 464 CA ALA A 31 5.239 -3.367 0.821 1.00 0.00 C ATOM 465 C ALA A 31 5.366 -4.750 1.462 1.00 0.00 C ATOM 466 O ALA A 31 4.614 -5.065 2.385 1.00 0.00 O ATOM 467 CB ALA A 31 4.406 -3.417 -0.463 1.00 0.00 C ATOM 0 H ALA A 31 6.714 -2.532 -0.382 1.00 0.00 H new ATOM 0 HA ALA A 31 4.704 -2.730 1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.442 -3.880 -0.253 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.249 -2.404 -0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.934 -4.002 -1.216 1.00 0.00 H new ATOM 473 N SER A 32 6.226 -5.643 0.968 1.00 0.00 N ATOM 474 CA SER A 32 6.382 -6.939 1.636 1.00 0.00 C ATOM 475 C SER A 32 6.616 -6.791 3.145 1.00 0.00 C ATOM 476 O SER A 32 6.061 -7.587 3.922 1.00 0.00 O ATOM 477 CB SER A 32 7.486 -7.750 0.938 1.00 0.00 C ATOM 478 OG SER A 32 8.785 -7.307 1.285 1.00 0.00 O ATOM 0 H SER A 32 6.805 -5.504 0.140 1.00 0.00 H new ATOM 0 HA SER A 32 5.447 -7.493 1.545 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.382 -8.802 1.202 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.357 -7.678 -0.142 1.00 0.00 H new ATOM 0 HG SER A 32 8.791 -6.329 1.348 1.00 0.00 H new ATOM 484 N GLN A 33 7.269 -5.699 3.555 1.00 0.00 N ATOM 485 CA GLN A 33 7.473 -5.347 4.946 1.00 0.00 C ATOM 486 C GLN A 33 6.421 -4.374 5.479 1.00 0.00 C ATOM 487 O GLN A 33 6.256 -4.343 6.688 1.00 0.00 O ATOM 488 CB GLN A 33 8.912 -4.858 5.175 1.00 0.00 C ATOM 489 CG GLN A 33 9.971 -5.852 4.660 1.00 0.00 C ATOM 490 CD GLN A 33 9.645 -7.311 5.000 1.00 0.00 C ATOM 491 OE1 GLN A 33 9.408 -7.673 6.146 1.00 0.00 O ATOM 492 NE2 GLN A 33 9.532 -8.180 4.009 1.00 0.00 N ATOM 0 H GLN A 33 7.676 -5.026 2.906 1.00 0.00 H new ATOM 0 HA GLN A 33 7.336 -6.254 5.535 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.048 -3.899 4.676 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.068 -4.688 6.240 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.061 -5.749 3.579 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.940 -5.594 5.087 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.727 -7.889 3.051 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.250 -9.141 4.203 1.00 0.00 H new ATOM 501 N VAL A 34 5.661 -3.629 4.667 1.00 0.00 N ATOM 502 CA VAL A 34 4.569 -2.782 5.151 1.00 0.00 C ATOM 503 C VAL A 34 3.562 -3.707 5.817 1.00 0.00 C ATOM 504 O VAL A 34 3.021 -3.418 6.884 1.00 0.00 O ATOM 505 CB VAL A 34 3.883 -1.942 4.045 1.00 0.00 C ATOM 506 CG1 VAL A 34 2.791 -2.548 3.137 1.00 0.00 C ATOM 507 CG2 VAL A 34 3.222 -0.748 4.675 1.00 0.00 C ATOM 0 H VAL A 34 5.788 -3.598 3.655 1.00 0.00 H new ATOM 0 HA VAL A 34 4.979 -2.047 5.843 1.00 0.00 H new ATOM 0 HB VAL A 34 4.734 -1.772 3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.444 -1.793 2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.203 -3.395 2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.955 -2.885 3.749 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.737 -0.151 3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.477 -1.083 5.397 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.973 -0.143 5.183 1.00 0.00 H new ATOM 517 N CYS A 35 3.367 -4.869 5.190 1.00 0.00 N ATOM 518 CA CYS A 35 2.512 -5.898 5.704 1.00 0.00 C ATOM 519 C CYS A 35 3.156 -6.467 6.950 1.00 0.00 C ATOM 520 O CYS A 35 2.431 -6.685 7.913 1.00 0.00 O ATOM 521 CB CYS A 35 2.315 -6.983 4.653 1.00 0.00 C ATOM 522 SG CYS A 35 1.685 -6.438 3.043 1.00 0.00 S ATOM 0 H CYS A 35 3.811 -5.108 4.303 1.00 0.00 H new ATOM 0 HA CYS A 35 1.531 -5.491 5.952 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.270 -7.483 4.495 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.628 -7.728 5.055 1.00 0.00 H new ATOM 527 N ASP A 36 4.440 -6.865 6.914 1.00 0.00 N ATOM 528 CA ASP A 36 5.054 -7.267 8.192 1.00 0.00 C ATOM 529 C ASP A 36 4.912 -6.235 9.328 1.00 0.00 C ATOM 530 O ASP A 36 4.563 -6.601 10.444 1.00 0.00 O ATOM 531 CB ASP A 36 6.494 -7.769 8.119 1.00 0.00 C ATOM 532 CG ASP A 36 6.700 -8.602 9.393 1.00 0.00 C ATOM 533 OD1 ASP A 36 6.153 -9.733 9.378 1.00 0.00 O ATOM 534 OD2 ASP A 36 7.223 -8.115 10.421 1.00 0.00 O ATOM 0 H ASP A 36 5.034 -6.916 6.086 1.00 0.00 H new ATOM 0 HA ASP A 36 4.441 -8.133 8.443 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.655 -8.372 7.225 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.198 -6.938 8.075 1.00 0.00 H new ATOM 539 N LYS A 37 5.012 -4.935 9.030 1.00 0.00 N ATOM 540 CA LYS A 37 5.042 -3.844 10.009 1.00 0.00 C ATOM 541 C LYS A 37 3.632 -3.717 10.560 1.00 0.00 C ATOM 542 O LYS A 37 3.478 -3.591 11.775 1.00 0.00 O ATOM 543 CB LYS A 37 5.558 -2.565 9.295 1.00 0.00 C ATOM 544 CG LYS A 37 5.918 -1.335 10.161 1.00 0.00 C ATOM 545 CD LYS A 37 6.571 -0.235 9.284 1.00 0.00 C ATOM 546 CE LYS A 37 7.079 1.002 10.053 1.00 0.00 C ATOM 547 NZ LYS A 37 7.614 2.108 9.202 1.00 0.00 N ATOM 0 H LYS A 37 5.076 -4.603 8.068 1.00 0.00 H new ATOM 0 HA LYS A 37 5.717 -4.022 10.846 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.444 -2.839 8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.798 -2.255 8.578 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.021 -0.943 10.640 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.602 -1.629 10.957 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.408 -0.675 8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.845 0.092 8.540 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.262 1.394 10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.862 0.685 10.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.007 2.855 9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.362 1.738 8.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.846 2.502 8.622 1.00 0.00 H new ATOM 561 N LEU A 38 2.600 -3.763 9.714 1.00 0.00 N ATOM 562 CA LEU A 38 1.230 -3.800 10.197 1.00 0.00 C ATOM 563 C LEU A 38 0.968 -5.262 10.564 1.00 0.00 C ATOM 564 O LEU A 38 0.245 -5.963 9.850 1.00 0.00 O ATOM 565 CB LEU A 38 0.232 -3.312 9.132 1.00 0.00 C ATOM 566 CG LEU A 38 0.374 -1.833 8.758 1.00 0.00 C ATOM 567 CD1 LEU A 38 -0.675 -1.501 7.703 1.00 0.00 C ATOM 568 CD2 LEU A 38 0.196 -0.883 9.952 1.00 0.00 C ATOM 0 H LEU A 38 2.692 -3.775 8.698 1.00 0.00 H new ATOM 0 HA LEU A 38 1.096 -3.134 11.049 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.357 -3.915 8.232 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.781 -3.486 9.495 1.00 0.00 H new ATOM 0 HG LEU A 38 1.388 -1.687 8.386 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.590 -0.451 7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.516 -2.125 6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.670 -1.689 8.107 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.309 0.148 9.617 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.797 -1.019 10.380 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.950 -1.103 10.708 1.00 0.00 H new ATOM 580 N LYS A 39 1.454 -5.714 11.725 1.00 0.00 N ATOM 581 CA LYS A 39 1.193 -7.088 12.152 1.00 0.00 C ATOM 582 C LYS A 39 -0.230 -7.156 12.702 1.00 0.00 C ATOM 583 O LYS A 39 -0.860 -6.120 12.909 1.00 0.00 O ATOM 584 CB LYS A 39 2.383 -7.752 12.877 1.00 0.00 C ATOM 585 CG LYS A 39 3.096 -6.983 14.012 1.00 0.00 C ATOM 586 CD LYS A 39 4.544 -7.486 14.260 1.00 0.00 C ATOM 587 CE LYS A 39 5.428 -7.277 13.012 1.00 0.00 C ATOM 588 NZ LYS A 39 6.838 -7.714 13.104 1.00 0.00 N ATOM 0 H LYS A 39 2.017 -5.161 12.371 1.00 0.00 H new ATOM 0 HA LYS A 39 1.166 -7.801 11.328 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.030 -8.696 13.291 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.132 -7.995 12.124 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.122 -5.922 13.766 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.519 -7.083 14.931 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.976 -6.955 15.108 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.525 -8.544 14.522 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.965 -7.803 12.177 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.418 -6.215 12.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.148 -8.082 12.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.435 -6.906 13.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.924 -8.461 13.822 1.00 0.00 H new ATOM 602 N ILE A 40 -0.775 -8.373 12.820 1.00 0.00 N ATOM 603 CA ILE A 40 -2.170 -8.698 13.175 1.00 0.00 C ATOM 604 C ILE A 40 -2.926 -8.519 11.847 1.00 0.00 C ATOM 605 O ILE A 40 -3.398 -9.490 11.263 1.00 0.00 O ATOM 606 CB ILE A 40 -2.785 -7.902 14.365 1.00 0.00 C ATOM 607 CG1 ILE A 40 -2.033 -8.273 15.663 1.00 0.00 C ATOM 608 CG2 ILE A 40 -4.301 -8.174 14.483 1.00 0.00 C ATOM 609 CD1 ILE A 40 -2.416 -7.412 16.873 1.00 0.00 C ATOM 0 H ILE A 40 -0.221 -9.214 12.661 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.241 -9.707 13.580 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.670 -6.833 14.189 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.229 -9.319 15.898 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.961 -8.181 15.489 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.708 -7.608 15.321 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.798 -7.868 13.562 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.468 -9.238 14.649 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.846 -7.734 17.744 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.194 -6.366 16.660 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.481 -7.523 17.076 1.00 0.00 H new ATOM 621 N LEU A 41 -2.846 -7.330 11.245 1.00 0.00 N ATOM 622 CA LEU A 41 -3.452 -6.966 9.961 1.00 0.00 C ATOM 623 C LEU A 41 -2.547 -7.416 8.783 1.00 0.00 C ATOM 624 O LEU A 41 -2.814 -7.142 7.610 1.00 0.00 O ATOM 625 CB LEU A 41 -3.697 -5.440 10.041 1.00 0.00 C ATOM 626 CG LEU A 41 -4.726 -4.774 9.101 1.00 0.00 C ATOM 627 CD1 LEU A 41 -4.063 -4.102 7.899 1.00 0.00 C ATOM 628 CD2 LEU A 41 -5.868 -5.695 8.663 1.00 0.00 C ATOM 0 H LEU A 41 -2.330 -6.555 11.661 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.399 -7.472 9.770 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.997 -5.213 11.064 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.739 -4.948 9.874 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.190 -3.997 9.709 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.828 -3.648 7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.375 -3.331 8.247 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.513 -4.847 7.324 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.544 -5.149 8.006 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.459 -6.554 8.130 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.415 -6.039 9.541 1.00 0.00 H new ATOM 640 N ARG A 42 -1.545 -8.253 9.089 1.00 0.00 N ATOM 641 CA ARG A 42 -0.467 -8.755 8.231 1.00 0.00 C ATOM 642 C ARG A 42 -1.065 -9.487 7.031 1.00 0.00 C ATOM 643 O ARG A 42 -0.588 -9.337 5.903 1.00 0.00 O ATOM 644 CB ARG A 42 0.374 -9.722 9.106 1.00 0.00 C ATOM 645 CG ARG A 42 1.818 -10.035 8.668 1.00 0.00 C ATOM 646 CD ARG A 42 2.387 -11.144 9.582 1.00 0.00 C ATOM 647 NE ARG A 42 3.851 -11.328 9.478 1.00 0.00 N ATOM 648 CZ ARG A 42 4.554 -12.445 9.733 1.00 0.00 C ATOM 649 NH1 ARG A 42 3.952 -13.609 9.981 1.00 0.00 N ATOM 650 NH2 ARG A 42 5.879 -12.382 9.738 1.00 0.00 N ATOM 0 H ARG A 42 -1.463 -8.630 10.033 1.00 0.00 H new ATOM 0 HA ARG A 42 0.154 -7.947 7.845 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.415 -9.308 10.114 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.166 -10.667 9.171 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.835 -10.358 7.627 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.435 -9.139 8.733 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.135 -10.911 10.616 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.896 -12.086 9.339 1.00 0.00 H new ATOM 0 HE ARG A 42 4.388 -10.514 9.179 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.934 -13.667 9.980 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.510 -14.441 10.171 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.348 -11.496 9.550 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.429 -13.220 9.930 1.00 0.00 H new ATOM 664 N GLY A 43 -2.100 -10.291 7.294 1.00 0.00 N ATOM 665 CA GLY A 43 -2.816 -11.083 6.313 1.00 0.00 C ATOM 666 C GLY A 43 -3.481 -10.237 5.233 1.00 0.00 C ATOM 667 O GLY A 43 -3.278 -10.511 4.050 1.00 0.00 O ATOM 0 H GLY A 43 -2.470 -10.406 8.238 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.124 -11.782 5.844 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.576 -11.678 6.820 1.00 0.00 H new ATOM 671 N LEU A 44 -4.266 -9.218 5.617 1.00 0.00 N ATOM 672 CA LEU A 44 -5.047 -8.445 4.655 1.00 0.00 C ATOM 673 C LEU A 44 -4.108 -7.749 3.681 1.00 0.00 C ATOM 674 O LEU A 44 -4.303 -7.847 2.473 1.00 0.00 O ATOM 675 CB LEU A 44 -5.979 -7.442 5.357 1.00 0.00 C ATOM 676 CG LEU A 44 -7.134 -7.007 4.430 1.00 0.00 C ATOM 677 CD1 LEU A 44 -8.240 -8.071 4.401 1.00 0.00 C ATOM 678 CD2 LEU A 44 -7.739 -5.682 4.896 1.00 0.00 C ATOM 0 H LEU A 44 -4.373 -8.916 6.585 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.689 -9.127 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.386 -7.893 6.262 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.408 -6.566 5.666 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.719 -6.884 3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.043 -7.743 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.830 -9.012 4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.633 -8.215 5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.551 -5.397 4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.127 -5.795 5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.972 -4.908 4.886 1.00 0.00 H new ATOM 690 N CYS A 45 -3.064 -7.102 4.207 1.00 0.00 N ATOM 691 CA CYS A 45 -2.013 -6.501 3.421 1.00 0.00 C ATOM 692 C CYS A 45 -1.420 -7.508 2.436 1.00 0.00 C ATOM 693 O CYS A 45 -1.485 -7.264 1.235 1.00 0.00 O ATOM 694 CB CYS A 45 -0.975 -5.914 4.371 1.00 0.00 C ATOM 695 SG CYS A 45 0.337 -5.005 3.537 1.00 0.00 S ATOM 0 H CYS A 45 -2.935 -6.986 5.212 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.412 -5.693 2.808 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.475 -5.249 5.075 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.532 -6.721 4.954 1.00 0.00 H new ATOM 700 N LYS A 46 -0.867 -8.641 2.893 1.00 0.00 N ATOM 701 CA LYS A 46 -0.265 -9.614 1.971 1.00 0.00 C ATOM 702 C LYS A 46 -1.262 -10.084 0.902 1.00 0.00 C ATOM 703 O LYS A 46 -0.857 -10.221 -0.255 1.00 0.00 O ATOM 704 CB LYS A 46 0.472 -10.745 2.718 1.00 0.00 C ATOM 705 CG LYS A 46 1.883 -10.278 3.146 1.00 0.00 C ATOM 706 CD LYS A 46 2.593 -11.208 4.145 1.00 0.00 C ATOM 707 CE LYS A 46 4.138 -11.126 4.111 1.00 0.00 C ATOM 708 NZ LYS A 46 4.732 -9.888 4.684 1.00 0.00 N ATOM 0 H LYS A 46 -0.824 -8.903 3.878 1.00 0.00 H new ATOM 0 HA LYS A 46 0.519 -9.105 1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.101 -11.043 3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.551 -11.622 2.076 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.504 -10.181 2.256 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.803 -9.285 3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.251 -10.968 5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.292 -12.236 3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.541 -11.983 4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.466 -11.218 3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.514 -10.141 5.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.093 -9.288 3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.005 -9.369 5.217 1.00 0.00 H new ATOM 722 N LYS A 47 -2.543 -10.300 1.233 1.00 0.00 N ATOM 723 CA LYS A 47 -3.550 -10.615 0.215 1.00 0.00 C ATOM 724 C LYS A 47 -3.651 -9.470 -0.787 1.00 0.00 C ATOM 725 O LYS A 47 -3.537 -9.742 -1.978 1.00 0.00 O ATOM 726 CB LYS A 47 -4.906 -10.980 0.824 1.00 0.00 C ATOM 727 CG LYS A 47 -6.001 -11.186 -0.243 1.00 0.00 C ATOM 728 CD LYS A 47 -5.733 -12.219 -1.359 1.00 0.00 C ATOM 729 CE LYS A 47 -6.751 -12.129 -2.515 1.00 0.00 C ATOM 730 NZ LYS A 47 -8.125 -12.548 -2.147 1.00 0.00 N ATOM 0 H LYS A 47 -2.902 -10.263 2.187 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.224 -11.508 -0.319 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.802 -11.891 1.413 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.216 -10.191 1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.918 -11.477 0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.193 -10.223 -0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.728 -12.068 -1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.761 -13.222 -0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.781 -11.102 -2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.403 -12.749 -3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.748 -12.459 -2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.112 -13.538 -1.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.479 -11.941 -1.380 1.00 0.00 H new ATOM 744 N ILE A 48 -3.891 -8.236 -0.340 1.00 0.00 N ATOM 745 CA ILE A 48 -4.057 -7.070 -1.207 1.00 0.00 C ATOM 746 C ILE A 48 -2.839 -6.946 -2.126 1.00 0.00 C ATOM 747 O ILE A 48 -3.020 -6.795 -3.330 1.00 0.00 O ATOM 748 CB ILE A 48 -4.346 -5.802 -0.359 1.00 0.00 C ATOM 749 CG1 ILE A 48 -5.790 -5.884 0.198 1.00 0.00 C ATOM 750 CG2 ILE A 48 -4.174 -4.497 -1.163 1.00 0.00 C ATOM 751 CD1 ILE A 48 -6.095 -4.874 1.312 1.00 0.00 C ATOM 0 H ILE A 48 -3.977 -8.016 0.652 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.926 -7.191 -1.854 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.619 -5.775 0.453 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.492 -5.727 -0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.964 -6.891 0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.389 -3.643 -0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.150 -4.427 -1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.862 -4.497 -2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.125 -4.999 1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.420 -5.043 2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.957 -3.861 0.933 1.00 0.00 H new ATOM 763 N MET A 49 -1.622 -7.067 -1.591 1.00 0.00 N ATOM 764 CA MET A 49 -0.395 -6.979 -2.372 1.00 0.00 C ATOM 765 C MET A 49 -0.352 -8.057 -3.452 1.00 0.00 C ATOM 766 O MET A 49 -0.120 -7.717 -4.604 1.00 0.00 O ATOM 767 CB MET A 49 0.844 -7.017 -1.460 1.00 0.00 C ATOM 768 CG MET A 49 0.922 -5.798 -0.530 1.00 0.00 C ATOM 769 SD MET A 49 0.768 -4.186 -1.342 1.00 0.00 S ATOM 770 CE MET A 49 0.395 -3.159 0.102 1.00 0.00 C ATOM 0 H MET A 49 -1.464 -7.230 -0.597 1.00 0.00 H new ATOM 0 HA MET A 49 -0.384 -6.017 -2.884 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.823 -7.927 -0.861 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.743 -7.060 -2.074 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.136 -5.884 0.220 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.873 -5.828 0.001 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.776 -2.151 -0.060 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.684 -3.120 0.251 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.868 -3.588 0.985 1.00 0.00 H new ATOM 780 N ARG A 50 -0.613 -9.339 -3.156 1.00 0.00 N ATOM 781 CA ARG A 50 -0.640 -10.344 -4.232 1.00 0.00 C ATOM 782 C ARG A 50 -1.714 -10.003 -5.260 1.00 0.00 C ATOM 783 O ARG A 50 -1.478 -10.099 -6.458 1.00 0.00 O ATOM 784 CB ARG A 50 -0.867 -11.748 -3.651 1.00 0.00 C ATOM 785 CG ARG A 50 -1.095 -12.871 -4.690 1.00 0.00 C ATOM 786 CD ARG A 50 -0.108 -12.970 -5.873 1.00 0.00 C ATOM 787 NE ARG A 50 1.147 -13.680 -5.559 1.00 0.00 N ATOM 788 CZ ARG A 50 2.079 -14.017 -6.469 1.00 0.00 C ATOM 789 NH1 ARG A 50 1.952 -13.637 -7.741 1.00 0.00 N ATOM 790 NH2 ARG A 50 3.137 -14.739 -6.106 1.00 0.00 N ATOM 0 H ARG A 50 -0.802 -9.696 -2.219 1.00 0.00 H new ATOM 0 HA ARG A 50 0.326 -10.335 -4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.004 -12.013 -3.039 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.730 -11.712 -2.986 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.080 -13.824 -4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.098 -12.749 -5.100 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.602 -13.478 -6.701 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.133 -11.964 -6.215 1.00 0.00 H new ATOM 0 HE ARG A 50 1.320 -13.932 -4.586 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.144 -13.086 -8.031 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.663 -13.897 -8.424 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.242 -15.038 -5.136 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.842 -14.993 -6.797 1.00 0.00 H new ATOM 804 N SER A 51 -2.897 -9.681 -4.761 1.00 0.00 N ATOM 805 CA SER A 51 -4.094 -9.445 -5.550 1.00 0.00 C ATOM 806 C SER A 51 -3.940 -8.261 -6.514 1.00 0.00 C ATOM 807 O SER A 51 -4.414 -8.356 -7.642 1.00 0.00 O ATOM 808 CB SER A 51 -5.264 -9.226 -4.577 1.00 0.00 C ATOM 809 OG SER A 51 -6.533 -9.451 -5.154 1.00 0.00 O ATOM 0 H SER A 51 -3.055 -9.573 -3.759 1.00 0.00 H new ATOM 0 HA SER A 51 -4.282 -10.313 -6.182 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.142 -9.889 -3.721 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.223 -8.205 -4.198 1.00 0.00 H new ATOM 0 HG SER A 51 -6.986 -8.593 -5.293 1.00 0.00 H new ATOM 815 N PHE A 52 -3.298 -7.161 -6.102 1.00 0.00 N ATOM 816 CA PHE A 52 -3.220 -5.933 -6.886 1.00 0.00 C ATOM 817 C PHE A 52 -1.859 -5.240 -6.711 1.00 0.00 C ATOM 818 O PHE A 52 -1.817 -4.024 -6.522 1.00 0.00 O ATOM 819 CB PHE A 52 -4.364 -4.992 -6.439 1.00 0.00 C ATOM 820 CG PHE A 52 -5.751 -5.584 -6.266 1.00 0.00 C ATOM 821 CD1 PHE A 52 -6.454 -6.095 -7.374 1.00 0.00 C ATOM 822 CD2 PHE A 52 -6.365 -5.570 -4.998 1.00 0.00 C ATOM 823 CE1 PHE A 52 -7.762 -6.584 -7.214 1.00 0.00 C ATOM 824 CE2 PHE A 52 -7.678 -6.047 -4.841 1.00 0.00 C ATOM 825 CZ PHE A 52 -8.379 -6.547 -5.952 1.00 0.00 C ATOM 0 H PHE A 52 -2.815 -7.103 -5.205 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.324 -6.177 -7.943 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.073 -4.541 -5.490 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.435 -4.184 -7.167 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.988 -6.111 -8.348 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.825 -5.191 -4.143 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.294 -6.989 -8.062 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.147 -6.029 -3.868 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.392 -6.903 -5.836 1.00 0.00 H new ATOM 835 N LEU A 53 -0.736 -5.947 -6.883 1.00 0.00 N ATOM 836 CA LEU A 53 0.586 -5.383 -6.589 1.00 0.00 C ATOM 837 C LEU A 53 0.829 -4.121 -7.418 1.00 0.00 C ATOM 838 O LEU A 53 1.000 -3.037 -6.860 1.00 0.00 O ATOM 839 CB LEU A 53 1.689 -6.434 -6.853 1.00 0.00 C ATOM 840 CG LEU A 53 3.034 -6.187 -6.129 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.588 -4.768 -6.251 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.924 -6.531 -4.640 1.00 0.00 C ATOM 0 H LEU A 53 -0.716 -6.908 -7.223 1.00 0.00 H new ATOM 0 HA LEU A 53 0.619 -5.107 -5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.312 -7.413 -6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.877 -6.476 -7.926 1.00 0.00 H new ATOM 0 HG LEU A 53 3.734 -6.846 -6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.532 -4.698 -5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.754 -4.531 -7.302 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.874 -4.061 -5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.882 -6.349 -4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.158 -5.908 -4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.654 -7.581 -4.528 1.00 0.00 H new ATOM 854 N ARG A 54 0.791 -4.223 -8.750 1.00 0.00 N ATOM 855 CA ARG A 54 1.138 -3.070 -9.578 1.00 0.00 C ATOM 856 C ARG A 54 0.142 -1.918 -9.407 1.00 0.00 C ATOM 857 O ARG A 54 0.497 -0.781 -9.709 1.00 0.00 O ATOM 858 CB ARG A 54 1.345 -3.471 -11.051 1.00 0.00 C ATOM 859 CG ARG A 54 2.199 -2.406 -11.764 1.00 0.00 C ATOM 860 CD ARG A 54 2.787 -2.857 -13.108 1.00 0.00 C ATOM 861 NE ARG A 54 4.004 -2.089 -13.433 1.00 0.00 N ATOM 862 CZ ARG A 54 4.562 -1.889 -14.634 1.00 0.00 C ATOM 863 NH1 ARG A 54 3.924 -2.234 -15.754 1.00 0.00 N ATOM 864 NH2 ARG A 54 5.767 -1.346 -14.712 1.00 0.00 N ATOM 0 H ARG A 54 0.532 -5.065 -9.263 1.00 0.00 H new ATOM 0 HA ARG A 54 2.097 -2.691 -9.224 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.836 -4.442 -11.108 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.381 -3.571 -11.550 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.588 -1.519 -11.929 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.016 -2.112 -11.105 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.023 -3.920 -13.068 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.046 -2.724 -13.897 1.00 0.00 H new ATOM 0 HE ARG A 54 4.481 -1.655 -12.643 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.997 -2.657 -15.703 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.363 -2.075 -16.661 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.264 -1.083 -13.861 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.198 -1.191 -15.623 1.00 0.00 H new ATOM 878 N ARG A 55 -1.086 -2.151 -8.906 1.00 0.00 N ATOM 879 CA ARG A 55 -1.970 -1.043 -8.620 1.00 0.00 C ATOM 880 C ARG A 55 -1.329 -0.234 -7.477 1.00 0.00 C ATOM 881 O ARG A 55 -1.174 0.974 -7.592 1.00 0.00 O ATOM 882 CB ARG A 55 -3.391 -1.509 -8.250 1.00 0.00 C ATOM 883 CG ARG A 55 -4.367 -1.937 -9.374 1.00 0.00 C ATOM 884 CD ARG A 55 -4.975 -0.840 -10.293 1.00 0.00 C ATOM 885 NE ARG A 55 -6.422 -0.591 -10.046 1.00 0.00 N ATOM 886 CZ ARG A 55 -7.122 0.555 -10.205 1.00 0.00 C ATOM 887 NH1 ARG A 55 -6.580 1.661 -10.689 1.00 0.00 N ATOM 888 NH2 ARG A 55 -8.395 0.633 -9.835 1.00 0.00 N ATOM 0 H ARG A 55 -1.466 -3.075 -8.701 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.089 -0.426 -9.511 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.291 -2.351 -7.565 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.866 -0.701 -7.694 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.844 -2.650 -10.012 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.194 -2.473 -8.908 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.425 0.090 -10.148 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.838 -1.133 -11.334 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.957 -1.393 -9.712 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.596 1.671 -10.959 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.146 2.503 -10.792 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.857 -0.178 -9.425 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.910 1.504 -9.961 1.00 0.00 H new ATOM 902 N ILE A 56 -0.917 -0.875 -6.384 1.00 0.00 N ATOM 903 CA ILE A 56 -0.320 -0.182 -5.238 1.00 0.00 C ATOM 904 C ILE A 56 0.952 0.567 -5.663 1.00 0.00 C ATOM 905 O ILE A 56 1.223 1.631 -5.110 1.00 0.00 O ATOM 906 CB ILE A 56 -0.138 -1.186 -4.074 1.00 0.00 C ATOM 907 CG1 ILE A 56 -1.459 -1.399 -3.290 1.00 0.00 C ATOM 908 CG2 ILE A 56 0.943 -0.753 -3.065 1.00 0.00 C ATOM 909 CD1 ILE A 56 -2.745 -1.537 -4.120 1.00 0.00 C ATOM 0 H ILE A 56 -0.986 -1.886 -6.266 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.982 0.597 -4.861 1.00 0.00 H new ATOM 0 HB ILE A 56 0.176 -2.114 -4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.351 -2.296 -2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.586 -0.561 -2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.022 -1.499 -2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.902 -0.663 -3.575 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.671 0.209 -2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.595 -1.681 -3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.896 -0.633 -4.710 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.657 -2.395 -4.787 1.00 0.00 H new ATOM 921 N SER A 57 1.652 0.106 -6.702 1.00 0.00 N ATOM 922 CA SER A 57 2.805 0.814 -7.229 1.00 0.00 C ATOM 923 C SER A 57 2.323 2.116 -7.879 1.00 0.00 C ATOM 924 O SER A 57 2.667 3.183 -7.375 1.00 0.00 O ATOM 925 CB SER A 57 3.545 -0.106 -8.208 1.00 0.00 C ATOM 926 OG SER A 57 4.612 0.553 -8.836 1.00 0.00 O ATOM 0 H SER A 57 1.433 -0.761 -7.193 1.00 0.00 H new ATOM 0 HA SER A 57 3.510 1.082 -6.442 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.921 -0.979 -7.674 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.848 -0.470 -8.963 1.00 0.00 H new ATOM 0 HG SER A 57 4.683 0.250 -9.765 1.00 0.00 H new ATOM 932 N TRP A 58 1.464 2.060 -8.909 1.00 0.00 N ATOM 933 CA TRP A 58 0.867 3.248 -9.531 1.00 0.00 C ATOM 934 C TRP A 58 0.336 4.220 -8.470 1.00 0.00 C ATOM 935 O TRP A 58 0.582 5.421 -8.562 1.00 0.00 O ATOM 936 CB TRP A 58 -0.206 2.870 -10.576 1.00 0.00 C ATOM 937 CG TRP A 58 -1.459 3.705 -10.551 1.00 0.00 C ATOM 938 CD1 TRP A 58 -1.589 4.986 -10.960 1.00 0.00 C ATOM 939 CD2 TRP A 58 -2.732 3.379 -9.932 1.00 0.00 C ATOM 940 NE1 TRP A 58 -2.842 5.464 -10.623 1.00 0.00 N ATOM 941 CE2 TRP A 58 -3.578 4.519 -9.935 1.00 0.00 C ATOM 942 CE3 TRP A 58 -3.233 2.229 -9.315 1.00 0.00 C ATOM 943 CZ2 TRP A 58 -4.837 4.501 -9.307 1.00 0.00 C ATOM 944 CZ3 TRP A 58 -4.463 2.198 -8.669 1.00 0.00 C ATOM 945 CH2 TRP A 58 -5.265 3.338 -8.637 1.00 0.00 C ATOM 0 H TRP A 58 1.164 1.183 -9.335 1.00 0.00 H new ATOM 0 HA TRP A 58 1.654 3.770 -10.076 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.238 2.942 -11.569 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.483 1.827 -10.426 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.827 5.553 -11.474 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.181 6.398 -10.854 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.639 1.327 -9.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.472 5.374 -9.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -4.798 1.289 -8.191 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -6.204 3.330 -8.104 1.00 0.00 H new ATOM 956 N ASP A 59 -0.428 3.717 -7.499 1.00 0.00 N ATOM 957 CA ASP A 59 -1.035 4.498 -6.428 1.00 0.00 C ATOM 958 C ASP A 59 -0.018 5.390 -5.724 1.00 0.00 C ATOM 959 O ASP A 59 -0.225 6.601 -5.628 1.00 0.00 O ATOM 960 CB ASP A 59 -1.706 3.571 -5.403 1.00 0.00 C ATOM 961 CG ASP A 59 -3.078 3.111 -5.853 1.00 0.00 C ATOM 962 OD1 ASP A 59 -3.935 3.964 -6.154 1.00 0.00 O ATOM 963 OD2 ASP A 59 -3.465 1.815 -5.830 1.00 0.00 O ATOM 0 H ASP A 59 -0.646 2.723 -7.437 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.786 5.142 -6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.071 2.701 -5.233 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.795 4.092 -4.449 1.00 0.00 H new ATOM 969 N ILE A 60 1.037 4.782 -5.180 1.00 0.00 N ATOM 970 CA ILE A 60 2.142 5.481 -4.542 1.00 0.00 C ATOM 971 C ILE A 60 2.852 6.403 -5.545 1.00 0.00 C ATOM 972 O ILE A 60 3.058 7.572 -5.232 1.00 0.00 O ATOM 973 CB ILE A 60 3.050 4.454 -3.823 1.00 0.00 C ATOM 974 CG1 ILE A 60 2.537 4.015 -2.430 1.00 0.00 C ATOM 975 CG2 ILE A 60 4.468 4.980 -3.602 1.00 0.00 C ATOM 976 CD1 ILE A 60 1.061 3.654 -2.285 1.00 0.00 C ATOM 0 H ILE A 60 1.145 3.768 -5.173 1.00 0.00 H new ATOM 0 HA ILE A 60 1.783 6.155 -3.764 1.00 0.00 H new ATOM 0 HB ILE A 60 3.039 3.603 -4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.123 3.151 -2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.754 4.819 -1.727 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.063 4.221 -3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.923 5.214 -4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.431 5.881 -2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.856 3.368 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.448 4.515 -2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.823 2.821 -2.947 1.00 0.00 H new ATOM 988 N LEU A 61 3.220 5.908 -6.732 1.00 0.00 N ATOM 989 CA LEU A 61 3.995 6.658 -7.726 1.00 0.00 C ATOM 990 C LEU A 61 3.270 7.931 -8.173 1.00 0.00 C ATOM 991 O LEU A 61 3.903 8.966 -8.342 1.00 0.00 O ATOM 992 CB LEU A 61 4.297 5.784 -8.958 1.00 0.00 C ATOM 993 CG LEU A 61 5.270 4.610 -8.718 1.00 0.00 C ATOM 994 CD1 LEU A 61 5.219 3.665 -9.923 1.00 0.00 C ATOM 995 CD2 LEU A 61 6.721 5.052 -8.512 1.00 0.00 C ATOM 0 H LEU A 61 2.985 4.962 -7.033 1.00 0.00 H new ATOM 0 HA LEU A 61 4.930 6.945 -7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.357 5.382 -9.336 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.709 6.420 -9.741 1.00 0.00 H new ATOM 0 HG LEU A 61 4.947 4.118 -7.800 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.904 2.832 -9.762 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.205 3.283 -10.043 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.512 4.206 -10.823 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.349 4.176 -8.349 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.067 5.587 -9.396 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.782 5.708 -7.644 1.00 0.00 H new ATOM 1007 N THR A 62 1.946 7.885 -8.346 1.00 0.00 N ATOM 1008 CA THR A 62 1.133 9.057 -8.687 1.00 0.00 C ATOM 1009 C THR A 62 0.821 9.927 -7.457 1.00 0.00 C ATOM 1010 O THR A 62 -0.039 10.805 -7.526 1.00 0.00 O ATOM 1011 CB THR A 62 -0.131 8.640 -9.469 1.00 0.00 C ATOM 1012 OG1 THR A 62 -0.908 7.640 -8.827 1.00 0.00 O ATOM 1013 CG2 THR A 62 0.240 8.129 -10.866 1.00 0.00 C ATOM 0 H THR A 62 1.403 7.026 -8.253 1.00 0.00 H new ATOM 0 HA THR A 62 1.722 9.692 -9.349 1.00 0.00 H new ATOM 0 HB THR A 62 -0.736 9.545 -9.525 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.451 6.776 -8.896 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.665 7.840 -11.400 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.751 8.918 -11.418 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.898 7.265 -10.774 1.00 0.00 H new ATOM 1021 N GLY A 63 1.487 9.672 -6.325 1.00 0.00 N ATOM 1022 CA GLY A 63 1.288 10.288 -5.026 1.00 0.00 C ATOM 1023 C GLY A 63 -0.185 10.485 -4.700 1.00 0.00 C ATOM 1024 O GLY A 63 -0.555 11.500 -4.102 1.00 0.00 O ATOM 0 H GLY A 63 2.233 8.977 -6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.748 9.667 -4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.795 11.252 -5.002 1.00 0.00 H new ATOM 1028 N LYS A 64 -1.018 9.454 -4.876 1.00 0.00 N ATOM 1029 CA LYS A 64 -2.453 9.632 -4.709 1.00 0.00 C ATOM 1030 C LYS A 64 -2.702 9.392 -3.227 1.00 0.00 C ATOM 1031 O LYS A 64 -1.951 8.699 -2.541 1.00 0.00 O ATOM 1032 CB LYS A 64 -3.182 8.636 -5.639 1.00 0.00 C ATOM 1033 CG LYS A 64 -4.716 8.784 -5.619 1.00 0.00 C ATOM 1034 CD LYS A 64 -5.476 7.800 -6.533 1.00 0.00 C ATOM 1035 CE LYS A 64 -5.237 8.054 -8.033 1.00 0.00 C ATOM 1036 NZ LYS A 64 -6.446 7.804 -8.864 1.00 0.00 N ATOM 0 H LYS A 64 -0.726 8.510 -5.128 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.827 10.618 -4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.825 8.776 -6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.919 7.619 -5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.066 8.650 -4.595 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.972 9.802 -5.913 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.172 6.782 -6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.544 7.872 -6.325 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.912 9.085 -8.174 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.426 7.414 -8.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.212 7.942 -9.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.774 6.828 -8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.199 8.467 -8.590 1.00 0.00 H new ATOM 1050 N LYS A 65 -3.632 10.142 -2.646 1.00 0.00 N ATOM 1051 CA LYS A 65 -3.865 10.042 -1.203 1.00 0.00 C ATOM 1052 C LYS A 65 -4.554 8.715 -0.867 1.00 0.00 C ATOM 1053 O LYS A 65 -5.330 8.224 -1.683 1.00 0.00 O ATOM 1054 CB LYS A 65 -4.531 11.334 -0.700 1.00 0.00 C ATOM 1055 CG LYS A 65 -3.557 12.519 -0.443 1.00 0.00 C ATOM 1056 CD LYS A 65 -2.151 12.530 -1.095 1.00 0.00 C ATOM 1057 CE LYS A 65 -1.113 11.698 -0.311 1.00 0.00 C ATOM 1058 NZ LYS A 65 -0.304 10.772 -1.139 1.00 0.00 N ATOM 0 H LYS A 65 -4.226 10.812 -3.135 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.934 9.988 -0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.277 11.648 -1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.064 11.114 0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.066 13.430 -0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.414 12.591 0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.225 12.143 -2.111 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.800 13.559 -1.171 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.440 12.380 0.209 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.634 11.120 0.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.316 10.208 -0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.936 10.138 -1.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.276 11.320 -1.806 1.00 0.00 H new ATOM 1072 N PRO A 66 -4.464 8.225 0.379 1.00 0.00 N ATOM 1073 CA PRO A 66 -4.953 6.912 0.795 1.00 0.00 C ATOM 1074 C PRO A 66 -6.448 6.705 0.608 1.00 0.00 C ATOM 1075 O PRO A 66 -6.839 5.677 0.060 1.00 0.00 O ATOM 1076 CB PRO A 66 -4.510 6.734 2.252 1.00 0.00 C ATOM 1077 CG PRO A 66 -4.288 8.170 2.717 1.00 0.00 C ATOM 1078 CD PRO A 66 -3.714 8.814 1.466 1.00 0.00 C ATOM 0 HA PRO A 66 -4.526 6.144 0.150 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -5.271 6.229 2.847 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.600 6.139 2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.216 8.646 3.033 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.598 8.226 3.559 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.831 9.897 1.488 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.648 8.611 1.368 1.00 0.00 H new ATOM 1086 N GLN A 67 -7.291 7.644 1.060 1.00 0.00 N ATOM 1087 CA GLN A 67 -8.739 7.497 0.908 1.00 0.00 C ATOM 1088 C GLN A 67 -9.069 7.323 -0.575 1.00 0.00 C ATOM 1089 O GLN A 67 -9.856 6.450 -0.917 1.00 0.00 O ATOM 1090 CB GLN A 67 -9.469 8.704 1.535 1.00 0.00 C ATOM 1091 CG GLN A 67 -10.959 8.481 1.890 1.00 0.00 C ATOM 1092 CD GLN A 67 -11.984 8.467 0.743 1.00 0.00 C ATOM 1093 OE1 GLN A 67 -13.060 7.882 0.870 1.00 0.00 O ATOM 1094 NE2 GLN A 67 -11.744 9.166 -0.357 1.00 0.00 N ATOM 0 H GLN A 67 -6.997 8.502 1.528 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.086 6.610 1.438 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.939 8.994 2.442 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.402 9.544 0.844 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.037 7.531 2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.255 9.261 2.592 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.855 9.653 -0.468 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.449 9.217 -1.093 1.00 0.00 H new ATOM 1103 N ALA A 68 -8.410 8.077 -1.459 1.00 0.00 N ATOM 1104 CA ALA A 68 -8.723 8.033 -2.880 1.00 0.00 C ATOM 1105 C ALA A 68 -8.098 6.796 -3.520 1.00 0.00 C ATOM 1106 O ALA A 68 -8.747 6.210 -4.377 1.00 0.00 O ATOM 1107 CB ALA A 68 -8.216 9.309 -3.563 1.00 0.00 C ATOM 0 H ALA A 68 -7.659 8.722 -1.212 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.804 7.974 -3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.453 9.271 -4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.698 10.178 -3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.136 9.386 -3.434 1.00 0.00 H new ATOM 1113 N ILE A 69 -6.903 6.363 -3.096 1.00 0.00 N ATOM 1114 CA ILE A 69 -6.306 5.116 -3.575 1.00 0.00 C ATOM 1115 C ILE A 69 -7.293 3.980 -3.339 1.00 0.00 C ATOM 1116 O ILE A 69 -7.678 3.280 -4.271 1.00 0.00 O ATOM 1117 CB ILE A 69 -4.952 4.844 -2.860 1.00 0.00 C ATOM 1118 CG1 ILE A 69 -3.853 5.784 -3.393 1.00 0.00 C ATOM 1119 CG2 ILE A 69 -4.573 3.349 -2.973 1.00 0.00 C ATOM 1120 CD1 ILE A 69 -2.545 5.767 -2.593 1.00 0.00 C ATOM 0 H ILE A 69 -6.330 6.864 -2.417 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.096 5.193 -4.642 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.058 5.064 -1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.634 5.514 -4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.241 6.803 -3.406 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.623 3.175 -2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.348 2.741 -2.507 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.480 3.076 -4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.834 6.459 -3.044 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.743 6.069 -1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.127 4.761 -2.601 1.00 0.00 H new ATOM 1132 N CYS A 70 -7.666 3.782 -2.081 1.00 0.00 N ATOM 1133 CA CYS A 70 -8.520 2.698 -1.665 1.00 0.00 C ATOM 1134 C CYS A 70 -9.879 2.781 -2.349 1.00 0.00 C ATOM 1135 O CYS A 70 -10.392 1.716 -2.648 1.00 0.00 O ATOM 1136 CB CYS A 70 -8.583 2.690 -0.144 1.00 0.00 C ATOM 1137 SG CYS A 70 -6.980 2.342 0.619 1.00 0.00 S ATOM 0 H CYS A 70 -7.373 4.387 -1.314 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.111 1.737 -1.979 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -8.945 3.657 0.206 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.306 1.942 0.182 1.00 0.00 H new ATOM 1142 N VAL A 71 -10.513 3.942 -2.573 1.00 0.00 N ATOM 1143 CA VAL A 71 -11.764 3.909 -3.343 1.00 0.00 C ATOM 1144 C VAL A 71 -11.479 3.577 -4.825 1.00 0.00 C ATOM 1145 O VAL A 71 -12.263 2.845 -5.413 1.00 0.00 O ATOM 1146 CB VAL A 71 -12.629 5.180 -3.201 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -14.031 4.948 -3.816 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -12.917 5.540 -1.743 1.00 0.00 C ATOM 0 H VAL A 71 -10.205 4.861 -2.255 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.366 3.111 -2.909 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.060 5.967 -3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.630 5.853 -3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.929 4.704 -4.873 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.523 4.124 -3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.529 6.441 -1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.451 4.719 -1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.977 5.717 -1.219 1.00 0.00 H new ATOM 1158 N ASP A 72 -10.369 4.033 -5.426 1.00 0.00 N ATOM 1159 CA ASP A 72 -10.045 3.783 -6.845 1.00 0.00 C ATOM 1160 C ASP A 72 -9.938 2.281 -7.122 1.00 0.00 C ATOM 1161 O ASP A 72 -10.529 1.746 -8.057 1.00 0.00 O ATOM 1162 CB ASP A 72 -8.736 4.502 -7.209 1.00 0.00 C ATOM 1163 CG ASP A 72 -8.375 4.502 -8.700 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -8.344 3.428 -9.348 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -7.931 5.591 -9.139 1.00 0.00 O ATOM 0 H ASP A 72 -9.665 4.589 -4.941 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.849 4.177 -7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.803 5.536 -6.869 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.920 4.037 -6.656 1.00 0.00 H new ATOM 1170 N ILE A 73 -9.184 1.574 -6.280 1.00 0.00 N ATOM 1171 CA ILE A 73 -9.042 0.115 -6.344 1.00 0.00 C ATOM 1172 C ILE A 73 -10.215 -0.624 -5.665 1.00 0.00 C ATOM 1173 O ILE A 73 -10.269 -1.851 -5.675 1.00 0.00 O ATOM 1174 CB ILE A 73 -7.663 -0.277 -5.794 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -7.597 -0.076 -4.272 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -6.558 0.505 -6.513 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -6.195 -0.247 -3.699 1.00 0.00 C ATOM 0 H ILE A 73 -8.648 2.001 -5.525 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.093 -0.207 -7.384 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.504 -1.338 -5.987 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.962 0.922 -4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.268 -0.787 -3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.587 0.215 -6.111 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.590 0.283 -7.580 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.710 1.573 -6.360 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.221 -0.091 -2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.835 -1.254 -3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.524 0.482 -4.154 1.00 0.00 H new ATOM 1189 N LYS A 74 -11.114 0.146 -5.058 1.00 0.00 N ATOM 1190 CA LYS A 74 -12.385 -0.091 -4.423 1.00 0.00 C ATOM 1191 C LYS A 74 -12.247 -1.085 -3.282 1.00 0.00 C ATOM 1192 O LYS A 74 -12.496 -2.281 -3.410 1.00 0.00 O ATOM 1193 CB LYS A 74 -13.399 -0.366 -5.519 1.00 0.00 C ATOM 1194 CG LYS A 74 -14.830 -0.213 -5.028 1.00 0.00 C ATOM 1195 CD LYS A 74 -15.470 -1.212 -4.055 1.00 0.00 C ATOM 1196 CE LYS A 74 -15.527 -2.663 -4.554 1.00 0.00 C ATOM 1197 NZ LYS A 74 -14.874 -3.584 -3.601 1.00 0.00 N ATOM 0 H LYS A 74 -10.910 1.144 -4.999 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.779 0.775 -3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.227 0.317 -6.351 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.254 -1.376 -5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.897 0.769 -4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.465 -0.187 -5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.915 -1.188 -3.117 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.484 -0.880 -3.833 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -16.566 -2.960 -4.697 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.039 -2.735 -5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.060 -4.567 -3.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.848 -3.412 -3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.254 -3.422 -2.646 1.00 0.00 H new ATOM 1211 N ILE A 75 -11.802 -0.531 -2.166 1.00 0.00 N ATOM 1212 CA ILE A 75 -11.613 -1.093 -0.843 1.00 0.00 C ATOM 1213 C ILE A 75 -12.040 -0.024 0.193 1.00 0.00 C ATOM 1214 O ILE A 75 -12.270 -0.344 1.354 1.00 0.00 O ATOM 1215 CB ILE A 75 -10.127 -1.504 -0.680 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -9.573 -2.406 -1.809 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -9.915 -2.253 0.640 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -8.046 -2.514 -1.757 1.00 0.00 C ATOM 0 H ILE A 75 -11.530 0.452 -2.171 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.220 -1.986 -0.691 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.585 -0.559 -0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.010 -3.401 -1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.876 -2.004 -2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.866 -2.533 0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -10.196 -1.609 1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.532 -3.151 0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.699 -3.156 -2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.607 -1.522 -1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.744 -2.941 -0.801 1.00 0.00 H new ATOM 1230 N CYS A 76 -12.106 1.268 -0.172 1.00 0.00 N ATOM 1231 CA CYS A 76 -12.627 2.325 0.695 1.00 0.00 C ATOM 1232 C CYS A 76 -13.948 2.843 0.137 1.00 0.00 C ATOM 1233 O CYS A 76 -14.328 2.488 -0.977 1.00 0.00 O ATOM 1234 CB CYS A 76 -11.594 3.417 0.982 1.00 0.00 C ATOM 1235 SG CYS A 76 -12.074 4.685 2.198 1.00 0.00 S ATOM 0 H CYS A 76 -11.796 1.604 -1.084 1.00 0.00 H new ATOM 0 HA CYS A 76 -12.837 1.903 1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -10.679 2.939 1.330 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -11.355 3.917 0.043 1.00 0.00 H new ATOM 1240 N LYS A 77 -14.584 3.758 0.892 1.00 0.00 N ATOM 1241 CA LYS A 77 -15.925 4.317 0.678 1.00 0.00 C ATOM 1242 C LYS A 77 -16.892 3.140 0.554 1.00 0.00 C ATOM 1243 O LYS A 77 -17.969 3.269 -0.013 1.00 0.00 O ATOM 1244 CB LYS A 77 -15.964 5.326 -0.489 1.00 0.00 C ATOM 1245 CG LYS A 77 -17.264 6.116 -0.738 1.00 0.00 C ATOM 1246 CD LYS A 77 -17.855 6.876 0.460 1.00 0.00 C ATOM 1247 CE LYS A 77 -17.101 8.164 0.830 1.00 0.00 C ATOM 1248 NZ LYS A 77 -15.813 7.930 1.526 1.00 0.00 N ATOM 0 H LYS A 77 -14.142 4.151 1.723 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.238 4.926 1.526 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.163 6.048 -0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.726 4.783 -1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -17.077 6.834 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -18.019 5.420 -1.105 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -18.892 7.127 0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -17.865 6.214 1.326 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -16.913 8.736 -0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -17.740 8.777 1.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.673 8.662 2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.827 6.993 1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.034 7.971 0.838 1.00 0.00 H new ATOM 1262 N GLU A 78 -16.479 2.010 1.121 1.00 0.00 N ATOM 1263 CA GLU A 78 -17.277 0.842 1.238 1.00 0.00 C ATOM 1264 C GLU A 78 -17.974 0.986 2.591 1.00 0.00 C ATOM 1265 O GLU A 78 -17.376 1.668 3.467 1.00 0.00 O ATOM 1266 CB GLU A 78 -16.417 -0.428 1.288 1.00 0.00 C ATOM 1267 CG GLU A 78 -15.645 -0.759 0.006 1.00 0.00 C ATOM 1268 CD GLU A 78 -15.106 -2.202 0.023 1.00 0.00 C ATOM 1269 OE1 GLU A 78 -14.924 -2.778 1.119 1.00 0.00 O ATOM 1270 OE2 GLU A 78 -14.863 -2.739 -1.085 1.00 0.00 O ATOM 1271 OXT GLU A 78 -18.866 0.182 2.919 1.00 0.00 O ATOM 0 H GLU A 78 -15.546 1.902 1.518 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.955 0.751 0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.702 -0.329 2.105 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.062 -1.272 1.530 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.297 -0.624 -0.857 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.815 -0.062 -0.110 1.00 0.00 H new TER 1278 GLU A 78