USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 382 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 12 SER OG : rot -85:sc= 0.735 USER MOD Set 1.2: B 33 ASN : amide:sc= 0.657 K(o=1.4,f=-0.027) USER MOD Set 2.1: A 8 THR OG1 : rot -103:sc= 0.518 USER MOD Set 2.2: A 9 SER OG : rot 112:sc= 0.0417 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.03) USER MOD Single : A 18 ASN : amide:sc=-0.00704 K(o=-0.007,f=-0.53) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : B 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 35 HIS : no HE2:sc= 0.509 K(o=0.51,f=-2.7!) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= -0.0336 X(o=-0.034,f=0) USER MOD Single : B 46 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= -0.0101 X(o=-0.01,f=-0.49) USER MOD Single : B 56 TYR OH : rot 180:sc= 0 USER MOD Single : B 57 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.039) USER MOD Single : B 60 THR OG1 : rot 180:sc= 0.213 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.839 1.326 -0.051 1.00 25.00 N ATOM 2 CA GLY A 1 3.262 1.638 -0.349 1.00 25.00 C ATOM 3 C GLY A 1 4.010 0.328 -0.670 1.00 25.00 C ATOM 4 O GLY A 1 3.572 -0.502 -1.467 1.00 25.00 O ATOM 0 H1 GLY A 1 1.329 2.206 0.166 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.404 0.868 -0.877 1.00 25.00 H new ATOM 0 H3 GLY A 1 1.788 0.685 0.767 1.00 25.00 H new ATOM 0 HA2 GLY A 1 3.327 2.325 -1.193 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.724 2.136 0.504 1.00 25.00 H new ATOM 9 N ILE A 2 5.221 0.134 -0.099 1.00 25.00 N ATOM 10 CA ILE A 2 6.030 -1.097 -0.362 1.00 25.00 C ATOM 11 C ILE A 2 5.302 -2.421 -0.188 1.00 25.00 C ATOM 12 O ILE A 2 5.441 -3.345 -0.983 1.00 25.00 O ATOM 13 CB ILE A 2 7.348 -1.125 0.499 1.00 25.00 C ATOM 14 CG1 ILE A 2 8.126 -2.445 0.317 1.00 25.00 C ATOM 15 CG2 ILE A 2 7.026 -0.888 2.032 1.00 25.00 C ATOM 16 CD1 ILE A 2 9.526 -2.414 0.902 1.00 25.00 C ATOM 0 H ILE A 2 5.661 0.798 0.538 1.00 25.00 H new ATOM 0 HA ILE A 2 6.261 -1.014 -1.424 1.00 25.00 H new ATOM 0 HB ILE A 2 7.981 -0.313 0.141 1.00 25.00 H new ATOM 0 HG12 ILE A 2 7.565 -3.254 0.784 1.00 25.00 H new ATOM 0 HG13 ILE A 2 8.191 -2.674 -0.747 1.00 25.00 H new ATOM 0 HG21 ILE A 2 7.952 -0.912 2.606 1.00 25.00 H new ATOM 0 HG22 ILE A 2 6.546 0.083 2.157 1.00 25.00 H new ATOM 0 HG23 ILE A 2 6.358 -1.672 2.389 1.00 25.00 H new ATOM 0 HD11 ILE A 2 10.011 -3.376 0.736 1.00 25.00 H new ATOM 0 HD12 ILE A 2 10.105 -1.627 0.418 1.00 25.00 H new ATOM 0 HD13 ILE A 2 9.469 -2.217 1.972 1.00 25.00 H new ATOM 28 N VAL A 3 4.425 -2.489 0.826 1.00 25.00 N ATOM 29 CA VAL A 3 3.689 -3.733 1.057 1.00 25.00 C ATOM 30 C VAL A 3 2.764 -4.028 -0.129 1.00 25.00 C ATOM 31 O VAL A 3 2.774 -5.125 -0.640 1.00 25.00 O ATOM 32 CB VAL A 3 2.873 -3.711 2.418 1.00 25.00 C ATOM 33 CG1 VAL A 3 2.138 -5.002 2.660 1.00 25.00 C ATOM 34 CG2 VAL A 3 3.837 -3.447 3.603 1.00 25.00 C ATOM 0 H VAL A 3 4.216 -1.729 1.473 1.00 25.00 H new ATOM 0 HA VAL A 3 4.423 -4.534 1.145 1.00 25.00 H new ATOM 0 HB VAL A 3 2.135 -2.912 2.341 1.00 25.00 H new ATOM 0 HG11 VAL A 3 1.594 -4.940 3.603 1.00 25.00 H new ATOM 0 HG12 VAL A 3 1.435 -5.178 1.846 1.00 25.00 H new ATOM 0 HG13 VAL A 3 2.852 -5.824 2.707 1.00 25.00 H new ATOM 0 HG21 VAL A 3 3.272 -3.433 4.535 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.587 -4.237 3.645 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.331 -2.485 3.463 1.00 25.00 H new ATOM 44 N GLU A 4 2.024 -3.015 -0.587 1.00 25.00 N ATOM 45 CA GLU A 4 1.103 -3.122 -1.723 1.00 25.00 C ATOM 46 C GLU A 4 1.788 -3.510 -3.026 1.00 25.00 C ATOM 47 O GLU A 4 1.275 -4.358 -3.780 1.00 25.00 O ATOM 48 CB GLU A 4 0.287 -1.839 -1.926 1.00 25.00 C ATOM 49 CG GLU A 4 -0.657 -1.627 -0.767 1.00 25.00 C ATOM 50 CD GLU A 4 -1.541 -0.407 -0.987 1.00 25.00 C ATOM 51 OE1 GLU A 4 -1.395 0.428 -1.863 1.00 25.00 O ATOM 52 OE2 GLU A 4 -2.484 -0.305 -0.086 1.00 25.00 O ATOM 0 H GLU A 4 2.048 -2.083 -0.173 1.00 25.00 H new ATOM 0 HA GLU A 4 0.426 -3.934 -1.458 1.00 25.00 H new ATOM 0 HB2 GLU A 4 0.958 -0.985 -2.018 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -0.278 -1.903 -2.856 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -1.281 -2.511 -0.637 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -0.085 -1.503 0.152 1.00 25.00 H new ATOM 60 N GLN A 5 2.924 -2.890 -3.259 1.00 25.00 N ATOM 61 CA GLN A 5 3.656 -3.075 -4.479 1.00 25.00 C ATOM 62 C GLN A 5 4.469 -4.395 -4.459 1.00 25.00 C ATOM 63 O GLN A 5 4.620 -5.026 -5.497 1.00 25.00 O ATOM 64 CB GLN A 5 4.718 -1.945 -4.666 1.00 25.00 C ATOM 65 CG GLN A 5 4.132 -0.578 -4.923 1.00 25.00 C ATOM 66 CD GLN A 5 5.232 0.491 -5.090 1.00 25.00 C ATOM 67 OE1 GLN A 5 5.307 1.439 -4.313 1.00 25.00 O ATOM 68 NE2 GLN A 5 6.092 0.339 -6.090 1.00 25.00 N ATOM 0 H GLN A 5 3.362 -2.243 -2.603 1.00 25.00 H new ATOM 0 HA GLN A 5 2.912 -3.076 -5.276 1.00 25.00 H new ATOM 0 HB2 GLN A 5 5.342 -1.898 -3.774 1.00 25.00 H new ATOM 0 HB3 GLN A 5 5.371 -2.210 -5.498 1.00 25.00 H new ATOM 0 HG2 GLN A 5 3.515 -0.609 -5.821 1.00 25.00 H new ATOM 0 HG3 GLN A 5 3.478 -0.301 -4.096 1.00 25.00 H new ATOM 0 HE21 GLN A 5 6.006 -0.458 -6.720 1.00 25.00 H new ATOM 0 HE22 GLN A 5 6.839 1.020 -6.228 1.00 25.00 H new ATOM 77 N CYS A 6 4.987 -4.808 -3.327 1.00 25.00 N ATOM 78 CA CYS A 6 5.828 -5.985 -3.283 1.00 25.00 C ATOM 79 C CYS A 6 5.032 -7.285 -3.062 1.00 25.00 C ATOM 80 O CYS A 6 5.264 -8.267 -3.726 1.00 25.00 O ATOM 81 CB CYS A 6 6.935 -5.822 -2.260 1.00 25.00 C ATOM 82 SG CYS A 6 8.470 -6.616 -2.723 1.00 25.00 S ATOM 0 H CYS A 6 4.843 -4.351 -2.427 1.00 25.00 H new ATOM 0 HA CYS A 6 6.287 -6.081 -4.267 1.00 25.00 H new ATOM 0 HB2 CYS A 6 7.119 -4.759 -2.104 1.00 25.00 H new ATOM 0 HB3 CYS A 6 6.599 -6.230 -1.307 1.00 25.00 H new ATOM 87 N CYS A 7 4.114 -7.299 -2.116 1.00 25.00 N ATOM 88 CA CYS A 7 3.360 -8.529 -1.823 1.00 25.00 C ATOM 89 C CYS A 7 2.468 -9.039 -2.989 1.00 25.00 C ATOM 90 O CYS A 7 2.016 -10.184 -3.005 1.00 25.00 O ATOM 91 CB CYS A 7 2.504 -8.348 -0.580 1.00 25.00 C ATOM 92 SG CYS A 7 3.504 -7.893 0.866 1.00 25.00 S ATOM 0 H CYS A 7 3.866 -6.495 -1.539 1.00 25.00 H new ATOM 0 HA CYS A 7 4.121 -9.292 -1.663 1.00 25.00 H new ATOM 0 HB2 CYS A 7 1.756 -7.576 -0.763 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.964 -9.272 -0.373 1.00 25.00 H new ATOM 97 N THR A 8 2.297 -8.211 -4.023 1.00 25.00 N ATOM 98 CA THR A 8 1.637 -8.628 -5.229 1.00 25.00 C ATOM 99 C THR A 8 2.633 -9.205 -6.248 1.00 25.00 C ATOM 100 O THR A 8 2.274 -9.553 -7.352 1.00 25.00 O ATOM 101 CB THR A 8 0.931 -7.427 -5.860 1.00 25.00 C ATOM 102 OG1 THR A 8 1.854 -6.327 -5.961 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.257 -7.005 -4.975 1.00 25.00 C ATOM 0 H THR A 8 2.616 -7.242 -4.033 1.00 25.00 H new ATOM 0 HA THR A 8 0.920 -9.406 -4.967 1.00 25.00 H new ATOM 0 HB THR A 8 0.572 -7.701 -6.852 1.00 25.00 H new ATOM 0 HG1 THR A 8 1.669 -5.678 -5.250 1.00 25.00 H new ATOM 0 HG21 THR A 8 -0.760 -6.149 -5.425 1.00 25.00 H new ATOM 0 HG22 THR A 8 -0.959 -7.834 -4.889 1.00 25.00 H new ATOM 0 HG23 THR A 8 0.106 -6.733 -3.984 1.00 25.00 H new ATOM 111 N SER A 9 3.860 -9.350 -5.832 1.00 25.00 N ATOM 112 CA SER A 9 4.986 -9.734 -6.664 1.00 25.00 C ATOM 113 C SER A 9 5.837 -10.801 -5.930 1.00 25.00 C ATOM 114 O SER A 9 5.480 -11.246 -4.845 1.00 25.00 O ATOM 115 CB SER A 9 5.819 -8.449 -6.954 1.00 25.00 C ATOM 116 OG SER A 9 5.026 -7.475 -7.616 1.00 25.00 O ATOM 0 H SER A 9 4.124 -9.198 -4.858 1.00 25.00 H new ATOM 0 HA SER A 9 4.650 -10.171 -7.604 1.00 25.00 H new ATOM 0 HB2 SER A 9 6.202 -8.039 -6.019 1.00 25.00 H new ATOM 0 HB3 SER A 9 6.683 -8.701 -7.569 1.00 25.00 H new ATOM 0 HG SER A 9 4.873 -6.715 -7.017 1.00 25.00 H new ATOM 122 N ILE A 10 6.911 -11.252 -6.525 1.00 25.00 N ATOM 123 CA ILE A 10 7.847 -12.216 -5.885 1.00 25.00 C ATOM 124 C ILE A 10 8.738 -11.527 -4.795 1.00 25.00 C ATOM 125 O ILE A 10 9.139 -12.128 -3.815 1.00 25.00 O ATOM 126 CB ILE A 10 8.803 -12.909 -6.966 1.00 25.00 C ATOM 127 CG1 ILE A 10 8.002 -13.729 -8.019 1.00 25.00 C ATOM 128 CG2 ILE A 10 9.769 -13.871 -6.299 1.00 25.00 C ATOM 129 CD1 ILE A 10 7.337 -15.049 -7.514 1.00 25.00 C ATOM 0 H ILE A 10 7.185 -10.977 -7.468 1.00 25.00 H new ATOM 0 HA ILE A 10 7.225 -12.975 -5.410 1.00 25.00 H new ATOM 0 HB ILE A 10 9.335 -12.094 -7.457 1.00 25.00 H new ATOM 0 HG12 ILE A 10 7.221 -13.088 -8.428 1.00 25.00 H new ATOM 0 HG13 ILE A 10 8.674 -13.978 -8.841 1.00 25.00 H new ATOM 0 HG21 ILE A 10 10.407 -14.328 -7.055 1.00 25.00 H new ATOM 0 HG22 ILE A 10 10.386 -13.329 -5.583 1.00 25.00 H new ATOM 0 HG23 ILE A 10 9.208 -14.648 -5.779 1.00 25.00 H new ATOM 0 HD11 ILE A 10 6.809 -15.529 -8.338 1.00 25.00 H new ATOM 0 HD12 ILE A 10 8.106 -15.722 -7.135 1.00 25.00 H new ATOM 0 HD13 ILE A 10 6.631 -14.819 -6.716 1.00 25.00 H new ATOM 141 N CYS A 11 9.070 -10.269 -5.037 1.00 25.00 N ATOM 142 CA CYS A 11 10.023 -9.477 -4.190 1.00 25.00 C ATOM 143 C CYS A 11 11.436 -10.057 -4.288 1.00 25.00 C ATOM 144 O CYS A 11 12.152 -10.124 -3.262 1.00 25.00 O ATOM 145 CB CYS A 11 9.631 -9.347 -2.715 1.00 25.00 C ATOM 146 SG CYS A 11 8.056 -8.567 -2.472 1.00 25.00 S ATOM 0 H CYS A 11 8.697 -9.742 -5.826 1.00 25.00 H new ATOM 0 HA CYS A 11 9.983 -8.468 -4.601 1.00 25.00 H new ATOM 0 HB2 CYS A 11 9.611 -10.339 -2.263 1.00 25.00 H new ATOM 0 HB3 CYS A 11 10.397 -8.774 -2.192 1.00 25.00 H new ATOM 151 N SER A 12 11.876 -10.428 -5.488 1.00 25.00 N ATOM 152 CA SER A 12 13.279 -10.830 -5.690 1.00 25.00 C ATOM 153 C SER A 12 14.207 -9.615 -5.358 1.00 25.00 C ATOM 154 O SER A 12 13.785 -8.493 -5.448 1.00 25.00 O ATOM 155 CB SER A 12 13.404 -11.228 -7.159 1.00 25.00 C ATOM 156 OG SER A 12 12.496 -12.275 -7.419 1.00 25.00 O ATOM 0 H SER A 12 11.297 -10.461 -6.327 1.00 25.00 H new ATOM 0 HA SER A 12 13.571 -11.660 -5.046 1.00 25.00 H new ATOM 0 HB2 SER A 12 13.191 -10.374 -7.802 1.00 25.00 H new ATOM 0 HB3 SER A 12 14.423 -11.547 -7.379 1.00 25.00 H new ATOM 0 HG SER A 12 12.907 -13.132 -7.180 1.00 25.00 H new ATOM 162 N LEU A 13 15.472 -9.864 -5.085 1.00 25.00 N ATOM 163 CA LEU A 13 16.399 -8.812 -4.671 1.00 25.00 C ATOM 164 C LEU A 13 16.589 -7.739 -5.688 1.00 25.00 C ATOM 165 O LEU A 13 16.879 -6.602 -5.384 1.00 25.00 O ATOM 166 CB LEU A 13 17.766 -9.412 -4.231 1.00 25.00 C ATOM 167 CG LEU A 13 18.743 -9.770 -5.358 1.00 25.00 C ATOM 168 CD1 LEU A 13 19.747 -8.688 -5.573 1.00 25.00 C ATOM 169 CD2 LEU A 13 19.450 -11.067 -5.088 1.00 25.00 C ATOM 0 H LEU A 13 15.891 -10.792 -5.141 1.00 25.00 H new ATOM 0 HA LEU A 13 15.932 -8.328 -3.813 1.00 25.00 H new ATOM 0 HB2 LEU A 13 18.255 -8.699 -3.567 1.00 25.00 H new ATOM 0 HB3 LEU A 13 17.573 -10.311 -3.646 1.00 25.00 H new ATOM 0 HG LEU A 13 18.147 -9.882 -6.264 1.00 25.00 H new ATOM 0 HD11 LEU A 13 20.424 -8.974 -6.378 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.234 -7.764 -5.841 1.00 25.00 H new ATOM 0 HD13 LEU A 13 20.318 -8.534 -4.657 1.00 25.00 H new ATOM 0 HD21 LEU A 13 20.133 -11.287 -5.908 1.00 25.00 H new ATOM 0 HD22 LEU A 13 20.013 -10.988 -4.158 1.00 25.00 H new ATOM 0 HD23 LEU A 13 18.717 -11.869 -5.001 1.00 25.00 H new ATOM 181 N TYR A 14 16.391 -8.130 -6.940 1.00 25.00 N ATOM 182 CA TYR A 14 16.418 -7.141 -8.023 1.00 25.00 C ATOM 183 C TYR A 14 15.459 -5.988 -7.674 1.00 25.00 C ATOM 184 O TYR A 14 15.787 -4.825 -7.877 1.00 25.00 O ATOM 185 CB TYR A 14 15.967 -7.791 -9.294 1.00 25.00 C ATOM 186 CG TYR A 14 15.795 -6.830 -10.429 1.00 25.00 C ATOM 187 CD1 TYR A 14 16.906 -6.281 -11.052 1.00 25.00 C ATOM 188 CD2 TYR A 14 14.496 -6.462 -10.879 1.00 25.00 C ATOM 189 CE1 TYR A 14 16.766 -5.374 -12.146 1.00 25.00 C ATOM 190 CE2 TYR A 14 14.352 -5.529 -11.973 1.00 25.00 C ATOM 191 CZ TYR A 14 15.483 -5.015 -12.613 1.00 25.00 C ATOM 192 OH TYR A 14 15.416 -4.197 -13.667 1.00 25.00 O ATOM 0 H TYR A 14 16.215 -9.092 -7.231 1.00 25.00 H new ATOM 0 HA TYR A 14 17.430 -6.755 -8.148 1.00 25.00 H new ATOM 0 HB2 TYR A 14 16.692 -8.553 -9.580 1.00 25.00 H new ATOM 0 HB3 TYR A 14 15.021 -8.303 -9.115 1.00 25.00 H new ATOM 0 HD1 TYR A 14 17.894 -6.544 -10.704 1.00 25.00 H new ATOM 0 HD2 TYR A 14 13.620 -6.879 -10.404 1.00 25.00 H new ATOM 0 HE1 TYR A 14 17.645 -4.961 -12.618 1.00 25.00 H new ATOM 0 HE2 TYR A 14 13.367 -5.228 -12.297 1.00 25.00 H new ATOM 0 HH TYR A 14 14.477 -4.028 -13.890 1.00 25.00 H new ATOM 202 N GLN A 15 14.249 -6.332 -7.234 1.00 25.00 N ATOM 203 CA GLN A 15 13.167 -5.364 -6.919 1.00 25.00 C ATOM 204 C GLN A 15 13.379 -4.765 -5.556 1.00 25.00 C ATOM 205 O GLN A 15 13.145 -3.584 -5.343 1.00 25.00 O ATOM 206 CB GLN A 15 11.827 -6.100 -6.898 1.00 25.00 C ATOM 207 CG GLN A 15 10.579 -5.116 -6.752 1.00 25.00 C ATOM 208 CD GLN A 15 10.411 -4.275 -8.000 1.00 25.00 C ATOM 209 OE1 GLN A 15 10.304 -4.783 -9.077 1.00 25.00 O ATOM 210 NE2 GLN A 15 10.385 -2.972 -7.835 1.00 25.00 N ATOM 0 H GLN A 15 13.976 -7.303 -7.080 1.00 25.00 H new ATOM 0 HA GLN A 15 13.175 -4.579 -7.675 1.00 25.00 H new ATOM 0 HB2 GLN A 15 11.722 -6.678 -7.816 1.00 25.00 H new ATOM 0 HB3 GLN A 15 11.822 -6.810 -6.071 1.00 25.00 H new ATOM 0 HG2 GLN A 15 9.673 -5.694 -6.573 1.00 25.00 H new ATOM 0 HG3 GLN A 15 10.720 -4.468 -5.887 1.00 25.00 H new ATOM 0 HE21 GLN A 15 10.479 -2.574 -6.900 1.00 25.00 H new ATOM 0 HE22 GLN A 15 10.270 -2.358 -8.641 1.00 25.00 H new ATOM 219 N LEU A 16 13.788 -5.602 -4.610 1.00 25.00 N ATOM 220 CA LEU A 16 13.928 -5.213 -3.221 1.00 25.00 C ATOM 221 C LEU A 16 14.987 -4.154 -2.986 1.00 25.00 C ATOM 222 O LEU A 16 14.819 -3.291 -2.136 1.00 25.00 O ATOM 223 CB LEU A 16 14.257 -6.498 -2.403 1.00 25.00 C ATOM 224 CG LEU A 16 14.031 -6.328 -0.907 1.00 25.00 C ATOM 225 CD1 LEU A 16 12.541 -6.111 -0.525 1.00 25.00 C ATOM 226 CD2 LEU A 16 14.531 -7.580 -0.243 1.00 25.00 C ATOM 0 H LEU A 16 14.032 -6.576 -4.791 1.00 25.00 H new ATOM 0 HA LEU A 16 12.991 -4.758 -2.900 1.00 25.00 H new ATOM 0 HB2 LEU A 16 13.641 -7.320 -2.766 1.00 25.00 H new ATOM 0 HB3 LEU A 16 15.296 -6.777 -2.578 1.00 25.00 H new ATOM 0 HG LEU A 16 14.562 -5.434 -0.580 1.00 25.00 H new ATOM 0 HD11 LEU A 16 12.455 -5.998 0.556 1.00 25.00 H new ATOM 0 HD12 LEU A 16 12.167 -5.212 -1.015 1.00 25.00 H new ATOM 0 HD13 LEU A 16 11.954 -6.971 -0.847 1.00 25.00 H new ATOM 0 HD21 LEU A 16 14.388 -7.502 0.835 1.00 25.00 H new ATOM 0 HD22 LEU A 16 13.976 -8.439 -0.621 1.00 25.00 H new ATOM 0 HD23 LEU A 16 15.591 -7.708 -0.460 1.00 25.00 H new ATOM 238 N GLU A 17 16.035 -4.187 -3.791 1.00 25.00 N ATOM 239 CA GLU A 17 17.081 -3.198 -3.746 1.00 25.00 C ATOM 240 C GLU A 17 16.543 -1.822 -4.174 1.00 25.00 C ATOM 241 O GLU A 17 17.076 -0.788 -3.753 1.00 25.00 O ATOM 242 CB GLU A 17 18.196 -3.612 -4.718 1.00 25.00 C ATOM 243 CG GLU A 17 19.163 -4.546 -4.141 1.00 25.00 C ATOM 244 CD GLU A 17 20.200 -4.962 -5.163 1.00 25.00 C ATOM 245 OE1 GLU A 17 20.086 -4.757 -6.327 1.00 25.00 O ATOM 246 OE2 GLU A 17 21.275 -5.514 -4.686 1.00 25.00 O ATOM 0 H GLU A 17 16.179 -4.909 -4.497 1.00 25.00 H new ATOM 0 HA GLU A 17 17.460 -3.131 -2.726 1.00 25.00 H new ATOM 0 HB2 GLU A 17 17.746 -4.068 -5.600 1.00 25.00 H new ATOM 0 HB3 GLU A 17 18.723 -2.719 -5.054 1.00 25.00 H new ATOM 0 HG2 GLU A 17 19.656 -4.082 -3.287 1.00 25.00 H new ATOM 0 HG3 GLU A 17 18.642 -5.428 -3.768 1.00 25.00 H new ATOM 254 N ASN A 18 15.472 -1.769 -4.980 1.00 25.00 N ATOM 255 CA ASN A 18 14.881 -0.474 -5.372 1.00 25.00 C ATOM 256 C ASN A 18 14.323 0.282 -4.172 1.00 25.00 C ATOM 257 O ASN A 18 14.156 1.475 -4.229 1.00 25.00 O ATOM 258 CB ASN A 18 13.785 -0.617 -6.443 1.00 25.00 C ATOM 259 CG ASN A 18 13.476 0.682 -7.143 1.00 25.00 C ATOM 260 OD1 ASN A 18 14.383 1.416 -7.508 1.00 25.00 O ATOM 261 ND2 ASN A 18 12.227 0.960 -7.370 1.00 25.00 N ATOM 0 H ASN A 18 15.003 -2.588 -5.368 1.00 25.00 H new ATOM 0 HA ASN A 18 15.701 0.099 -5.804 1.00 25.00 H new ATOM 0 HB2 ASN A 18 14.099 -1.356 -7.181 1.00 25.00 H new ATOM 0 HB3 ASN A 18 12.876 -0.998 -5.977 1.00 25.00 H new ATOM 0 HD21 ASN A 18 11.977 1.815 -7.868 1.00 25.00 H new ATOM 0 HD22 ASN A 18 11.497 0.324 -7.050 1.00 25.00 H new ATOM 268 N TYR A 19 14.004 -0.426 -3.084 1.00 25.00 N ATOM 269 CA TYR A 19 13.507 0.227 -1.873 1.00 25.00 C ATOM 270 C TYR A 19 14.691 0.726 -0.995 1.00 25.00 C ATOM 271 O TYR A 19 14.504 1.329 0.043 1.00 25.00 O ATOM 272 CB TYR A 19 12.643 -0.742 -1.071 1.00 25.00 C ATOM 273 CG TYR A 19 11.420 -1.198 -1.839 1.00 25.00 C ATOM 274 CD1 TYR A 19 10.294 -0.334 -2.007 1.00 25.00 C ATOM 275 CD2 TYR A 19 11.365 -2.498 -2.422 1.00 25.00 C ATOM 276 CE1 TYR A 19 9.127 -0.759 -2.730 1.00 25.00 C ATOM 277 CE2 TYR A 19 10.183 -2.944 -3.158 1.00 25.00 C ATOM 278 CZ TYR A 19 9.093 -2.067 -3.282 1.00 25.00 C ATOM 279 OH TYR A 19 7.996 -2.490 -3.970 1.00 25.00 O ATOM 0 H TYR A 19 14.081 -1.441 -3.018 1.00 25.00 H new ATOM 0 HA TYR A 19 12.904 1.086 -2.169 1.00 25.00 H new ATOM 0 HB2 TYR A 19 13.239 -1.611 -0.793 1.00 25.00 H new ATOM 0 HB3 TYR A 19 12.328 -0.262 -0.144 1.00 25.00 H new ATOM 0 HD1 TYR A 19 10.321 0.658 -1.582 1.00 25.00 H new ATOM 0 HD2 TYR A 19 12.209 -3.163 -2.318 1.00 25.00 H new ATOM 0 HE1 TYR A 19 8.286 -0.092 -2.852 1.00 25.00 H new ATOM 0 HE2 TYR A 19 10.149 -3.930 -3.598 1.00 25.00 H new ATOM 0 HH TYR A 19 8.139 -3.408 -4.281 1.00 25.00 H new ATOM 289 N CYS A 20 15.933 0.508 -1.473 1.00 25.00 N ATOM 290 CA CYS A 20 17.096 0.965 -0.758 1.00 25.00 C ATOM 291 C CYS A 20 17.558 2.254 -1.372 1.00 25.00 C ATOM 292 O CYS A 20 18.426 2.913 -0.864 1.00 25.00 O ATOM 293 CB CYS A 20 18.225 -0.054 -0.828 1.00 25.00 C ATOM 294 SG CYS A 20 19.639 0.259 0.249 1.00 25.00 S ATOM 0 H CYS A 20 16.134 0.020 -2.346 1.00 25.00 H new ATOM 0 HA CYS A 20 16.830 1.106 0.290 1.00 25.00 H new ATOM 0 HB2 CYS A 20 17.818 -1.035 -0.585 1.00 25.00 H new ATOM 0 HB3 CYS A 20 18.581 -0.103 -1.857 1.00 25.00 H new ATOM 299 N ASN A 21 16.913 2.618 -2.482 1.00 25.00 N ATOM 300 CA ASN A 21 17.262 3.859 -3.207 1.00 25.00 C ATOM 301 C ASN A 21 17.053 5.139 -2.364 1.00 25.00 C ATOM 302 O ASN A 21 17.829 6.082 -2.351 1.00 25.00 O ATOM 303 CB ASN A 21 16.512 3.946 -4.559 1.00 25.00 C ATOM 304 CG ASN A 21 17.090 5.050 -5.411 1.00 25.00 C ATOM 305 OD1 ASN A 21 18.275 5.212 -5.554 1.00 25.00 O ATOM 306 ND2 ASN A 21 16.215 5.828 -6.013 1.00 25.00 N ATOM 307 OXT ASN A 21 15.870 5.224 -1.716 1.00 25.00 O ATOM 0 H ASN A 21 16.153 2.083 -2.902 1.00 25.00 H new ATOM 0 HA ASN A 21 18.332 3.803 -3.410 1.00 25.00 H new ATOM 0 HB2 ASN A 21 16.587 2.995 -5.086 1.00 25.00 H new ATOM 0 HB3 ASN A 21 15.452 4.131 -4.383 1.00 25.00 H new ATOM 0 HD21 ASN A 21 16.536 6.586 -6.615 1.00 25.00 H new ATOM 0 HD22 ASN A 21 15.216 5.672 -5.877 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 31 20.333 -15.018 -0.455 1.00 25.00 N ATOM 317 CA PHE B 31 18.903 -14.609 -0.698 1.00 25.00 C ATOM 318 C PHE B 31 18.139 -15.757 -1.387 1.00 25.00 C ATOM 319 O PHE B 31 18.747 -16.527 -2.111 1.00 25.00 O ATOM 320 CB PHE B 31 18.880 -13.352 -1.576 1.00 25.00 C ATOM 321 CG PHE B 31 17.567 -12.629 -1.679 1.00 25.00 C ATOM 322 CD1 PHE B 31 16.593 -12.921 -2.642 1.00 25.00 C ATOM 323 CD2 PHE B 31 17.303 -11.599 -0.746 1.00 25.00 C ATOM 324 CE1 PHE B 31 15.344 -12.269 -2.695 1.00 25.00 C ATOM 325 CE2 PHE B 31 16.068 -10.942 -0.798 1.00 25.00 C ATOM 326 CZ PHE B 31 15.081 -11.282 -1.736 1.00 25.00 C ATOM 0 HA PHE B 31 18.417 -14.391 0.253 1.00 25.00 H new ATOM 0 HB2 PHE B 31 19.624 -12.654 -1.192 1.00 25.00 H new ATOM 0 HB3 PHE B 31 19.195 -13.632 -2.581 1.00 25.00 H new ATOM 0 HD1 PHE B 31 16.809 -13.681 -3.378 1.00 25.00 H new ATOM 0 HD2 PHE B 31 18.041 -11.324 -0.007 1.00 25.00 H new ATOM 0 HE1 PHE B 31 14.614 -12.522 -3.450 1.00 25.00 H new ATOM 0 HE2 PHE B 31 15.868 -10.148 -0.094 1.00 25.00 H new ATOM 0 HZ PHE B 31 14.122 -10.785 -1.719 1.00 25.00 H new ATOM 337 N VAL B 32 16.852 -15.903 -1.120 1.00 25.00 N ATOM 338 CA VAL B 32 16.034 -16.964 -1.707 1.00 25.00 C ATOM 339 C VAL B 32 14.846 -16.293 -2.399 1.00 25.00 C ATOM 340 O VAL B 32 14.354 -15.240 -1.988 1.00 25.00 O ATOM 341 CB VAL B 32 15.552 -17.964 -0.624 1.00 25.00 C ATOM 342 CG1 VAL B 32 16.735 -18.793 -0.084 1.00 25.00 C ATOM 343 CG2 VAL B 32 14.814 -17.272 0.554 1.00 25.00 C ATOM 0 H VAL B 32 16.338 -15.289 -0.488 1.00 25.00 H new ATOM 0 HA VAL B 32 16.619 -17.539 -2.424 1.00 25.00 H new ATOM 0 HB VAL B 32 14.834 -18.623 -1.113 1.00 25.00 H new ATOM 0 HG11 VAL B 32 16.376 -19.488 0.675 1.00 25.00 H new ATOM 0 HG12 VAL B 32 17.191 -19.352 -0.901 1.00 25.00 H new ATOM 0 HG13 VAL B 32 17.476 -18.126 0.357 1.00 25.00 H new ATOM 0 HG21 VAL B 32 14.501 -18.023 1.279 1.00 25.00 H new ATOM 0 HG22 VAL B 32 15.484 -16.560 1.036 1.00 25.00 H new ATOM 0 HG23 VAL B 32 13.938 -16.746 0.176 1.00 25.00 H new ATOM 353 N ASN B 33 14.369 -16.927 -3.454 1.00 25.00 N ATOM 354 CA ASN B 33 13.317 -16.364 -4.289 1.00 25.00 C ATOM 355 C ASN B 33 12.017 -17.063 -3.901 1.00 25.00 C ATOM 356 O ASN B 33 11.815 -18.212 -4.195 1.00 25.00 O ATOM 357 CB ASN B 33 13.620 -16.587 -5.778 1.00 25.00 C ATOM 358 CG ASN B 33 14.576 -15.546 -6.336 1.00 25.00 C ATOM 359 OD1 ASN B 33 14.212 -14.404 -6.548 1.00 25.00 O ATOM 360 ND2 ASN B 33 15.802 -15.967 -6.624 1.00 25.00 N ATOM 0 H ASN B 33 14.697 -17.844 -3.758 1.00 25.00 H new ATOM 0 HA ASN B 33 13.243 -15.288 -4.135 1.00 25.00 H new ATOM 0 HB2 ASN B 33 14.048 -17.580 -5.914 1.00 25.00 H new ATOM 0 HB3 ASN B 33 12.689 -16.561 -6.344 1.00 25.00 H new ATOM 0 HD21 ASN B 33 16.478 -15.325 -7.038 1.00 25.00 H new ATOM 0 HD22 ASN B 33 16.068 -16.933 -6.431 1.00 25.00 H new ATOM 367 N GLN B 34 11.129 -16.354 -3.253 1.00 25.00 N ATOM 368 CA GLN B 34 9.811 -16.871 -2.902 1.00 25.00 C ATOM 369 C GLN B 34 9.057 -15.558 -2.578 1.00 25.00 C ATOM 370 O GLN B 34 9.717 -14.561 -2.392 1.00 25.00 O ATOM 371 CB GLN B 34 9.849 -17.782 -1.630 1.00 25.00 C ATOM 372 CG GLN B 34 10.468 -17.131 -0.417 1.00 25.00 C ATOM 373 CD GLN B 34 10.380 -17.977 0.870 1.00 25.00 C ATOM 374 OE1 GLN B 34 9.477 -17.812 1.686 1.00 25.00 O ATOM 375 NE2 GLN B 34 11.333 -18.825 1.076 1.00 25.00 N ATOM 0 H GLN B 34 11.291 -15.394 -2.947 1.00 25.00 H new ATOM 0 HA GLN B 34 9.370 -17.491 -3.683 1.00 25.00 H new ATOM 0 HB2 GLN B 34 8.831 -18.086 -1.385 1.00 25.00 H new ATOM 0 HB3 GLN B 34 10.405 -18.690 -1.864 1.00 25.00 H new ATOM 0 HG2 GLN B 34 11.516 -16.919 -0.628 1.00 25.00 H new ATOM 0 HG3 GLN B 34 9.978 -16.173 -0.243 1.00 25.00 H new ATOM 0 HE21 GLN B 34 12.071 -18.942 0.381 1.00 25.00 H new ATOM 0 HE22 GLN B 34 11.348 -19.377 1.933 1.00 25.00 H new ATOM 384 N HIS B 35 7.757 -15.575 -2.441 1.00 25.00 N ATOM 385 CA HIS B 35 7.021 -14.357 -2.089 1.00 25.00 C ATOM 386 C HIS B 35 7.333 -13.913 -0.668 1.00 25.00 C ATOM 387 O HIS B 35 7.436 -14.679 0.253 1.00 25.00 O ATOM 388 CB HIS B 35 5.508 -14.592 -2.163 1.00 25.00 C ATOM 389 CG HIS B 35 5.010 -14.910 -3.534 1.00 25.00 C ATOM 390 ND1 HIS B 35 4.707 -13.929 -4.458 1.00 25.00 N ATOM 391 CD2 HIS B 35 4.674 -16.075 -4.148 1.00 25.00 C ATOM 392 CE1 HIS B 35 4.242 -14.469 -5.563 1.00 25.00 C ATOM 393 NE2 HIS B 35 4.178 -15.771 -5.389 1.00 25.00 N ATOM 0 H HIS B 35 7.176 -16.405 -2.564 1.00 25.00 H new ATOM 0 HA HIS B 35 7.330 -13.593 -2.802 1.00 25.00 H new ATOM 0 HB2 HIS B 35 5.244 -15.410 -1.493 1.00 25.00 H new ATOM 0 HB3 HIS B 35 4.994 -13.703 -1.798 1.00 25.00 H new ATOM 0 HD1 HIS B 35 4.827 -12.928 -4.305 1.00 25.00 H new ATOM 0 HD2 HIS B 35 4.779 -17.066 -3.731 1.00 25.00 H new ATOM 0 HE1 HIS B 35 3.961 -13.935 -6.459 1.00 25.00 H new ATOM 402 N LEU B 36 7.442 -12.599 -0.500 1.00 25.00 N ATOM 403 CA LEU B 36 7.801 -12.021 0.811 1.00 25.00 C ATOM 404 C LEU B 36 6.807 -10.959 1.192 1.00 25.00 C ATOM 405 O LEU B 36 6.532 -10.033 0.430 1.00 25.00 O ATOM 406 CB LEU B 36 9.148 -11.393 0.719 1.00 25.00 C ATOM 407 CG LEU B 36 10.353 -12.278 0.437 1.00 25.00 C ATOM 408 CD1 LEU B 36 11.520 -11.398 0.060 1.00 25.00 C ATOM 409 CD2 LEU B 36 10.703 -13.183 1.649 1.00 25.00 C ATOM 0 H LEU B 36 7.291 -11.913 -1.239 1.00 25.00 H new ATOM 0 HA LEU B 36 7.800 -12.813 1.560 1.00 25.00 H new ATOM 0 HB2 LEU B 36 9.106 -10.635 -0.063 1.00 25.00 H new ATOM 0 HB3 LEU B 36 9.334 -10.872 1.658 1.00 25.00 H new ATOM 0 HG LEU B 36 10.115 -12.949 -0.389 1.00 25.00 H new ATOM 0 HD11 LEU B 36 12.392 -12.019 -0.145 1.00 25.00 H new ATOM 0 HD12 LEU B 36 11.268 -10.821 -0.830 1.00 25.00 H new ATOM 0 HD13 LEU B 36 11.744 -10.718 0.882 1.00 25.00 H new ATOM 0 HD21 LEU B 36 11.569 -13.799 1.405 1.00 25.00 H new ATOM 0 HD22 LEU B 36 10.932 -12.560 2.514 1.00 25.00 H new ATOM 0 HD23 LEU B 36 9.854 -13.826 1.880 1.00 25.00 H new ATOM 421 N CYS B 37 6.186 -11.085 2.338 1.00 25.00 N ATOM 422 CA CYS B 37 5.216 -10.082 2.774 1.00 25.00 C ATOM 423 C CYS B 37 5.316 -10.027 4.294 1.00 25.00 C ATOM 424 O CYS B 37 6.003 -10.844 4.907 1.00 25.00 O ATOM 425 CB CYS B 37 3.808 -10.480 2.320 1.00 25.00 C ATOM 426 SG CYS B 37 2.686 -9.064 2.336 1.00 25.00 S ATOM 0 H CYS B 37 6.325 -11.859 2.988 1.00 25.00 H new ATOM 0 HA CYS B 37 5.420 -9.103 2.341 1.00 25.00 H new ATOM 0 HB2 CYS B 37 3.853 -10.899 1.315 1.00 25.00 H new ATOM 0 HB3 CYS B 37 3.420 -11.261 2.974 1.00 25.00 H new ATOM 431 N GLY B 38 4.662 -9.054 4.914 1.00 25.00 N ATOM 432 CA GLY B 38 4.680 -8.956 6.346 1.00 25.00 C ATOM 433 C GLY B 38 6.065 -8.785 6.919 1.00 25.00 C ATOM 434 O GLY B 38 6.889 -8.100 6.359 1.00 25.00 O ATOM 0 H GLY B 38 4.119 -8.331 4.441 1.00 25.00 H new ATOM 0 HA2 GLY B 38 4.062 -8.112 6.653 1.00 25.00 H new ATOM 0 HA3 GLY B 38 4.228 -9.853 6.770 1.00 25.00 H new ATOM 438 N SER B 39 6.327 -9.383 8.076 1.00 25.00 N ATOM 439 CA SER B 39 7.617 -9.223 8.719 1.00 25.00 C ATOM 440 C SER B 39 8.778 -9.745 7.859 1.00 25.00 C ATOM 441 O SER B 39 9.867 -9.209 7.853 1.00 25.00 O ATOM 442 CB SER B 39 7.646 -9.899 10.100 1.00 25.00 C ATOM 443 OG SER B 39 8.907 -9.742 10.741 1.00 25.00 O ATOM 0 H SER B 39 5.668 -9.976 8.580 1.00 25.00 H new ATOM 0 HA SER B 39 7.756 -8.149 8.846 1.00 25.00 H new ATOM 0 HB2 SER B 39 6.864 -9.474 10.729 1.00 25.00 H new ATOM 0 HB3 SER B 39 7.425 -10.961 9.989 1.00 25.00 H new ATOM 0 HG SER B 39 8.886 -10.183 11.616 1.00 25.00 H new ATOM 449 N HIS B 40 8.516 -10.796 7.061 1.00 25.00 N ATOM 450 CA HIS B 40 9.554 -11.443 6.220 1.00 25.00 C ATOM 451 C HIS B 40 10.086 -10.455 5.177 1.00 25.00 C ATOM 452 O HIS B 40 11.190 -10.525 4.763 1.00 25.00 O ATOM 453 CB HIS B 40 8.985 -12.670 5.487 1.00 25.00 C ATOM 454 CG HIS B 40 8.830 -13.884 6.346 1.00 25.00 C ATOM 455 ND1 HIS B 40 8.271 -15.093 5.886 1.00 25.00 N ATOM 456 CD2 HIS B 40 9.215 -14.150 7.623 1.00 25.00 C ATOM 457 CE1 HIS B 40 8.311 -15.983 6.863 1.00 25.00 C ATOM 458 NE2 HIS B 40 8.857 -15.437 7.914 1.00 25.00 N ATOM 0 H HIS B 40 7.592 -11.221 6.977 1.00 25.00 H new ATOM 0 HA HIS B 40 10.361 -11.760 6.881 1.00 25.00 H new ATOM 0 HB2 HIS B 40 8.013 -12.410 5.068 1.00 25.00 H new ATOM 0 HB3 HIS B 40 9.639 -12.913 4.649 1.00 25.00 H new ATOM 0 HD2 HIS B 40 9.716 -13.464 8.290 1.00 25.00 H new ATOM 0 HE1 HIS B 40 7.950 -16.999 6.801 1.00 25.00 H new ATOM 0 HE2 HIS B 40 8.995 -15.898 8.813 1.00 25.00 H new ATOM 467 N LEU B 41 9.247 -9.537 4.724 1.00 25.00 N ATOM 468 CA LEU B 41 9.601 -8.569 3.675 1.00 25.00 C ATOM 469 C LEU B 41 10.667 -7.584 4.170 1.00 25.00 C ATOM 470 O LEU B 41 11.651 -7.339 3.472 1.00 25.00 O ATOM 471 CB LEU B 41 8.315 -7.808 3.262 1.00 25.00 C ATOM 472 CG LEU B 41 8.473 -6.780 2.092 1.00 25.00 C ATOM 473 CD1 LEU B 41 9.072 -7.317 0.861 1.00 25.00 C ATOM 474 CD2 LEU B 41 7.064 -6.200 1.795 1.00 25.00 C ATOM 0 H LEU B 41 8.293 -9.434 5.070 1.00 25.00 H new ATOM 0 HA LEU B 41 10.019 -9.098 2.818 1.00 25.00 H new ATOM 0 HB2 LEU B 41 7.559 -8.540 2.977 1.00 25.00 H new ATOM 0 HB3 LEU B 41 7.933 -7.279 4.135 1.00 25.00 H new ATOM 0 HG LEU B 41 9.179 -6.018 2.422 1.00 25.00 H new ATOM 0 HD11 LEU B 41 9.137 -6.527 0.113 1.00 25.00 H new ATOM 0 HD12 LEU B 41 10.071 -7.695 1.077 1.00 25.00 H new ATOM 0 HD13 LEU B 41 8.452 -8.128 0.479 1.00 25.00 H new ATOM 0 HD21 LEU B 41 7.132 -5.477 0.982 1.00 25.00 H new ATOM 0 HD22 LEU B 41 6.391 -7.008 1.506 1.00 25.00 H new ATOM 0 HD23 LEU B 41 6.678 -5.708 2.687 1.00 25.00 H new ATOM 486 N VAL B 42 10.469 -7.083 5.381 1.00 25.00 N ATOM 487 CA VAL B 42 11.395 -6.102 5.948 1.00 25.00 C ATOM 488 C VAL B 42 12.569 -6.797 6.531 1.00 25.00 C ATOM 489 O VAL B 42 13.687 -6.273 6.560 1.00 25.00 O ATOM 490 CB VAL B 42 10.691 -5.193 6.968 1.00 25.00 C ATOM 491 CG1 VAL B 42 9.815 -4.163 6.197 1.00 25.00 C ATOM 492 CG2 VAL B 42 9.824 -5.970 7.965 1.00 25.00 C ATOM 0 H VAL B 42 9.687 -7.333 5.987 1.00 25.00 H new ATOM 0 HA VAL B 42 11.752 -5.450 5.151 1.00 25.00 H new ATOM 0 HB VAL B 42 11.462 -4.691 7.553 1.00 25.00 H new ATOM 0 HG11 VAL B 42 9.309 -3.511 6.909 1.00 25.00 H new ATOM 0 HG12 VAL B 42 10.449 -3.564 5.543 1.00 25.00 H new ATOM 0 HG13 VAL B 42 9.073 -4.692 5.599 1.00 25.00 H new ATOM 0 HG21 VAL B 42 9.354 -5.273 8.659 1.00 25.00 H new ATOM 0 HG22 VAL B 42 9.053 -6.520 7.425 1.00 25.00 H new ATOM 0 HG23 VAL B 42 10.448 -6.670 8.521 1.00 25.00 H new ATOM 502 N GLU B 43 12.369 -8.075 6.838 1.00 25.00 N ATOM 503 CA GLU B 43 13.494 -8.916 7.278 1.00 25.00 C ATOM 504 C GLU B 43 14.480 -9.094 6.099 1.00 25.00 C ATOM 505 O GLU B 43 15.688 -9.030 6.236 1.00 25.00 O ATOM 506 CB GLU B 43 12.977 -10.298 7.743 1.00 25.00 C ATOM 507 CG GLU B 43 14.065 -11.182 8.338 1.00 25.00 C ATOM 508 CD GLU B 43 13.533 -12.548 8.787 1.00 25.00 C ATOM 509 OE1 GLU B 43 12.400 -12.931 8.609 1.00 25.00 O ATOM 510 OE2 GLU B 43 14.428 -13.312 9.297 1.00 25.00 O ATOM 0 H GLU B 43 11.466 -8.548 6.795 1.00 25.00 H new ATOM 0 HA GLU B 43 14.001 -8.435 8.114 1.00 25.00 H new ATOM 0 HB2 GLU B 43 12.191 -10.153 8.484 1.00 25.00 H new ATOM 0 HB3 GLU B 43 12.524 -10.812 6.895 1.00 25.00 H new ATOM 0 HG2 GLU B 43 14.854 -11.328 7.600 1.00 25.00 H new ATOM 0 HG3 GLU B 43 14.516 -10.674 9.190 1.00 25.00 H new ATOM 518 N ALA B 44 13.968 -9.351 4.907 1.00 25.00 N ATOM 519 CA ALA B 44 14.847 -9.600 3.764 1.00 25.00 C ATOM 520 C ALA B 44 15.481 -8.266 3.307 1.00 25.00 C ATOM 521 O ALA B 44 16.589 -8.225 2.860 1.00 25.00 O ATOM 522 CB ALA B 44 14.057 -10.216 2.595 1.00 25.00 C ATOM 0 H ALA B 44 12.970 -9.394 4.702 1.00 25.00 H new ATOM 0 HA ALA B 44 15.626 -10.300 4.067 1.00 25.00 H new ATOM 0 HB1 ALA B 44 14.729 -10.393 1.755 1.00 25.00 H new ATOM 0 HB2 ALA B 44 13.615 -11.161 2.912 1.00 25.00 H new ATOM 0 HB3 ALA B 44 13.267 -9.531 2.289 1.00 25.00 H new ATOM 528 N LEU B 45 14.709 -7.197 3.435 1.00 25.00 N ATOM 529 CA LEU B 45 15.215 -5.815 3.180 1.00 25.00 C ATOM 530 C LEU B 45 16.346 -5.496 4.113 1.00 25.00 C ATOM 531 O LEU B 45 17.299 -4.855 3.761 1.00 25.00 O ATOM 532 CB LEU B 45 14.090 -4.826 3.392 1.00 25.00 C ATOM 533 CG LEU B 45 13.940 -3.740 2.338 1.00 25.00 C ATOM 534 CD1 LEU B 45 12.850 -2.760 2.854 1.00 25.00 C ATOM 535 CD2 LEU B 45 15.138 -3.041 1.923 1.00 25.00 C ATOM 0 H LEU B 45 13.728 -7.238 3.713 1.00 25.00 H new ATOM 0 HA LEU B 45 15.577 -5.750 2.154 1.00 25.00 H new ATOM 0 HB2 LEU B 45 13.153 -5.380 3.448 1.00 25.00 H new ATOM 0 HB3 LEU B 45 14.234 -4.346 4.360 1.00 25.00 H new ATOM 0 HG LEU B 45 13.658 -4.241 1.412 1.00 25.00 H new ATOM 0 HD11 LEU B 45 12.707 -1.960 2.128 1.00 25.00 H new ATOM 0 HD12 LEU B 45 11.912 -3.298 2.991 1.00 25.00 H new ATOM 0 HD13 LEU B 45 13.166 -2.333 3.806 1.00 25.00 H new ATOM 0 HD21 LEU B 45 14.882 -2.296 1.169 1.00 25.00 H new ATOM 0 HD22 LEU B 45 15.587 -2.546 2.784 1.00 25.00 H new ATOM 0 HD23 LEU B 45 15.848 -3.753 1.503 1.00 25.00 H new ATOM 547 N TYR B 46 16.218 -5.898 5.372 1.00 25.00 N ATOM 548 CA TYR B 46 17.230 -5.661 6.331 1.00 25.00 C ATOM 549 C TYR B 46 18.491 -6.451 5.967 1.00 25.00 C ATOM 550 O TYR B 46 19.572 -5.922 6.009 1.00 25.00 O ATOM 551 CB TYR B 46 16.751 -6.011 7.745 1.00 25.00 C ATOM 552 CG TYR B 46 17.804 -5.720 8.811 1.00 25.00 C ATOM 553 CD1 TYR B 46 17.855 -4.415 9.430 1.00 25.00 C ATOM 554 CD2 TYR B 46 18.726 -6.719 9.188 1.00 25.00 C ATOM 555 CE1 TYR B 46 18.791 -4.136 10.422 1.00 25.00 C ATOM 556 CE2 TYR B 46 19.668 -6.432 10.157 1.00 25.00 C ATOM 557 CZ TYR B 46 19.697 -5.145 10.803 1.00 25.00 C ATOM 558 OH TYR B 46 20.641 -4.974 11.796 1.00 25.00 O ATOM 0 H TYR B 46 15.403 -6.394 5.732 1.00 25.00 H new ATOM 0 HA TYR B 46 17.469 -4.598 6.324 1.00 25.00 H new ATOM 0 HB2 TYR B 46 15.847 -5.445 7.969 1.00 25.00 H new ATOM 0 HB3 TYR B 46 16.483 -7.067 7.783 1.00 25.00 H new ATOM 0 HD1 TYR B 46 17.160 -3.649 9.120 1.00 25.00 H new ATOM 0 HD2 TYR B 46 18.696 -7.695 8.726 1.00 25.00 H new ATOM 0 HE1 TYR B 46 18.822 -3.164 10.891 1.00 25.00 H new ATOM 0 HE2 TYR B 46 20.393 -7.183 10.434 1.00 25.00 H new ATOM 0 HH TYR B 46 21.162 -5.798 11.898 1.00 25.00 H new ATOM 568 N LEU B 47 18.322 -7.703 5.519 1.00 25.00 N ATOM 569 CA LEU B 47 19.486 -8.541 5.137 1.00 25.00 C ATOM 570 C LEU B 47 20.231 -7.990 3.914 1.00 25.00 C ATOM 571 O LEU B 47 21.448 -7.968 3.884 1.00 25.00 O ATOM 572 CB LEU B 47 19.044 -9.971 4.882 1.00 25.00 C ATOM 573 CG LEU B 47 18.582 -10.829 6.074 1.00 25.00 C ATOM 574 CD1 LEU B 47 17.914 -12.134 5.562 1.00 25.00 C ATOM 575 CD2 LEU B 47 19.735 -11.192 7.003 1.00 25.00 C ATOM 0 H LEU B 47 17.415 -8.157 5.411 1.00 25.00 H new ATOM 0 HA LEU B 47 20.184 -8.520 5.974 1.00 25.00 H new ATOM 0 HB2 LEU B 47 18.227 -9.940 4.161 1.00 25.00 H new ATOM 0 HB3 LEU B 47 19.873 -10.492 4.402 1.00 25.00 H new ATOM 0 HG LEU B 47 17.866 -10.233 6.640 1.00 25.00 H new ATOM 0 HD11 LEU B 47 17.590 -12.735 6.412 1.00 25.00 H new ATOM 0 HD12 LEU B 47 17.051 -11.883 4.945 1.00 25.00 H new ATOM 0 HD13 LEU B 47 18.631 -12.701 4.969 1.00 25.00 H new ATOM 0 HD21 LEU B 47 19.360 -11.797 7.829 1.00 25.00 H new ATOM 0 HD22 LEU B 47 20.484 -11.758 6.449 1.00 25.00 H new ATOM 0 HD23 LEU B 47 20.186 -10.281 7.396 1.00 25.00 H new ATOM 587 N VAL B 48 19.492 -7.507 2.929 1.00 25.00 N ATOM 588 CA VAL B 48 20.094 -6.989 1.713 1.00 25.00 C ATOM 589 C VAL B 48 20.611 -5.537 1.792 1.00 25.00 C ATOM 590 O VAL B 48 21.594 -5.187 1.158 1.00 25.00 O ATOM 591 CB VAL B 48 19.069 -7.172 0.503 1.00 25.00 C ATOM 592 CG1 VAL B 48 17.960 -6.139 0.544 1.00 25.00 C ATOM 593 CG2 VAL B 48 19.807 -7.073 -0.817 1.00 25.00 C ATOM 0 H VAL B 48 18.473 -7.463 2.948 1.00 25.00 H new ATOM 0 HA VAL B 48 20.997 -7.577 1.550 1.00 25.00 H new ATOM 0 HB VAL B 48 18.614 -8.158 0.601 1.00 25.00 H new ATOM 0 HG11 VAL B 48 17.284 -6.298 -0.296 1.00 25.00 H new ATOM 0 HG12 VAL B 48 17.407 -6.236 1.478 1.00 25.00 H new ATOM 0 HG13 VAL B 48 18.391 -5.140 0.479 1.00 25.00 H new ATOM 0 HG21 VAL B 48 19.102 -7.199 -1.638 1.00 25.00 H new ATOM 0 HG22 VAL B 48 20.284 -6.096 -0.895 1.00 25.00 H new ATOM 0 HG23 VAL B 48 20.567 -7.853 -0.868 1.00 25.00 H new ATOM 603 N CYS B 49 19.937 -4.668 2.558 1.00 25.00 N ATOM 604 CA CYS B 49 20.327 -3.224 2.585 1.00 25.00 C ATOM 605 C CYS B 49 20.155 -2.520 3.962 1.00 25.00 C ATOM 606 O CYS B 49 20.283 -1.251 4.053 1.00 25.00 O ATOM 607 CB CYS B 49 19.495 -2.445 1.529 1.00 25.00 C ATOM 608 SG CYS B 49 20.516 -1.550 0.309 1.00 25.00 S ATOM 0 H CYS B 49 19.145 -4.912 3.152 1.00 25.00 H new ATOM 0 HA CYS B 49 21.394 -3.211 2.365 1.00 25.00 H new ATOM 0 HB2 CYS B 49 18.845 -3.144 1.003 1.00 25.00 H new ATOM 0 HB3 CYS B 49 18.848 -1.733 2.042 1.00 25.00 H new ATOM 613 N GLY B 50 19.875 -3.273 5.043 1.00 25.00 N ATOM 614 CA GLY B 50 19.631 -2.609 6.340 1.00 25.00 C ATOM 615 C GLY B 50 20.896 -2.285 7.124 1.00 25.00 C ATOM 616 O GLY B 50 21.116 -2.808 8.190 1.00 25.00 O ATOM 0 H GLY B 50 19.814 -4.291 5.051 1.00 25.00 H new ATOM 0 HA2 GLY B 50 19.079 -1.685 6.164 1.00 25.00 H new ATOM 0 HA3 GLY B 50 18.994 -3.250 6.949 1.00 25.00 H new ATOM 620 N GLU B 51 21.728 -1.439 6.541 1.00 25.00 N ATOM 621 CA GLU B 51 23.025 -1.000 7.109 1.00 25.00 C ATOM 622 C GLU B 51 22.889 -0.173 8.408 1.00 25.00 C ATOM 623 O GLU B 51 23.774 -0.234 9.268 1.00 25.00 O ATOM 624 CB GLU B 51 23.778 -0.143 6.068 1.00 25.00 C ATOM 625 CG GLU B 51 23.999 -0.812 4.683 1.00 25.00 C ATOM 626 CD GLU B 51 25.125 -0.143 3.902 1.00 25.00 C ATOM 627 OE1 GLU B 51 26.247 -0.598 3.820 1.00 25.00 O ATOM 628 OE2 GLU B 51 24.798 1.021 3.389 1.00 25.00 O ATOM 0 H GLU B 51 21.529 -1.017 5.634 1.00 25.00 H new ATOM 0 HA GLU B 51 23.570 -1.910 7.358 1.00 25.00 H new ATOM 0 HB2 GLU B 51 23.226 0.785 5.920 1.00 25.00 H new ATOM 0 HB3 GLU B 51 24.750 0.127 6.481 1.00 25.00 H new ATOM 0 HG2 GLU B 51 24.231 -1.868 4.823 1.00 25.00 H new ATOM 0 HG3 GLU B 51 23.077 -0.762 4.104 1.00 25.00 H new ATOM 636 N GLN B 52 21.751 0.529 8.562 1.00 25.00 N ATOM 637 CA GLN B 52 21.476 1.234 9.804 1.00 25.00 C ATOM 638 C GLN B 52 20.219 0.685 10.465 1.00 25.00 C ATOM 639 O GLN B 52 19.918 0.990 11.604 1.00 25.00 O ATOM 640 CB GLN B 52 21.297 2.744 9.587 1.00 25.00 C ATOM 641 CG GLN B 52 22.502 3.374 9.045 1.00 25.00 C ATOM 642 CD GLN B 52 22.250 4.839 8.878 1.00 25.00 C ATOM 643 OE1 GLN B 52 21.788 5.503 9.803 1.00 25.00 O ATOM 644 NE2 GLN B 52 22.608 5.378 7.741 1.00 25.00 N ATOM 0 H GLN B 52 21.026 0.616 7.850 1.00 25.00 H new ATOM 0 HA GLN B 52 22.341 1.076 10.448 1.00 25.00 H new ATOM 0 HB2 GLN B 52 20.463 2.915 8.906 1.00 25.00 H new ATOM 0 HB3 GLN B 52 21.037 3.217 10.534 1.00 25.00 H new ATOM 0 HG2 GLN B 52 23.346 3.211 9.715 1.00 25.00 H new ATOM 0 HG3 GLN B 52 22.764 2.925 8.087 1.00 25.00 H new ATOM 0 HE21 GLN B 52 22.988 4.793 6.997 1.00 25.00 H new ATOM 0 HE22 GLN B 52 22.507 6.383 7.599 1.00 25.00 H new ATOM 653 N GLY B 53 19.438 -0.033 9.679 1.00 25.00 N ATOM 654 CA GLY B 53 18.118 -0.404 10.105 1.00 25.00 C ATOM 655 C GLY B 53 17.146 0.692 9.718 1.00 25.00 C ATOM 656 O GLY B 53 17.502 1.847 9.596 1.00 25.00 O ATOM 0 H GLY B 53 19.700 -0.365 8.751 1.00 25.00 H new ATOM 0 HA2 GLY B 53 17.825 -1.347 9.643 1.00 25.00 H new ATOM 0 HA3 GLY B 53 18.101 -0.558 11.184 1.00 25.00 H new ATOM 660 N PHE B 54 15.882 0.317 9.533 1.00 25.00 N ATOM 661 CA PHE B 54 14.887 1.256 8.969 1.00 25.00 C ATOM 662 C PHE B 54 14.024 1.864 10.042 1.00 25.00 C ATOM 663 O PHE B 54 13.721 3.035 9.989 1.00 25.00 O ATOM 664 CB PHE B 54 13.986 0.488 7.969 1.00 25.00 C ATOM 665 CG PHE B 54 14.784 -0.282 6.961 1.00 25.00 C ATOM 666 CD1 PHE B 54 15.755 0.364 6.215 1.00 25.00 C ATOM 667 CD2 PHE B 54 14.634 -1.666 6.851 1.00 25.00 C ATOM 668 CE1 PHE B 54 16.576 -0.344 5.293 1.00 25.00 C ATOM 669 CE2 PHE B 54 15.486 -2.401 5.959 1.00 25.00 C ATOM 670 CZ PHE B 54 16.469 -1.729 5.180 1.00 25.00 C ATOM 0 H PHE B 54 15.517 -0.609 9.757 1.00 25.00 H new ATOM 0 HA PHE B 54 15.423 2.063 8.470 1.00 25.00 H new ATOM 0 HB2 PHE B 54 13.340 -0.197 8.518 1.00 25.00 H new ATOM 0 HB3 PHE B 54 13.336 1.194 7.452 1.00 25.00 H new ATOM 0 HD1 PHE B 54 15.892 1.428 6.335 1.00 25.00 H new ATOM 0 HD2 PHE B 54 13.883 -2.180 7.433 1.00 25.00 H new ATOM 0 HE1 PHE B 54 17.284 0.193 4.679 1.00 25.00 H new ATOM 0 HE2 PHE B 54 15.380 -3.473 5.879 1.00 25.00 H new ATOM 0 HZ PHE B 54 17.118 -2.280 4.516 1.00 25.00 H new ATOM 680 N PHE B 55 13.680 1.071 11.037 1.00 25.00 N ATOM 681 CA PHE B 55 12.937 1.545 12.213 1.00 25.00 C ATOM 682 C PHE B 55 13.120 0.632 13.429 1.00 25.00 C ATOM 683 O PHE B 55 12.549 -0.452 13.524 1.00 25.00 O ATOM 684 CB PHE B 55 11.461 1.690 11.928 1.00 25.00 C ATOM 685 CG PHE B 55 10.673 2.521 12.979 1.00 25.00 C ATOM 686 CD1 PHE B 55 10.719 3.939 12.932 1.00 25.00 C ATOM 687 CD2 PHE B 55 9.963 1.882 14.007 1.00 25.00 C ATOM 688 CE1 PHE B 55 10.030 4.716 13.908 1.00 25.00 C ATOM 689 CE2 PHE B 55 9.256 2.643 14.996 1.00 25.00 C ATOM 690 CZ PHE B 55 9.289 4.068 14.903 1.00 25.00 C ATOM 0 H PHE B 55 13.903 0.076 11.064 1.00 25.00 H new ATOM 0 HA PHE B 55 13.356 2.524 12.445 1.00 25.00 H new ATOM 0 HB2 PHE B 55 11.338 2.156 10.950 1.00 25.00 H new ATOM 0 HB3 PHE B 55 11.018 0.696 11.865 1.00 25.00 H new ATOM 0 HD1 PHE B 55 11.280 4.432 12.152 1.00 25.00 H new ATOM 0 HD2 PHE B 55 9.949 0.803 14.054 1.00 25.00 H new ATOM 0 HE1 PHE B 55 10.079 5.795 13.880 1.00 25.00 H new ATOM 0 HE2 PHE B 55 8.713 2.152 15.790 1.00 25.00 H new ATOM 0 HZ PHE B 55 8.731 4.658 15.615 1.00 25.00 H new ATOM 700 N TYR B 56 13.873 1.140 14.400 1.00 25.00 N ATOM 701 CA TYR B 56 13.962 0.510 15.729 1.00 25.00 C ATOM 702 C TYR B 56 14.324 1.567 16.765 1.00 25.00 C ATOM 703 O TYR B 56 15.173 2.424 16.557 1.00 25.00 O ATOM 704 CB TYR B 56 14.982 -0.643 15.704 1.00 25.00 C ATOM 705 CG TYR B 56 15.231 -1.133 17.099 1.00 25.00 C ATOM 706 CD1 TYR B 56 14.287 -1.929 17.803 1.00 25.00 C ATOM 707 CD2 TYR B 56 16.428 -0.804 17.749 1.00 25.00 C ATOM 708 CE1 TYR B 56 14.523 -2.315 19.146 1.00 25.00 C ATOM 709 CE2 TYR B 56 16.699 -1.266 19.103 1.00 25.00 C ATOM 710 CZ TYR B 56 15.714 -2.010 19.771 1.00 25.00 C ATOM 711 OH TYR B 56 15.893 -2.365 21.051 1.00 25.00 O ATOM 0 H TYR B 56 14.433 1.986 14.299 1.00 25.00 H new ATOM 0 HA TYR B 56 12.998 0.082 16.003 1.00 25.00 H new ATOM 0 HB2 TYR B 56 14.608 -1.458 15.084 1.00 25.00 H new ATOM 0 HB3 TYR B 56 15.916 -0.304 15.256 1.00 25.00 H new ATOM 0 HD1 TYR B 56 13.380 -2.243 17.309 1.00 25.00 H new ATOM 0 HD2 TYR B 56 17.161 -0.198 17.238 1.00 25.00 H new ATOM 0 HE1 TYR B 56 13.760 -2.855 19.687 1.00 25.00 H new ATOM 0 HE2 TYR B 56 17.639 -1.041 19.584 1.00 25.00 H new ATOM 0 HH TYR B 56 16.783 -2.081 21.348 1.00 25.00 H new ATOM 721 N THR B 57 13.619 1.512 17.903 1.00 25.00 N ATOM 722 CA THR B 57 13.784 2.498 18.974 1.00 25.00 C ATOM 723 C THR B 57 14.579 1.867 20.117 1.00 25.00 C ATOM 724 O THR B 57 14.063 1.017 20.843 1.00 25.00 O ATOM 725 CB THR B 57 12.398 2.869 19.535 1.00 25.00 C ATOM 726 OG1 THR B 57 11.554 3.270 18.421 1.00 25.00 O ATOM 727 CG2 THR B 57 12.460 3.993 20.526 1.00 25.00 C ATOM 0 H THR B 57 12.926 0.791 18.104 1.00 25.00 H new ATOM 0 HA THR B 57 14.295 3.376 18.578 1.00 25.00 H new ATOM 0 HB THR B 57 11.998 1.999 20.056 1.00 25.00 H new ATOM 0 HG1 THR B 57 10.664 3.510 18.754 1.00 25.00 H new ATOM 0 HG21 THR B 57 11.456 4.214 20.889 1.00 25.00 H new ATOM 0 HG22 THR B 57 13.094 3.704 21.364 1.00 25.00 H new ATOM 0 HG23 THR B 57 12.875 4.879 20.046 1.00 25.00 H new ATOM 735 N PRO B 58 15.855 2.246 20.285 1.00 25.00 N ATOM 736 CA PRO B 58 16.589 1.587 21.391 1.00 25.00 C ATOM 737 C PRO B 58 16.151 2.117 22.769 1.00 25.00 C ATOM 738 O PRO B 58 15.532 3.153 22.874 1.00 25.00 O ATOM 739 CB PRO B 58 18.054 1.884 21.062 1.00 25.00 C ATOM 740 CG PRO B 58 18.017 3.209 20.380 1.00 25.00 C ATOM 741 CD PRO B 58 16.718 3.213 19.563 1.00 25.00 C ATOM 0 HA PRO B 58 16.396 0.517 21.463 1.00 25.00 H new ATOM 0 HB2 PRO B 58 18.665 1.918 21.964 1.00 25.00 H new ATOM 0 HB3 PRO B 58 18.480 1.116 20.416 1.00 25.00 H new ATOM 0 HG2 PRO B 58 18.028 4.024 21.104 1.00 25.00 H new ATOM 0 HG3 PRO B 58 18.886 3.343 19.736 1.00 25.00 H new ATOM 0 HD2 PRO B 58 16.268 4.205 19.528 1.00 25.00 H new ATOM 0 HD3 PRO B 58 16.891 2.905 18.532 1.00 25.00 H new ATOM 749 N LYS B 59 16.461 1.365 23.792 1.00 25.00 N ATOM 750 CA LYS B 59 16.051 1.673 25.176 1.00 25.00 C ATOM 751 C LYS B 59 17.219 1.395 26.162 1.00 25.00 C ATOM 752 O LYS B 59 17.066 1.116 27.361 1.00 25.00 O ATOM 753 CB LYS B 59 14.784 0.883 25.626 1.00 25.00 C ATOM 754 CG LYS B 59 14.948 -0.687 25.719 1.00 25.00 C ATOM 755 CD LYS B 59 13.623 -1.388 26.132 1.00 25.00 C ATOM 756 CE LYS B 59 13.831 -2.862 26.500 1.00 25.00 C ATOM 757 NZ LYS B 59 14.553 -3.038 27.770 1.00 25.00 N ATOM 0 H LYS B 59 17.010 0.509 23.709 1.00 25.00 H new ATOM 0 HA LYS B 59 15.794 2.732 25.193 1.00 25.00 H new ATOM 0 HB2 LYS B 59 14.475 1.255 26.603 1.00 25.00 H new ATOM 0 HB3 LYS B 59 13.975 1.104 24.930 1.00 25.00 H new ATOM 0 HG2 LYS B 59 15.278 -1.075 24.755 1.00 25.00 H new ATOM 0 HG3 LYS B 59 15.726 -0.928 26.443 1.00 25.00 H new ATOM 0 HD2 LYS B 59 13.187 -0.862 26.981 1.00 25.00 H new ATOM 0 HD3 LYS B 59 12.908 -1.318 25.312 1.00 25.00 H new ATOM 0 HE2 LYS B 59 12.861 -3.355 26.568 1.00 25.00 H new ATOM 0 HE3 LYS B 59 14.385 -3.356 25.702 1.00 25.00 H new ATOM 0 HZ1 LYS B 59 14.561 -4.045 28.028 1.00 25.00 H new ATOM 0 HZ2 LYS B 59 15.531 -2.700 27.663 1.00 25.00 H new ATOM 0 HZ3 LYS B 59 14.078 -2.493 28.518 1.00 25.00 H new ATOM 771 N THR B 60 18.401 1.392 25.573 1.00 25.00 N ATOM 772 CA THR B 60 19.649 1.035 26.245 1.00 25.00 C ATOM 773 C THR B 60 19.830 1.869 27.521 1.00 25.00 C ATOM 774 O THR B 60 19.742 3.061 27.555 1.00 25.00 O ATOM 775 CB THR B 60 20.763 1.299 25.230 1.00 25.00 C ATOM 776 OG1 THR B 60 20.197 2.048 24.170 1.00 25.00 O ATOM 777 CG2 THR B 60 21.244 -0.001 24.564 1.00 25.00 C ATOM 778 OXT THR B 60 20.104 1.192 28.558 1.00 25.00 O ATOM 0 H THR B 60 18.529 1.642 24.593 1.00 25.00 H new ATOM 0 HA THR B 60 19.657 -0.008 26.562 1.00 25.00 H new ATOM 0 HB THR B 60 21.584 1.791 25.752 1.00 25.00 H new ATOM 0 HG1 THR B 60 20.886 2.238 23.499 1.00 25.00 H new ATOM 0 HG21 THR B 60 22.035 0.227 23.850 1.00 25.00 H new ATOM 0 HG22 THR B 60 21.628 -0.680 25.326 1.00 25.00 H new ATOM 0 HG23 THR B 60 20.411 -0.473 24.044 1.00 25.00 H new TER 787 THR B 60