USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 47 LYS NZ :NH3+ 169:sc= 0.79 (180deg=-0.067) USER MOD Set 1.2: A 51 SER OG : rot -103:sc= 0.871 USER MOD Set 2.1: A 32 SER OG : rot -43:sc= 1.28 USER MOD Set 2.2: A 33 GLN : amide:sc= -0.226 X(o=1.1,f=0.95) USER MOD Set 3.1: A 23 ASN : amide:sc= 0.471 K(o=0.49,f=-4.4!) USER MOD Set 3.2: A 26 THR OG1 : rot -160:sc= 0.0222 USER MOD Set 4.1: A 4 CYS SG : rot 180:sc= 0 USER MOD Set 4.2: A 67 GLN : amide:sc= -0.0367 K(o=-0.037,f=-1.2) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -128:sc= 0.933 USER MOD Single : A 9 LYS NZ :NH3+ 167:sc= 1.23 (180deg=0.903) USER MOD Single : A 12 GLN : amide:sc= -0.0803 K(o=-0.08,f=-3.6!) USER MOD Single : A 13 LYS NZ :NH3+ 165:sc= 1.17 (180deg=0.109) USER MOD Single : A 17 MET CE :methyl -168:sc= -0.344 (180deg=-0.681) USER MOD Single : A 21 GLN : amide:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 28 THR OG1 : rot 83:sc= 1.3 USER MOD Single : A 29 GLN : amide:sc= 1.17 K(o=1.2,f=-0.0071) USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= 1.39 (180deg=1.31) USER MOD Single : A 39 LYS NZ :NH3+ -159:sc= 1.05 (180deg=0.677) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 161:sc= 0 (180deg=-0.00587) USER MOD Single : A 57 SER OG : rot -139:sc= 1.22 USER MOD Single : A 62 THR OG1 : rot -70:sc= 1.15 USER MOD Single : A 64 LYS NZ :NH3+ 149:sc= 1.27 (180deg=-0.0107) USER MOD Single : A 65 LYS NZ :NH3+ 155:sc= 1.08 (180deg=-0.431) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N TYR A 2 -15.291 -1.660 6.791 1.00 0.00 N ATOM 11 CA TYR A 2 -14.068 -1.882 7.605 1.00 0.00 C ATOM 12 C TYR A 2 -12.810 -1.632 6.773 1.00 0.00 C ATOM 13 O TYR A 2 -12.086 -0.675 7.042 1.00 0.00 O ATOM 14 CB TYR A 2 -14.075 -3.243 8.334 1.00 0.00 C ATOM 15 CG TYR A 2 -12.766 -3.607 9.021 1.00 0.00 C ATOM 16 CD1 TYR A 2 -12.321 -2.878 10.142 1.00 0.00 C ATOM 17 CD2 TYR A 2 -11.990 -4.683 8.542 1.00 0.00 C ATOM 18 CE1 TYR A 2 -11.110 -3.215 10.777 1.00 0.00 C ATOM 19 CE2 TYR A 2 -10.778 -5.024 9.171 1.00 0.00 C ATOM 20 CZ TYR A 2 -10.332 -4.293 10.294 1.00 0.00 C ATOM 21 OH TYR A 2 -9.138 -4.600 10.868 1.00 0.00 O ATOM 0 HA TYR A 2 -14.062 -1.145 8.408 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -14.870 -3.236 9.079 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -14.320 -4.024 7.614 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -12.912 -2.056 10.517 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -12.328 -5.249 7.687 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -10.775 -2.650 11.634 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -10.188 -5.846 8.794 1.00 0.00 H new ATOM 0 HH TYR A 2 -8.742 -5.370 10.408 1.00 0.00 H new ATOM 31 N PHE A 3 -12.656 -2.402 5.697 1.00 0.00 N ATOM 32 CA PHE A 3 -11.660 -2.343 4.648 1.00 0.00 C ATOM 33 C PHE A 3 -11.091 -0.959 4.349 1.00 0.00 C ATOM 34 O PHE A 3 -9.913 -0.895 4.026 1.00 0.00 O ATOM 35 CB PHE A 3 -12.290 -2.850 3.349 1.00 0.00 C ATOM 36 CG PHE A 3 -12.381 -4.337 3.120 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.222 -5.020 2.709 1.00 0.00 C ATOM 38 CD2 PHE A 3 -13.623 -4.997 3.119 1.00 0.00 C ATOM 39 CE1 PHE A 3 -11.308 -6.360 2.306 1.00 0.00 C ATOM 40 CE2 PHE A 3 -13.703 -6.347 2.756 1.00 0.00 C ATOM 41 CZ PHE A 3 -12.545 -7.018 2.345 1.00 0.00 C ATOM 0 H PHE A 3 -13.307 -3.169 5.528 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.833 -2.952 5.013 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -13.300 -2.444 3.292 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.727 -2.422 2.520 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -10.268 -4.513 2.704 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -14.518 -4.461 3.399 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.426 -6.883 1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -14.649 -6.866 2.793 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.606 -8.056 2.054 1.00 0.00 H new ATOM 51 N CYS A 4 -11.888 0.118 4.364 1.00 0.00 N ATOM 52 CA CYS A 4 -11.383 1.443 4.036 1.00 0.00 C ATOM 53 C CYS A 4 -10.263 1.843 4.993 1.00 0.00 C ATOM 54 O CYS A 4 -9.171 2.149 4.531 1.00 0.00 O ATOM 55 CB CYS A 4 -12.490 2.503 4.040 1.00 0.00 C ATOM 56 SG CYS A 4 -11.972 3.973 3.121 1.00 0.00 S ATOM 0 H CYS A 4 -12.880 0.090 4.600 1.00 0.00 H new ATOM 0 HA CYS A 4 -10.985 1.392 3.022 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -13.396 2.091 3.596 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -12.734 2.777 5.066 1.00 0.00 H new ATOM 0 HG CYS A 4 -12.927 4.854 3.138 1.00 0.00 H new ATOM 61 N GLU A 5 -10.509 1.804 6.305 1.00 0.00 N ATOM 62 CA GLU A 5 -9.489 2.085 7.309 1.00 0.00 C ATOM 63 C GLU A 5 -8.363 1.064 7.176 1.00 0.00 C ATOM 64 O GLU A 5 -7.198 1.446 7.167 1.00 0.00 O ATOM 65 CB GLU A 5 -10.078 2.173 8.723 1.00 0.00 C ATOM 66 CG GLU A 5 -9.016 2.342 9.831 1.00 0.00 C ATOM 67 CD GLU A 5 -7.968 3.454 9.621 1.00 0.00 C ATOM 68 OE1 GLU A 5 -8.237 4.469 8.938 1.00 0.00 O ATOM 69 OE2 GLU A 5 -6.857 3.302 10.182 1.00 0.00 O ATOM 0 H GLU A 5 -11.422 1.576 6.698 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.065 3.073 7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.771 3.013 8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -10.657 1.271 8.922 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.533 2.534 10.771 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.489 1.395 9.945 1.00 0.00 H new ATOM 76 N SER A 6 -8.685 -0.230 7.091 1.00 0.00 N ATOM 77 CA SER A 6 -7.686 -1.287 6.935 1.00 0.00 C ATOM 78 C SER A 6 -6.695 -0.950 5.799 1.00 0.00 C ATOM 79 O SER A 6 -5.481 -0.925 5.999 1.00 0.00 O ATOM 80 CB SER A 6 -8.413 -2.609 6.645 1.00 0.00 C ATOM 81 OG SER A 6 -9.603 -2.739 7.399 1.00 0.00 O ATOM 0 H SER A 6 -9.645 -0.572 7.129 1.00 0.00 H new ATOM 0 HA SER A 6 -7.107 -1.377 7.854 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.650 -2.667 5.583 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.749 -3.444 6.869 1.00 0.00 H new ATOM 0 HG SER A 6 -9.601 -3.600 7.867 1.00 0.00 H new ATOM 87 N CYS A 7 -7.226 -0.671 4.608 1.00 0.00 N ATOM 88 CA CYS A 7 -6.526 -0.284 3.394 1.00 0.00 C ATOM 89 C CYS A 7 -5.756 1.016 3.600 1.00 0.00 C ATOM 90 O CYS A 7 -4.569 1.080 3.280 1.00 0.00 O ATOM 91 CB CYS A 7 -7.565 -0.140 2.276 1.00 0.00 C ATOM 92 SG CYS A 7 -6.960 0.505 0.702 1.00 0.00 S ATOM 0 H CYS A 7 -8.234 -0.715 4.462 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.794 -1.045 3.124 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.012 -1.118 2.096 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.361 0.514 2.631 1.00 0.00 H new ATOM 97 N ARG A 8 -6.414 2.040 4.151 1.00 0.00 N ATOM 98 CA ARG A 8 -5.808 3.323 4.453 1.00 0.00 C ATOM 99 C ARG A 8 -4.572 3.088 5.293 1.00 0.00 C ATOM 100 O ARG A 8 -3.515 3.571 4.923 1.00 0.00 O ATOM 101 CB ARG A 8 -6.828 4.259 5.133 1.00 0.00 C ATOM 102 CG ARG A 8 -6.152 5.508 5.709 1.00 0.00 C ATOM 103 CD ARG A 8 -7.120 6.494 6.351 1.00 0.00 C ATOM 104 NE ARG A 8 -6.340 7.482 7.115 1.00 0.00 N ATOM 105 CZ ARG A 8 -6.351 7.683 8.437 1.00 0.00 C ATOM 106 NH1 ARG A 8 -7.126 6.971 9.255 1.00 0.00 N ATOM 107 NH2 ARG A 8 -5.535 8.612 8.927 1.00 0.00 N ATOM 0 H ARG A 8 -7.402 1.991 4.401 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.503 3.827 3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.588 4.557 4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.340 3.721 5.931 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.416 5.201 6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.608 6.015 4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.717 6.991 5.587 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.815 5.970 7.007 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.719 8.083 6.573 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.736 6.246 8.877 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.109 7.151 10.259 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.930 9.142 8.299 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.514 8.795 9.930 1.00 0.00 H new ATOM 121 N LYS A 9 -4.676 2.368 6.407 1.00 0.00 N ATOM 122 CA LYS A 9 -3.567 2.131 7.316 1.00 0.00 C ATOM 123 C LYS A 9 -2.421 1.410 6.605 1.00 0.00 C ATOM 124 O LYS A 9 -1.270 1.785 6.825 1.00 0.00 O ATOM 125 CB LYS A 9 -4.109 1.381 8.540 1.00 0.00 C ATOM 126 CG LYS A 9 -3.056 1.208 9.641 1.00 0.00 C ATOM 127 CD LYS A 9 -3.694 0.774 10.975 1.00 0.00 C ATOM 128 CE LYS A 9 -3.851 1.906 12.009 1.00 0.00 C ATOM 129 NZ LYS A 9 -4.602 3.082 11.512 1.00 0.00 N ATOM 0 H LYS A 9 -5.547 1.928 6.704 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.135 3.070 7.661 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.965 1.922 8.943 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.469 0.400 8.230 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.322 0.465 9.329 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.519 2.146 9.782 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.676 0.347 10.771 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.087 -0.018 11.412 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.358 1.511 12.890 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.861 2.230 12.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.856 3.696 12.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.011 3.614 10.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.468 2.763 11.032 1.00 0.00 H new ATOM 143 N ILE A 10 -2.724 0.424 5.753 1.00 0.00 N ATOM 144 CA ILE A 10 -1.736 -0.276 4.933 1.00 0.00 C ATOM 145 C ILE A 10 -0.977 0.743 4.071 1.00 0.00 C ATOM 146 O ILE A 10 0.245 0.832 4.182 1.00 0.00 O ATOM 147 CB ILE A 10 -2.396 -1.440 4.151 1.00 0.00 C ATOM 148 CG1 ILE A 10 -2.791 -2.557 5.144 1.00 0.00 C ATOM 149 CG2 ILE A 10 -1.455 -2.049 3.096 1.00 0.00 C ATOM 150 CD1 ILE A 10 -3.855 -3.513 4.596 1.00 0.00 C ATOM 0 H ILE A 10 -3.677 0.087 5.614 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.985 -0.760 5.558 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.266 -1.031 3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.901 -3.129 5.408 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.161 -2.102 6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.966 -2.860 2.577 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.169 -1.281 2.377 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.562 -2.438 3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.084 -4.271 5.345 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.759 -2.953 4.358 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.480 -3.996 3.694 1.00 0.00 H new ATOM 162 N ILE A 11 -1.676 1.521 3.236 1.00 0.00 N ATOM 163 CA ILE A 11 -1.034 2.505 2.366 1.00 0.00 C ATOM 164 C ILE A 11 -0.329 3.591 3.190 1.00 0.00 C ATOM 165 O ILE A 11 0.756 4.008 2.809 1.00 0.00 O ATOM 166 CB ILE A 11 -2.057 3.104 1.373 1.00 0.00 C ATOM 167 CG1 ILE A 11 -2.614 2.104 0.329 1.00 0.00 C ATOM 168 CG2 ILE A 11 -1.481 4.314 0.619 1.00 0.00 C ATOM 169 CD1 ILE A 11 -1.578 1.370 -0.529 1.00 0.00 C ATOM 0 H ILE A 11 -2.691 1.485 3.147 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.266 2.000 1.780 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.886 3.405 2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.213 1.360 0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.288 2.644 -0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.231 4.705 -0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.204 5.089 1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.599 4.006 0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.088 0.699 -1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.992 2.096 -1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.916 0.792 0.115 1.00 0.00 H new ATOM 181 N GLN A 12 -0.907 4.065 4.297 1.00 0.00 N ATOM 182 CA GLN A 12 -0.348 5.159 5.085 1.00 0.00 C ATOM 183 C GLN A 12 1.058 4.799 5.532 1.00 0.00 C ATOM 184 O GLN A 12 1.966 5.592 5.308 1.00 0.00 O ATOM 185 CB GLN A 12 -1.212 5.477 6.322 1.00 0.00 C ATOM 186 CG GLN A 12 -2.525 6.217 6.021 1.00 0.00 C ATOM 187 CD GLN A 12 -2.494 7.735 6.221 1.00 0.00 C ATOM 188 OE1 GLN A 12 -3.488 8.309 6.671 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.409 8.410 5.870 1.00 0.00 N ATOM 0 H GLN A 12 -1.781 3.696 4.671 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.328 6.046 4.452 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.447 4.543 6.833 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.623 6.079 7.014 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.808 6.011 4.989 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.308 5.802 6.655 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.598 7.915 5.500 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.385 9.425 5.970 1.00 0.00 H new ATOM 198 N LYS A 13 1.242 3.630 6.161 1.00 0.00 N ATOM 199 CA LYS A 13 2.576 3.248 6.607 1.00 0.00 C ATOM 200 C LYS A 13 3.492 2.958 5.417 1.00 0.00 C ATOM 201 O LYS A 13 4.702 3.057 5.578 1.00 0.00 O ATOM 202 CB LYS A 13 2.564 2.169 7.706 1.00 0.00 C ATOM 203 CG LYS A 13 3.863 2.101 8.548 1.00 0.00 C ATOM 204 CD LYS A 13 4.369 3.483 9.012 1.00 0.00 C ATOM 205 CE LYS A 13 5.446 3.463 10.107 1.00 0.00 C ATOM 206 NZ LYS A 13 6.039 4.810 10.292 1.00 0.00 N ATOM 0 H LYS A 13 0.505 2.955 6.365 1.00 0.00 H new ATOM 0 HA LYS A 13 3.019 4.106 7.113 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.722 2.356 8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.394 1.197 7.243 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.687 1.475 9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.642 1.616 7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.766 4.014 8.147 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.518 4.058 9.376 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.009 3.122 11.046 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.227 2.751 9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.568 4.837 11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.684 5.017 9.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.282 5.522 10.316 1.00 0.00 H new ATOM 220 N LEU A 14 2.955 2.518 4.273 1.00 0.00 N ATOM 221 CA LEU A 14 3.758 2.351 3.067 1.00 0.00 C ATOM 222 C LEU A 14 4.353 3.706 2.693 1.00 0.00 C ATOM 223 O LEU A 14 5.571 3.832 2.668 1.00 0.00 O ATOM 224 CB LEU A 14 2.925 1.766 1.900 1.00 0.00 C ATOM 225 CG LEU A 14 3.727 1.236 0.694 1.00 0.00 C ATOM 226 CD1 LEU A 14 4.713 2.218 0.069 1.00 0.00 C ATOM 227 CD2 LEU A 14 4.489 -0.032 1.060 1.00 0.00 C ATOM 0 H LEU A 14 1.971 2.273 4.162 1.00 0.00 H new ATOM 0 HA LEU A 14 4.557 1.637 3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.313 0.953 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.242 2.538 1.545 1.00 0.00 H new ATOM 0 HG LEU A 14 2.960 1.046 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.221 1.740 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.175 3.097 -0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.449 2.519 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.046 -0.385 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.182 0.182 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.785 -0.801 1.376 1.00 0.00 H new ATOM 239 N GLU A 15 3.497 4.693 2.422 1.00 0.00 N ATOM 240 CA GLU A 15 3.875 6.009 1.921 1.00 0.00 C ATOM 241 C GLU A 15 4.858 6.686 2.881 1.00 0.00 C ATOM 242 O GLU A 15 5.884 7.199 2.452 1.00 0.00 O ATOM 243 CB GLU A 15 2.585 6.815 1.663 1.00 0.00 C ATOM 244 CG GLU A 15 2.836 8.044 0.782 1.00 0.00 C ATOM 245 CD GLU A 15 1.550 8.778 0.367 1.00 0.00 C ATOM 246 OE1 GLU A 15 0.760 9.251 1.224 1.00 0.00 O ATOM 247 OE2 GLU A 15 1.356 9.010 -0.846 1.00 0.00 O ATOM 0 H GLU A 15 2.490 4.592 2.550 1.00 0.00 H new ATOM 0 HA GLU A 15 4.410 5.936 0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.846 6.172 1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.161 7.133 2.615 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.484 8.738 1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.373 7.734 -0.115 1.00 0.00 H new ATOM 254 N ASP A 16 4.574 6.614 4.181 1.00 0.00 N ATOM 255 CA ASP A 16 5.434 7.074 5.275 1.00 0.00 C ATOM 256 C ASP A 16 6.836 6.469 5.205 1.00 0.00 C ATOM 257 O ASP A 16 7.812 7.208 5.305 1.00 0.00 O ATOM 258 CB ASP A 16 4.699 6.706 6.582 1.00 0.00 C ATOM 259 CG ASP A 16 5.485 6.591 7.895 1.00 0.00 C ATOM 260 OD1 ASP A 16 6.531 5.907 7.946 1.00 0.00 O ATOM 261 OD2 ASP A 16 4.878 6.836 8.966 1.00 0.00 O ATOM 0 H ASP A 16 3.698 6.215 4.518 1.00 0.00 H new ATOM 0 HA ASP A 16 5.599 8.150 5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.917 7.450 6.736 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.201 5.750 6.417 1.00 0.00 H new ATOM 266 N MET A 17 6.948 5.148 5.038 1.00 0.00 N ATOM 267 CA MET A 17 8.244 4.487 5.090 1.00 0.00 C ATOM 268 C MET A 17 9.017 4.639 3.789 1.00 0.00 C ATOM 269 O MET A 17 10.225 4.847 3.845 1.00 0.00 O ATOM 270 CB MET A 17 8.100 3.000 5.422 1.00 0.00 C ATOM 271 CG MET A 17 7.654 2.776 6.871 1.00 0.00 C ATOM 272 SD MET A 17 7.676 1.050 7.453 1.00 0.00 S ATOM 273 CE MET A 17 7.109 0.148 5.982 1.00 0.00 C ATOM 0 H MET A 17 6.160 4.524 4.867 1.00 0.00 H new ATOM 0 HA MET A 17 8.805 4.979 5.884 1.00 0.00 H new ATOM 0 HB2 MET A 17 7.376 2.546 4.745 1.00 0.00 H new ATOM 0 HB3 MET A 17 9.052 2.497 5.254 1.00 0.00 H new ATOM 0 HG2 MET A 17 8.296 3.367 7.524 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.642 3.164 6.983 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.872 -0.880 6.255 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.218 0.631 5.580 1.00 0.00 H new ATOM 0 HE3 MET A 17 7.896 0.151 5.227 1.00 0.00 H new ATOM 283 N VAL A 18 8.385 4.366 2.642 1.00 0.00 N ATOM 284 CA VAL A 18 9.058 4.510 1.355 1.00 0.00 C ATOM 285 C VAL A 18 9.474 5.975 1.139 1.00 0.00 C ATOM 286 O VAL A 18 10.510 6.234 0.532 1.00 0.00 O ATOM 287 CB VAL A 18 8.205 3.898 0.227 1.00 0.00 C ATOM 288 CG1 VAL A 18 7.087 4.805 -0.294 1.00 0.00 C ATOM 289 CG2 VAL A 18 9.072 3.353 -0.909 1.00 0.00 C ATOM 0 H VAL A 18 7.418 4.047 2.582 1.00 0.00 H new ATOM 0 HA VAL A 18 9.987 3.940 1.343 1.00 0.00 H new ATOM 0 HB VAL A 18 7.688 3.059 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.541 4.291 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.405 5.046 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.519 5.724 -0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.433 2.930 -1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.668 4.162 -1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.734 2.578 -0.522 1.00 0.00 H new ATOM 299 N GLY A 19 8.672 6.917 1.649 1.00 0.00 N ATOM 300 CA GLY A 19 8.923 8.341 1.582 1.00 0.00 C ATOM 301 C GLY A 19 8.559 8.907 0.202 1.00 0.00 C ATOM 302 O GLY A 19 7.864 8.255 -0.586 1.00 0.00 O ATOM 0 H GLY A 19 7.804 6.690 2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.343 8.851 2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.974 8.537 1.792 1.00 0.00 H new ATOM 306 N PRO A 20 8.945 10.162 -0.086 1.00 0.00 N ATOM 307 CA PRO A 20 8.667 10.799 -1.354 1.00 0.00 C ATOM 308 C PRO A 20 9.563 10.218 -2.448 1.00 0.00 C ATOM 309 O PRO A 20 10.601 9.613 -2.198 1.00 0.00 O ATOM 310 CB PRO A 20 8.944 12.288 -1.125 1.00 0.00 C ATOM 311 CG PRO A 20 10.096 12.256 -0.124 1.00 0.00 C ATOM 312 CD PRO A 20 9.763 11.035 0.732 1.00 0.00 C ATOM 0 HA PRO A 20 7.642 10.637 -1.686 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.222 12.796 -2.048 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.073 12.807 -0.725 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.061 12.152 -0.620 1.00 0.00 H new ATOM 0 HG3 PRO A 20 10.141 13.168 0.471 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.673 10.526 1.050 1.00 0.00 H new ATOM 0 HD3 PRO A 20 9.230 11.330 1.636 1.00 0.00 H new ATOM 320 N GLN A 21 9.145 10.506 -3.674 1.00 0.00 N ATOM 321 CA GLN A 21 9.709 10.057 -4.950 1.00 0.00 C ATOM 322 C GLN A 21 10.274 8.619 -4.891 1.00 0.00 C ATOM 323 O GLN A 21 11.455 8.412 -5.179 1.00 0.00 O ATOM 324 CB GLN A 21 10.758 11.076 -5.440 1.00 0.00 C ATOM 325 CG GLN A 21 10.218 12.514 -5.537 1.00 0.00 C ATOM 326 CD GLN A 21 11.195 13.476 -6.213 1.00 0.00 C ATOM 327 OE1 GLN A 21 10.799 14.289 -7.034 1.00 0.00 O ATOM 328 NE2 GLN A 21 12.475 13.438 -5.876 1.00 0.00 N ATOM 0 H GLN A 21 8.336 11.110 -3.818 1.00 0.00 H new ATOM 0 HA GLN A 21 8.897 10.012 -5.676 1.00 0.00 H new ATOM 0 HB2 GLN A 21 11.611 11.062 -4.762 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.124 10.767 -6.419 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.281 12.507 -6.093 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.992 12.879 -4.535 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.802 12.758 -5.190 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.134 14.089 -6.302 1.00 0.00 H new ATOM 337 N PRO A 22 9.454 7.606 -4.552 1.00 0.00 N ATOM 338 CA PRO A 22 9.902 6.223 -4.528 1.00 0.00 C ATOM 339 C PRO A 22 9.937 5.655 -5.957 1.00 0.00 C ATOM 340 O PRO A 22 9.660 6.348 -6.937 1.00 0.00 O ATOM 341 CB PRO A 22 8.872 5.527 -3.646 1.00 0.00 C ATOM 342 CG PRO A 22 7.578 6.209 -4.069 1.00 0.00 C ATOM 343 CD PRO A 22 8.030 7.663 -4.234 1.00 0.00 C ATOM 0 HA PRO A 22 10.913 6.091 -4.142 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.843 4.452 -3.823 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.080 5.670 -2.586 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.182 5.796 -4.997 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.797 6.107 -3.316 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.472 8.158 -5.029 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.856 8.232 -3.321 1.00 0.00 H new ATOM 351 N ASN A 23 10.181 4.351 -6.079 1.00 0.00 N ATOM 352 CA ASN A 23 10.131 3.618 -7.338 1.00 0.00 C ATOM 353 C ASN A 23 9.449 2.277 -7.078 1.00 0.00 C ATOM 354 O ASN A 23 9.387 1.812 -5.939 1.00 0.00 O ATOM 355 CB ASN A 23 11.532 3.429 -7.941 1.00 0.00 C ATOM 356 CG ASN A 23 12.442 2.613 -7.034 1.00 0.00 C ATOM 357 OD1 ASN A 23 12.243 1.415 -6.850 1.00 0.00 O ATOM 358 ND2 ASN A 23 13.416 3.250 -6.407 1.00 0.00 N ATOM 0 H ASN A 23 10.425 3.762 -5.283 1.00 0.00 H new ATOM 0 HA ASN A 23 9.560 4.188 -8.071 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.446 2.933 -8.908 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.983 4.405 -8.122 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.019 2.746 -5.756 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.565 4.245 -6.574 1.00 0.00 H new ATOM 365 N GLU A 24 8.851 1.726 -8.132 1.00 0.00 N ATOM 366 CA GLU A 24 8.075 0.490 -8.163 1.00 0.00 C ATOM 367 C GLU A 24 8.660 -0.674 -7.353 1.00 0.00 C ATOM 368 O GLU A 24 7.907 -1.350 -6.643 1.00 0.00 O ATOM 369 CB GLU A 24 7.835 0.137 -9.638 1.00 0.00 C ATOM 370 CG GLU A 24 7.138 -1.214 -9.856 1.00 0.00 C ATOM 371 CD GLU A 24 6.254 -1.175 -11.100 1.00 0.00 C ATOM 372 OE1 GLU A 24 6.714 -1.484 -12.216 1.00 0.00 O ATOM 373 OE2 GLU A 24 5.061 -0.818 -10.969 1.00 0.00 O ATOM 0 H GLU A 24 8.900 2.164 -9.052 1.00 0.00 H new ATOM 0 HA GLU A 24 7.130 0.667 -7.649 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.232 0.922 -10.095 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.793 0.127 -10.158 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.885 -2.001 -9.960 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.534 -1.461 -8.983 1.00 0.00 H new ATOM 380 N ASP A 25 9.980 -0.890 -7.401 1.00 0.00 N ATOM 381 CA ASP A 25 10.584 -1.973 -6.624 1.00 0.00 C ATOM 382 C ASP A 25 10.563 -1.594 -5.157 1.00 0.00 C ATOM 383 O ASP A 25 10.033 -2.341 -4.343 1.00 0.00 O ATOM 384 CB ASP A 25 12.019 -2.314 -7.026 1.00 0.00 C ATOM 385 CG ASP A 25 12.523 -3.381 -6.044 1.00 0.00 C ATOM 386 OD1 ASP A 25 12.068 -4.538 -6.172 1.00 0.00 O ATOM 387 OD2 ASP A 25 13.269 -3.007 -5.111 1.00 0.00 O ATOM 0 H ASP A 25 10.636 -0.342 -7.957 1.00 0.00 H new ATOM 0 HA ASP A 25 9.989 -2.864 -6.826 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.054 -2.686 -8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.651 -1.427 -6.988 1.00 0.00 H new ATOM 392 N THR A 26 11.060 -0.401 -4.826 1.00 0.00 N ATOM 393 CA THR A 26 11.164 0.055 -3.447 1.00 0.00 C ATOM 394 C THR A 26 9.774 0.019 -2.792 1.00 0.00 C ATOM 395 O THR A 26 9.652 -0.379 -1.637 1.00 0.00 O ATOM 396 CB THR A 26 11.828 1.441 -3.392 1.00 0.00 C ATOM 397 OG1 THR A 26 13.009 1.449 -4.170 1.00 0.00 O ATOM 398 CG2 THR A 26 12.294 1.793 -1.977 1.00 0.00 C ATOM 0 H THR A 26 11.401 0.274 -5.511 1.00 0.00 H new ATOM 0 HA THR A 26 11.807 -0.613 -2.874 1.00 0.00 H new ATOM 0 HB THR A 26 11.078 2.146 -3.751 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.581 2.194 -3.889 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.757 2.780 -1.981 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.438 1.797 -1.302 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.019 1.053 -1.638 1.00 0.00 H new ATOM 406 N VAL A 27 8.708 0.354 -3.527 1.00 0.00 N ATOM 407 CA VAL A 27 7.332 0.232 -3.056 1.00 0.00 C ATOM 408 C VAL A 27 7.003 -1.244 -2.792 1.00 0.00 C ATOM 409 O VAL A 27 6.441 -1.566 -1.745 1.00 0.00 O ATOM 410 CB VAL A 27 6.374 0.877 -4.085 1.00 0.00 C ATOM 411 CG1 VAL A 27 4.896 0.556 -3.809 1.00 0.00 C ATOM 412 CG2 VAL A 27 6.543 2.403 -4.101 1.00 0.00 C ATOM 0 H VAL A 27 8.782 0.721 -4.476 1.00 0.00 H new ATOM 0 HA VAL A 27 7.206 0.764 -2.113 1.00 0.00 H new ATOM 0 HB VAL A 27 6.643 0.451 -5.051 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.272 1.036 -4.563 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.745 -0.523 -3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.621 0.927 -2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.860 2.837 -4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.320 2.804 -3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.569 2.653 -4.371 1.00 0.00 H new ATOM 422 N THR A 28 7.329 -2.143 -3.718 1.00 0.00 N ATOM 423 CA THR A 28 7.090 -3.575 -3.604 1.00 0.00 C ATOM 424 C THR A 28 7.814 -4.173 -2.385 1.00 0.00 C ATOM 425 O THR A 28 7.175 -4.863 -1.577 1.00 0.00 O ATOM 426 CB THR A 28 7.470 -4.244 -4.938 1.00 0.00 C ATOM 427 OG1 THR A 28 6.678 -3.683 -5.969 1.00 0.00 O ATOM 428 CG2 THR A 28 7.223 -5.754 -4.922 1.00 0.00 C ATOM 0 H THR A 28 7.781 -1.884 -4.595 1.00 0.00 H new ATOM 0 HA THR A 28 6.033 -3.767 -3.421 1.00 0.00 H new ATOM 0 HB THR A 28 8.534 -4.072 -5.101 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.079 -2.840 -6.268 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.506 -6.179 -5.885 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.820 -6.212 -4.133 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.167 -5.948 -4.737 1.00 0.00 H new ATOM 436 N GLN A 29 9.111 -3.903 -2.200 1.00 0.00 N ATOM 437 CA GLN A 29 9.846 -4.433 -1.059 1.00 0.00 C ATOM 438 C GLN A 29 9.340 -3.771 0.226 1.00 0.00 C ATOM 439 O GLN A 29 8.966 -4.500 1.152 1.00 0.00 O ATOM 440 CB GLN A 29 11.375 -4.352 -1.233 1.00 0.00 C ATOM 441 CG GLN A 29 11.950 -3.004 -1.673 1.00 0.00 C ATOM 442 CD GLN A 29 13.459 -2.934 -1.459 1.00 0.00 C ATOM 443 OE1 GLN A 29 13.917 -2.855 -0.324 1.00 0.00 O ATOM 444 NE2 GLN A 29 14.250 -2.951 -2.516 1.00 0.00 N ATOM 0 H GLN A 29 9.667 -3.322 -2.827 1.00 0.00 H new ATOM 0 HA GLN A 29 9.648 -5.502 -0.987 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.839 -4.626 -0.286 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.674 -5.103 -1.964 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.724 -2.839 -2.727 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.466 -2.203 -1.114 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.849 -3.017 -3.452 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.262 -2.898 -2.397 1.00 0.00 H new ATOM 453 N ALA A 30 9.183 -2.439 0.259 1.00 0.00 N ATOM 454 CA ALA A 30 8.660 -1.725 1.419 1.00 0.00 C ATOM 455 C ALA A 30 7.301 -2.283 1.822 1.00 0.00 C ATOM 456 O ALA A 30 7.046 -2.410 3.013 1.00 0.00 O ATOM 457 CB ALA A 30 8.560 -0.216 1.163 1.00 0.00 C ATOM 0 H ALA A 30 9.418 -1.830 -0.525 1.00 0.00 H new ATOM 0 HA ALA A 30 9.363 -1.876 2.238 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.166 0.278 2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.549 0.181 0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.893 -0.033 0.320 1.00 0.00 H new ATOM 463 N ALA A 31 6.444 -2.660 0.870 1.00 0.00 N ATOM 464 CA ALA A 31 5.169 -3.320 1.105 1.00 0.00 C ATOM 465 C ALA A 31 5.380 -4.693 1.743 1.00 0.00 C ATOM 466 O ALA A 31 4.658 -5.052 2.674 1.00 0.00 O ATOM 467 CB ALA A 31 4.340 -3.434 -0.180 1.00 0.00 C ATOM 0 H ALA A 31 6.631 -2.506 -0.121 1.00 0.00 H new ATOM 0 HA ALA A 31 4.603 -2.700 1.800 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.396 -3.933 0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.141 -2.437 -0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.893 -4.013 -0.920 1.00 0.00 H new ATOM 473 N SER A 32 6.279 -5.532 1.225 1.00 0.00 N ATOM 474 CA SER A 32 6.525 -6.824 1.862 1.00 0.00 C ATOM 475 C SER A 32 6.823 -6.663 3.366 1.00 0.00 C ATOM 476 O SER A 32 6.362 -7.496 4.159 1.00 0.00 O ATOM 477 CB SER A 32 7.592 -7.603 1.079 1.00 0.00 C ATOM 478 OG SER A 32 8.914 -7.215 1.369 1.00 0.00 O ATOM 0 H SER A 32 6.834 -5.347 0.390 1.00 0.00 H new ATOM 0 HA SER A 32 5.619 -7.430 1.824 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.481 -8.666 1.293 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.412 -7.473 0.012 1.00 0.00 H new ATOM 0 HG SER A 32 8.966 -6.237 1.414 1.00 0.00 H new ATOM 484 N GLN A 33 7.441 -5.543 3.770 1.00 0.00 N ATOM 485 CA GLN A 33 7.667 -5.192 5.165 1.00 0.00 C ATOM 486 C GLN A 33 6.495 -4.398 5.744 1.00 0.00 C ATOM 487 O GLN A 33 6.296 -4.495 6.950 1.00 0.00 O ATOM 488 CB GLN A 33 8.982 -4.408 5.351 1.00 0.00 C ATOM 489 CG GLN A 33 10.232 -5.302 5.402 1.00 0.00 C ATOM 490 CD GLN A 33 10.430 -6.091 4.117 1.00 0.00 C ATOM 491 OE1 GLN A 33 10.877 -5.554 3.122 1.00 0.00 O ATOM 492 NE2 GLN A 33 10.035 -7.355 4.086 1.00 0.00 N ATOM 0 H GLN A 33 7.802 -4.847 3.117 1.00 0.00 H new ATOM 0 HA GLN A 33 7.749 -6.131 5.713 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.089 -3.695 4.533 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.922 -3.829 6.273 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.111 -4.684 5.585 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.148 -5.993 6.241 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.662 -7.794 4.928 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.104 -7.890 3.220 1.00 0.00 H new ATOM 501 N VAL A 34 5.709 -3.639 4.965 1.00 0.00 N ATOM 502 CA VAL A 34 4.623 -2.808 5.492 1.00 0.00 C ATOM 503 C VAL A 34 3.657 -3.787 6.157 1.00 0.00 C ATOM 504 O VAL A 34 3.174 -3.548 7.260 1.00 0.00 O ATOM 505 CB VAL A 34 3.886 -1.950 4.426 1.00 0.00 C ATOM 506 CG1 VAL A 34 2.772 -2.576 3.567 1.00 0.00 C ATOM 507 CG2 VAL A 34 3.300 -0.692 5.028 1.00 0.00 C ATOM 0 H VAL A 34 5.811 -3.586 3.951 1.00 0.00 H new ATOM 0 HA VAL A 34 5.035 -2.069 6.179 1.00 0.00 H new ATOM 0 HB VAL A 34 4.717 -1.784 3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.376 -1.826 2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.178 -3.411 2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.971 -2.934 4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.793 -0.119 4.252 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.585 -0.960 5.806 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.099 -0.089 5.461 1.00 0.00 H new ATOM 517 N CYS A 35 3.440 -4.931 5.496 1.00 0.00 N ATOM 518 CA CYS A 35 2.566 -5.981 5.949 1.00 0.00 C ATOM 519 C CYS A 35 3.154 -6.650 7.182 1.00 0.00 C ATOM 520 O CYS A 35 2.424 -6.832 8.149 1.00 0.00 O ATOM 521 CB CYS A 35 2.377 -7.020 4.840 1.00 0.00 C ATOM 522 SG CYS A 35 1.779 -6.430 3.230 1.00 0.00 S ATOM 0 H CYS A 35 3.890 -5.142 4.605 1.00 0.00 H new ATOM 0 HA CYS A 35 1.598 -5.549 6.203 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.333 -7.520 4.681 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.679 -7.775 5.202 1.00 0.00 H new ATOM 527 N ASP A 36 4.404 -7.136 7.140 1.00 0.00 N ATOM 528 CA ASP A 36 5.003 -7.664 8.372 1.00 0.00 C ATOM 529 C ASP A 36 4.940 -6.712 9.571 1.00 0.00 C ATOM 530 O ASP A 36 4.599 -7.118 10.683 1.00 0.00 O ATOM 531 CB ASP A 36 6.417 -8.217 8.213 1.00 0.00 C ATOM 532 CG ASP A 36 6.629 -9.154 9.406 1.00 0.00 C ATOM 533 OD1 ASP A 36 6.150 -10.306 9.286 1.00 0.00 O ATOM 534 OD2 ASP A 36 7.096 -8.704 10.475 1.00 0.00 O ATOM 0 H ASP A 36 4.995 -7.174 6.309 1.00 0.00 H new ATOM 0 HA ASP A 36 4.351 -8.509 8.592 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.525 -8.753 7.270 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.154 -7.414 8.209 1.00 0.00 H new ATOM 539 N LYS A 37 5.219 -5.427 9.348 1.00 0.00 N ATOM 540 CA LYS A 37 5.337 -4.429 10.406 1.00 0.00 C ATOM 541 C LYS A 37 3.941 -4.120 10.932 1.00 0.00 C ATOM 542 O LYS A 37 3.765 -4.067 12.148 1.00 0.00 O ATOM 543 CB LYS A 37 6.081 -3.199 9.843 1.00 0.00 C ATOM 544 CG LYS A 37 6.692 -2.302 10.931 1.00 0.00 C ATOM 545 CD LYS A 37 7.558 -1.155 10.369 1.00 0.00 C ATOM 546 CE LYS A 37 8.780 -1.647 9.564 1.00 0.00 C ATOM 547 NZ LYS A 37 9.727 -0.560 9.204 1.00 0.00 N ATOM 0 H LYS A 37 5.371 -5.047 8.414 1.00 0.00 H new ATOM 0 HA LYS A 37 5.923 -4.788 11.252 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.873 -3.538 9.175 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.389 -2.609 9.243 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.889 -1.878 11.534 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.301 -2.914 11.596 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.941 -0.524 9.729 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.903 -0.532 11.194 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.309 -2.402 10.146 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.433 -2.133 8.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.571 -0.969 8.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.267 0.096 8.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.007 -0.045 10.063 1.00 0.00 H new ATOM 561 N LEU A 38 2.948 -3.947 10.060 1.00 0.00 N ATOM 562 CA LEU A 38 1.563 -3.793 10.475 1.00 0.00 C ATOM 563 C LEU A 38 1.057 -5.214 10.734 1.00 0.00 C ATOM 564 O LEU A 38 0.294 -5.758 9.927 1.00 0.00 O ATOM 565 CB LEU A 38 0.723 -3.107 9.377 1.00 0.00 C ATOM 566 CG LEU A 38 1.085 -1.644 9.072 1.00 0.00 C ATOM 567 CD1 LEU A 38 0.279 -1.197 7.849 1.00 0.00 C ATOM 568 CD2 LEU A 38 0.774 -0.716 10.253 1.00 0.00 C ATOM 0 H LEU A 38 3.085 -3.910 9.050 1.00 0.00 H new ATOM 0 HA LEU A 38 1.480 -3.162 11.360 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.820 -3.685 8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.326 -3.148 9.670 1.00 0.00 H new ATOM 0 HG LEU A 38 2.157 -1.583 8.883 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.520 -0.160 7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.529 -1.830 6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.786 -1.282 8.064 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.046 0.307 9.993 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.291 -0.762 10.481 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.346 -1.033 11.125 1.00 0.00 H new ATOM 580 N LYS A 39 1.392 -5.814 11.886 1.00 0.00 N ATOM 581 CA LYS A 39 1.000 -7.209 12.098 1.00 0.00 C ATOM 582 C LYS A 39 -0.477 -7.250 12.473 1.00 0.00 C ATOM 583 O LYS A 39 -1.080 -6.220 12.762 1.00 0.00 O ATOM 584 CB LYS A 39 2.009 -8.063 12.891 1.00 0.00 C ATOM 585 CG LYS A 39 2.585 -7.509 14.208 1.00 0.00 C ATOM 586 CD LYS A 39 4.056 -7.072 14.033 1.00 0.00 C ATOM 587 CE LYS A 39 5.013 -8.250 13.728 1.00 0.00 C ATOM 588 NZ LYS A 39 6.146 -7.852 12.859 1.00 0.00 N ATOM 0 H LYS A 39 1.909 -5.378 12.650 1.00 0.00 H new ATOM 0 HA LYS A 39 1.071 -7.771 11.167 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.528 -9.015 13.117 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.848 -8.279 12.230 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.988 -6.660 14.541 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.519 -8.270 14.986 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.118 -6.344 13.224 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.389 -6.569 14.941 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.401 -8.650 14.665 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.454 -9.052 13.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.543 -8.696 12.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.810 -7.187 12.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.881 -7.393 13.435 1.00 0.00 H new ATOM 602 N ILE A 40 -1.080 -8.437 12.345 1.00 0.00 N ATOM 603 CA ILE A 40 -2.514 -8.732 12.487 1.00 0.00 C ATOM 604 C ILE A 40 -3.111 -8.328 11.127 1.00 0.00 C ATOM 605 O ILE A 40 -3.617 -9.176 10.395 1.00 0.00 O ATOM 606 CB ILE A 40 -3.226 -8.069 13.700 1.00 0.00 C ATOM 607 CG1 ILE A 40 -2.546 -8.394 15.050 1.00 0.00 C ATOM 608 CG2 ILE A 40 -4.719 -8.448 13.731 1.00 0.00 C ATOM 609 CD1 ILE A 40 -2.440 -9.887 15.394 1.00 0.00 C ATOM 0 H ILE A 40 -0.544 -9.276 12.124 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.667 -9.785 12.724 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.139 -6.991 13.562 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.543 -7.968 15.043 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.099 -7.894 15.845 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.197 -7.973 14.588 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.200 -8.109 12.813 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.818 -9.530 13.814 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.948 -10.004 16.360 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.439 -10.321 15.441 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.858 -10.397 14.626 1.00 0.00 H new ATOM 621 N LEU A 41 -2.849 -7.098 10.667 1.00 0.00 N ATOM 622 CA LEU A 41 -3.284 -6.590 9.365 1.00 0.00 C ATOM 623 C LEU A 41 -2.311 -7.025 8.241 1.00 0.00 C ATOM 624 O LEU A 41 -2.532 -6.750 7.059 1.00 0.00 O ATOM 625 CB LEU A 41 -3.322 -5.057 9.541 1.00 0.00 C ATOM 626 CG LEU A 41 -3.866 -4.212 8.378 1.00 0.00 C ATOM 627 CD1 LEU A 41 -5.289 -4.615 7.978 1.00 0.00 C ATOM 628 CD2 LEU A 41 -3.874 -2.739 8.812 1.00 0.00 C ATOM 0 H LEU A 41 -2.316 -6.414 11.205 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.255 -6.984 9.065 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.922 -4.837 10.424 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.307 -4.720 9.753 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.222 -4.375 7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.626 -3.988 7.153 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.297 -5.660 7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.957 -4.484 8.829 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.257 -2.122 7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.511 -2.621 9.688 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.859 -2.426 9.057 1.00 0.00 H new ATOM 640 N ARG A 42 -1.363 -7.905 8.586 1.00 0.00 N ATOM 641 CA ARG A 42 -0.383 -8.589 7.741 1.00 0.00 C ATOM 642 C ARG A 42 -1.110 -9.402 6.681 1.00 0.00 C ATOM 643 O ARG A 42 -0.721 -9.356 5.516 1.00 0.00 O ATOM 644 CB ARG A 42 0.453 -9.484 8.683 1.00 0.00 C ATOM 645 CG ARG A 42 1.683 -10.234 8.135 1.00 0.00 C ATOM 646 CD ARG A 42 2.283 -11.049 9.304 1.00 0.00 C ATOM 647 NE ARG A 42 3.658 -11.536 9.077 1.00 0.00 N ATOM 648 CZ ARG A 42 4.152 -12.768 9.279 1.00 0.00 C ATOM 649 NH1 ARG A 42 3.355 -13.825 9.447 1.00 0.00 N ATOM 650 NH2 ARG A 42 5.468 -12.922 9.317 1.00 0.00 N ATOM 0 H ARG A 42 -1.255 -8.181 9.562 1.00 0.00 H new ATOM 0 HA ARG A 42 0.270 -7.893 7.214 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.794 -8.858 9.508 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.221 -10.229 9.106 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.398 -10.892 7.314 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.417 -9.532 7.740 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.275 -10.430 10.201 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.637 -11.905 9.501 1.00 0.00 H new ATOM 0 HE ARG A 42 4.319 -10.846 8.720 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.342 -13.709 9.424 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.759 -14.749 9.599 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.080 -12.115 9.194 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.869 -13.847 9.469 1.00 0.00 H new ATOM 664 N GLY A 43 -2.157 -10.130 7.079 1.00 0.00 N ATOM 665 CA GLY A 43 -2.932 -10.977 6.186 1.00 0.00 C ATOM 666 C GLY A 43 -3.567 -10.151 5.075 1.00 0.00 C ATOM 667 O GLY A 43 -3.320 -10.409 3.896 1.00 0.00 O ATOM 0 H GLY A 43 -2.489 -10.144 8.043 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.288 -11.743 5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.708 -11.494 6.750 1.00 0.00 H new ATOM 671 N LEU A 44 -4.370 -9.145 5.448 1.00 0.00 N ATOM 672 CA LEU A 44 -5.114 -8.346 4.481 1.00 0.00 C ATOM 673 C LEU A 44 -4.145 -7.641 3.538 1.00 0.00 C ATOM 674 O LEU A 44 -4.338 -7.679 2.326 1.00 0.00 O ATOM 675 CB LEU A 44 -6.034 -7.336 5.189 1.00 0.00 C ATOM 676 CG LEU A 44 -7.167 -6.851 4.265 1.00 0.00 C ATOM 677 CD1 LEU A 44 -8.252 -7.928 4.131 1.00 0.00 C ATOM 678 CD2 LEU A 44 -7.800 -5.572 4.821 1.00 0.00 C ATOM 0 H LEU A 44 -4.517 -8.869 6.419 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.750 -9.009 3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.463 -7.796 6.079 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.446 -6.481 5.524 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.736 -6.648 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.044 -7.567 3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.816 -8.834 3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.668 -8.149 5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.599 -5.243 4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.210 -5.770 5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.042 -4.792 4.892 1.00 0.00 H new ATOM 690 N CYS A 45 -3.083 -7.050 4.090 1.00 0.00 N ATOM 691 CA CYS A 45 -1.999 -6.443 3.353 1.00 0.00 C ATOM 692 C CYS A 45 -1.427 -7.401 2.306 1.00 0.00 C ATOM 693 O CYS A 45 -1.505 -7.097 1.117 1.00 0.00 O ATOM 694 CB CYS A 45 -0.970 -5.959 4.372 1.00 0.00 C ATOM 695 SG CYS A 45 0.398 -5.022 3.685 1.00 0.00 S ATOM 0 H CYS A 45 -2.960 -6.985 5.100 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.348 -5.588 2.774 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.478 -5.341 5.113 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.569 -6.824 4.900 1.00 0.00 H new ATOM 700 N LYS A 46 -0.890 -8.568 2.696 1.00 0.00 N ATOM 701 CA LYS A 46 -0.309 -9.498 1.721 1.00 0.00 C ATOM 702 C LYS A 46 -1.347 -9.913 0.674 1.00 0.00 C ATOM 703 O LYS A 46 -0.977 -10.018 -0.496 1.00 0.00 O ATOM 704 CB LYS A 46 0.380 -10.716 2.374 1.00 0.00 C ATOM 705 CG LYS A 46 1.618 -10.410 3.249 1.00 0.00 C ATOM 706 CD LYS A 46 2.802 -9.705 2.557 1.00 0.00 C ATOM 707 CE LYS A 46 3.639 -10.573 1.601 1.00 0.00 C ATOM 708 NZ LYS A 46 4.782 -11.244 2.271 1.00 0.00 N ATOM 0 H LYS A 46 -0.847 -8.885 3.665 1.00 0.00 H new ATOM 0 HA LYS A 46 0.487 -8.958 1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.354 -11.237 2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.680 -11.405 1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.297 -9.791 4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.979 -11.350 3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.415 -8.853 1.998 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.463 -9.307 3.327 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.996 -11.329 1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.016 -9.950 0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.306 -11.813 1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.415 -10.527 2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.426 -11.863 3.027 1.00 0.00 H new ATOM 722 N LYS A 47 -2.619 -10.135 1.046 1.00 0.00 N ATOM 723 CA LYS A 47 -3.666 -10.408 0.058 1.00 0.00 C ATOM 724 C LYS A 47 -3.743 -9.261 -0.936 1.00 0.00 C ATOM 725 O LYS A 47 -3.693 -9.540 -2.128 1.00 0.00 O ATOM 726 CB LYS A 47 -5.033 -10.705 0.710 1.00 0.00 C ATOM 727 CG LYS A 47 -6.148 -11.096 -0.294 1.00 0.00 C ATOM 728 CD LYS A 47 -6.933 -9.913 -0.905 1.00 0.00 C ATOM 729 CE LYS A 47 -8.172 -10.348 -1.714 1.00 0.00 C ATOM 730 NZ LYS A 47 -7.860 -10.910 -3.053 1.00 0.00 N ATOM 0 H LYS A 47 -2.941 -10.130 2.014 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.397 -11.317 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.910 -11.513 1.431 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.355 -9.826 1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.699 -11.670 -1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.853 -11.756 0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.249 -9.244 -0.104 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.268 -9.342 -1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.724 -11.092 -1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.831 -9.489 -1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.715 -11.346 -3.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.532 -10.149 -3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.114 -11.629 -2.962 1.00 0.00 H new ATOM 744 N ILE A 48 -3.913 -8.015 -0.485 1.00 0.00 N ATOM 745 CA ILE A 48 -4.065 -6.850 -1.358 1.00 0.00 C ATOM 746 C ILE A 48 -2.878 -6.792 -2.321 1.00 0.00 C ATOM 747 O ILE A 48 -3.106 -6.706 -3.525 1.00 0.00 O ATOM 748 CB ILE A 48 -4.279 -5.559 -0.524 1.00 0.00 C ATOM 749 CG1 ILE A 48 -5.695 -5.585 0.104 1.00 0.00 C ATOM 750 CG2 ILE A 48 -4.118 -4.284 -1.378 1.00 0.00 C ATOM 751 CD1 ILE A 48 -5.918 -4.532 1.198 1.00 0.00 C ATOM 0 H ILE A 48 -3.949 -7.785 0.508 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.963 -6.940 -1.969 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.516 -5.534 0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.433 -5.435 -0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.875 -6.574 0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.276 -3.405 -0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.113 -4.253 -1.800 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.850 -4.292 -2.185 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.933 -4.618 1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.206 -4.693 2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.773 -3.536 0.779 1.00 0.00 H new ATOM 763 N MET A 49 -1.645 -6.928 -1.822 1.00 0.00 N ATOM 764 CA MET A 49 -0.447 -6.902 -2.659 1.00 0.00 C ATOM 765 C MET A 49 -0.508 -8.015 -3.709 1.00 0.00 C ATOM 766 O MET A 49 -0.376 -7.724 -4.890 1.00 0.00 O ATOM 767 CB MET A 49 0.832 -6.990 -1.804 1.00 0.00 C ATOM 768 CG MET A 49 0.975 -5.852 -0.782 1.00 0.00 C ATOM 769 SD MET A 49 0.674 -4.179 -1.410 1.00 0.00 S ATOM 770 CE MET A 49 0.362 -3.308 0.150 1.00 0.00 C ATOM 0 H MET A 49 -1.453 -7.059 -0.829 1.00 0.00 H new ATOM 0 HA MET A 49 -0.412 -5.948 -3.185 1.00 0.00 H new ATOM 0 HB2 MET A 49 0.839 -7.943 -1.276 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.700 -6.984 -2.464 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.285 -6.040 0.040 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.982 -5.887 -0.367 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.491 -2.236 0.000 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.657 -3.508 0.481 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.064 -3.656 0.908 1.00 0.00 H new ATOM 780 N ARG A 50 -0.752 -9.283 -3.346 1.00 0.00 N ATOM 781 CA ARG A 50 -0.787 -10.345 -4.365 1.00 0.00 C ATOM 782 C ARG A 50 -1.914 -10.118 -5.369 1.00 0.00 C ATOM 783 O ARG A 50 -1.770 -10.471 -6.538 1.00 0.00 O ATOM 784 CB ARG A 50 -0.905 -11.731 -3.707 1.00 0.00 C ATOM 785 CG ARG A 50 -0.450 -12.877 -4.640 1.00 0.00 C ATOM 786 CD ARG A 50 -1.577 -13.498 -5.487 1.00 0.00 C ATOM 787 NE ARG A 50 -1.052 -14.309 -6.604 1.00 0.00 N ATOM 788 CZ ARG A 50 -0.803 -13.894 -7.858 1.00 0.00 C ATOM 789 NH1 ARG A 50 -0.977 -12.621 -8.217 1.00 0.00 N ATOM 790 NH2 ARG A 50 -0.372 -14.771 -8.764 1.00 0.00 N ATOM 0 H ARG A 50 -0.923 -9.593 -2.389 1.00 0.00 H new ATOM 0 HA ARG A 50 0.154 -10.309 -4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.305 -11.749 -2.797 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.940 -11.900 -3.409 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.323 -12.499 -5.309 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.007 -13.661 -4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.206 -14.122 -4.851 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.211 -12.705 -5.883 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.857 -15.290 -6.402 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.306 -11.939 -7.534 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.781 -12.330 -9.175 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.234 -15.747 -8.503 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.180 -14.466 -9.718 1.00 0.00 H new ATOM 804 N SER A 51 -3.046 -9.616 -4.889 1.00 0.00 N ATOM 805 CA SER A 51 -4.264 -9.412 -5.655 1.00 0.00 C ATOM 806 C SER A 51 -4.085 -8.302 -6.693 1.00 0.00 C ATOM 807 O SER A 51 -4.468 -8.496 -7.841 1.00 0.00 O ATOM 808 CB SER A 51 -5.398 -9.078 -4.669 1.00 0.00 C ATOM 809 OG SER A 51 -6.706 -9.296 -5.166 1.00 0.00 O ATOM 0 H SER A 51 -3.141 -9.329 -3.915 1.00 0.00 H new ATOM 0 HA SER A 51 -4.511 -10.318 -6.208 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.264 -9.676 -3.768 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.307 -8.033 -4.374 1.00 0.00 H new ATOM 0 HG SER A 51 -7.108 -8.438 -5.417 1.00 0.00 H new ATOM 815 N PHE A 52 -3.512 -7.158 -6.309 1.00 0.00 N ATOM 816 CA PHE A 52 -3.407 -5.974 -7.153 1.00 0.00 C ATOM 817 C PHE A 52 -2.021 -5.335 -6.987 1.00 0.00 C ATOM 818 O PHE A 52 -1.924 -4.138 -6.725 1.00 0.00 O ATOM 819 CB PHE A 52 -4.535 -4.994 -6.751 1.00 0.00 C ATOM 820 CG PHE A 52 -5.930 -5.565 -6.552 1.00 0.00 C ATOM 821 CD1 PHE A 52 -6.581 -6.250 -7.596 1.00 0.00 C ATOM 822 CD2 PHE A 52 -6.604 -5.359 -5.331 1.00 0.00 C ATOM 823 CE1 PHE A 52 -7.892 -6.726 -7.420 1.00 0.00 C ATOM 824 CE2 PHE A 52 -7.921 -5.821 -5.161 1.00 0.00 C ATOM 825 CZ PHE A 52 -8.567 -6.502 -6.208 1.00 0.00 C ATOM 0 H PHE A 52 -3.101 -7.031 -5.384 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.520 -6.238 -8.205 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.238 -4.503 -5.824 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.595 -4.220 -7.516 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.072 -6.410 -8.535 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.106 -4.844 -4.523 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.381 -7.265 -8.218 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.436 -5.653 -4.227 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.581 -6.852 -6.081 1.00 0.00 H new ATOM 835 N LEU A 53 -0.945 -6.083 -7.253 1.00 0.00 N ATOM 836 CA LEU A 53 0.421 -5.621 -6.988 1.00 0.00 C ATOM 837 C LEU A 53 0.722 -4.326 -7.736 1.00 0.00 C ATOM 838 O LEU A 53 0.924 -3.292 -7.099 1.00 0.00 O ATOM 839 CB LEU A 53 1.437 -6.734 -7.338 1.00 0.00 C ATOM 840 CG LEU A 53 2.827 -6.621 -6.670 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.501 -5.256 -6.812 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.766 -6.976 -5.180 1.00 0.00 C ATOM 0 H LEU A 53 -0.996 -7.019 -7.655 1.00 0.00 H new ATOM 0 HA LEU A 53 0.513 -5.401 -5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.002 -7.695 -7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.576 -6.744 -8.419 1.00 0.00 H new ATOM 0 HG LEU A 53 3.436 -7.341 -7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.469 -5.275 -6.312 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.642 -5.028 -7.869 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.872 -4.491 -6.357 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.761 -6.886 -4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.083 -6.295 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.411 -8.000 -5.064 1.00 0.00 H new ATOM 854 N ARG A 54 0.707 -4.335 -9.075 1.00 0.00 N ATOM 855 CA ARG A 54 1.117 -3.137 -9.806 1.00 0.00 C ATOM 856 C ARG A 54 0.149 -1.974 -9.580 1.00 0.00 C ATOM 857 O ARG A 54 0.548 -0.829 -9.780 1.00 0.00 O ATOM 858 CB ARG A 54 1.364 -3.424 -11.300 1.00 0.00 C ATOM 859 CG ARG A 54 2.275 -2.329 -11.887 1.00 0.00 C ATOM 860 CD ARG A 54 2.847 -2.627 -13.278 1.00 0.00 C ATOM 861 NE ARG A 54 4.060 -1.823 -13.512 1.00 0.00 N ATOM 862 CZ ARG A 54 4.591 -1.411 -14.668 1.00 0.00 C ATOM 863 NH1 ARG A 54 3.930 -1.551 -15.819 1.00 0.00 N ATOM 864 NH2 ARG A 54 5.795 -0.859 -14.667 1.00 0.00 N ATOM 0 H ARG A 54 0.426 -5.127 -9.653 1.00 0.00 H new ATOM 0 HA ARG A 54 2.077 -2.824 -9.396 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.828 -4.403 -11.422 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.416 -3.451 -11.838 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.710 -1.398 -11.937 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.104 -2.163 -11.199 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.083 -3.688 -13.363 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.101 -2.404 -14.041 1.00 0.00 H new ATOM 0 HE ARG A 54 4.566 -1.541 -12.673 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.004 -1.978 -15.827 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.351 -1.231 -16.691 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.306 -0.752 -13.791 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.211 -0.541 -15.542 1.00 0.00 H new ATOM 878 N ARG A 55 -1.103 -2.210 -9.140 1.00 0.00 N ATOM 879 CA ARG A 55 -1.966 -1.104 -8.799 1.00 0.00 C ATOM 880 C ARG A 55 -1.301 -0.364 -7.626 1.00 0.00 C ATOM 881 O ARG A 55 -1.138 0.847 -7.688 1.00 0.00 O ATOM 882 CB ARG A 55 -3.393 -1.553 -8.427 1.00 0.00 C ATOM 883 CG ARG A 55 -4.403 -1.914 -9.543 1.00 0.00 C ATOM 884 CD ARG A 55 -4.980 -0.776 -10.426 1.00 0.00 C ATOM 885 NE ARG A 55 -6.387 -0.424 -10.094 1.00 0.00 N ATOM 886 CZ ARG A 55 -7.024 0.754 -10.280 1.00 0.00 C ATOM 887 NH1 ARG A 55 -6.440 1.798 -10.850 1.00 0.00 N ATOM 888 NH2 ARG A 55 -8.270 0.923 -9.857 1.00 0.00 N ATOM 0 H ARG A 55 -1.514 -3.136 -9.021 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.084 -0.454 -9.666 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.301 -2.424 -7.778 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.839 -0.757 -7.830 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.920 -2.633 -10.205 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.243 -2.426 -9.074 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.356 0.111 -10.316 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.926 -1.076 -11.473 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.943 -1.168 -9.671 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.473 1.731 -11.168 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.957 2.669 -10.971 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.757 0.160 -9.386 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.741 1.816 -10.002 1.00 0.00 H new ATOM 902 N ILE A 56 -0.891 -1.063 -6.566 1.00 0.00 N ATOM 903 CA ILE A 56 -0.340 -0.384 -5.394 1.00 0.00 C ATOM 904 C ILE A 56 0.918 0.412 -5.759 1.00 0.00 C ATOM 905 O ILE A 56 1.130 1.473 -5.184 1.00 0.00 O ATOM 906 CB ILE A 56 -0.149 -1.368 -4.219 1.00 0.00 C ATOM 907 CG1 ILE A 56 -1.451 -2.139 -3.882 1.00 0.00 C ATOM 908 CG2 ILE A 56 0.348 -0.621 -2.969 1.00 0.00 C ATOM 909 CD1 ILE A 56 -2.759 -1.338 -3.998 1.00 0.00 C ATOM 0 H ILE A 56 -0.929 -2.080 -6.495 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.060 0.354 -5.040 1.00 0.00 H new ATOM 0 HB ILE A 56 0.598 -2.097 -4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.518 -3.004 -4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.371 -2.520 -2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.478 -1.328 -2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.302 -0.140 -3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.383 0.136 -2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.602 -1.979 -3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.727 -0.488 -3.317 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.877 -0.979 -5.021 1.00 0.00 H new ATOM 921 N SER A 57 1.679 -0.009 -6.769 1.00 0.00 N ATOM 922 CA SER A 57 2.823 0.757 -7.230 1.00 0.00 C ATOM 923 C SER A 57 2.340 2.052 -7.892 1.00 0.00 C ATOM 924 O SER A 57 2.679 3.123 -7.390 1.00 0.00 O ATOM 925 CB SER A 57 3.641 -0.133 -8.173 1.00 0.00 C ATOM 926 OG SER A 57 4.663 0.581 -8.813 1.00 0.00 O ATOM 0 H SER A 57 1.519 -0.877 -7.280 1.00 0.00 H new ATOM 0 HA SER A 57 3.468 1.055 -6.404 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.074 -0.958 -7.608 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.981 -0.571 -8.922 1.00 0.00 H new ATOM 0 HG SER A 57 4.724 0.297 -9.749 1.00 0.00 H new ATOM 932 N TRP A 58 1.493 1.981 -8.934 1.00 0.00 N ATOM 933 CA TRP A 58 0.872 3.155 -9.563 1.00 0.00 C ATOM 934 C TRP A 58 0.355 4.122 -8.495 1.00 0.00 C ATOM 935 O TRP A 58 0.580 5.327 -8.593 1.00 0.00 O ATOM 936 CB TRP A 58 -0.231 2.761 -10.573 1.00 0.00 C ATOM 937 CG TRP A 58 -1.472 3.617 -10.542 1.00 0.00 C ATOM 938 CD1 TRP A 58 -1.577 4.903 -10.940 1.00 0.00 C ATOM 939 CD2 TRP A 58 -2.747 3.321 -9.911 1.00 0.00 C ATOM 940 NE1 TRP A 58 -2.809 5.415 -10.575 1.00 0.00 N ATOM 941 CE2 TRP A 58 -3.566 4.481 -9.895 1.00 0.00 C ATOM 942 CE3 TRP A 58 -3.265 2.183 -9.287 1.00 0.00 C ATOM 943 CZ2 TRP A 58 -4.818 4.488 -9.250 1.00 0.00 C ATOM 944 CZ3 TRP A 58 -4.488 2.174 -8.629 1.00 0.00 C ATOM 945 CH2 TRP A 58 -5.263 3.331 -8.580 1.00 0.00 C ATOM 0 H TRP A 58 1.219 1.098 -9.365 1.00 0.00 H new ATOM 0 HA TRP A 58 1.640 3.670 -10.140 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.190 2.798 -11.578 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.519 1.727 -10.386 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.810 5.452 -11.467 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.120 6.364 -10.782 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.689 1.270 -9.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.434 5.375 -9.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -4.839 1.269 -8.155 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -6.195 3.341 -8.034 1.00 0.00 H new ATOM 956 N ASP A 59 -0.380 3.597 -7.513 1.00 0.00 N ATOM 957 CA ASP A 59 -0.963 4.363 -6.426 1.00 0.00 C ATOM 958 C ASP A 59 0.078 5.260 -5.762 1.00 0.00 C ATOM 959 O ASP A 59 -0.139 6.471 -5.696 1.00 0.00 O ATOM 960 CB ASP A 59 -1.622 3.433 -5.392 1.00 0.00 C ATOM 961 CG ASP A 59 -2.999 2.967 -5.820 1.00 0.00 C ATOM 962 OD1 ASP A 59 -3.868 3.809 -6.111 1.00 0.00 O ATOM 963 OD2 ASP A 59 -3.376 1.667 -5.812 1.00 0.00 O ATOM 0 H ASP A 59 -0.588 2.600 -7.456 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.736 5.005 -6.849 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.983 2.565 -5.230 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.699 3.954 -4.438 1.00 0.00 H new ATOM 969 N ILE A 60 1.159 4.678 -5.226 1.00 0.00 N ATOM 970 CA ILE A 60 2.209 5.452 -4.567 1.00 0.00 C ATOM 971 C ILE A 60 2.848 6.418 -5.575 1.00 0.00 C ATOM 972 O ILE A 60 3.006 7.597 -5.281 1.00 0.00 O ATOM 973 CB ILE A 60 3.277 4.571 -3.890 1.00 0.00 C ATOM 974 CG1 ILE A 60 2.741 3.435 -2.997 1.00 0.00 C ATOM 975 CG2 ILE A 60 4.143 5.467 -2.986 1.00 0.00 C ATOM 976 CD1 ILE A 60 1.476 3.683 -2.181 1.00 0.00 C ATOM 0 H ILE A 60 1.326 3.672 -5.238 1.00 0.00 H new ATOM 0 HA ILE A 60 1.739 6.020 -3.764 1.00 0.00 H new ATOM 0 HB ILE A 60 3.817 4.100 -4.712 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.559 2.570 -3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.534 3.158 -2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.906 4.861 -2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.623 6.237 -3.590 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.514 5.938 -2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.232 2.789 -1.608 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.641 4.517 -1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.651 3.921 -2.852 1.00 0.00 H new ATOM 988 N LEU A 61 3.243 5.917 -6.752 1.00 0.00 N ATOM 989 CA LEU A 61 3.972 6.674 -7.772 1.00 0.00 C ATOM 990 C LEU A 61 3.200 7.913 -8.239 1.00 0.00 C ATOM 991 O LEU A 61 3.816 8.932 -8.530 1.00 0.00 O ATOM 992 CB LEU A 61 4.284 5.785 -8.991 1.00 0.00 C ATOM 993 CG LEU A 61 5.255 4.613 -8.738 1.00 0.00 C ATOM 994 CD1 LEU A 61 5.230 3.673 -9.949 1.00 0.00 C ATOM 995 CD2 LEU A 61 6.702 5.052 -8.499 1.00 0.00 C ATOM 0 H LEU A 61 3.059 4.952 -7.026 1.00 0.00 H new ATOM 0 HA LEU A 61 4.901 7.006 -7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.346 5.379 -9.370 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.701 6.414 -9.778 1.00 0.00 H new ATOM 0 HG LEU A 61 4.913 4.119 -7.828 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.914 2.842 -9.778 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.220 3.289 -10.091 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.539 4.219 -10.840 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.325 4.174 -8.329 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.067 5.592 -9.372 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.745 5.703 -7.626 1.00 0.00 H new ATOM 1007 N THR A 62 1.867 7.855 -8.309 1.00 0.00 N ATOM 1008 CA THR A 62 1.030 9.008 -8.654 1.00 0.00 C ATOM 1009 C THR A 62 0.714 9.886 -7.432 1.00 0.00 C ATOM 1010 O THR A 62 -0.121 10.785 -7.523 1.00 0.00 O ATOM 1011 CB THR A 62 -0.231 8.562 -9.425 1.00 0.00 C ATOM 1012 OG1 THR A 62 -0.973 7.531 -8.791 1.00 0.00 O ATOM 1013 CG2 THR A 62 0.140 8.075 -10.830 1.00 0.00 C ATOM 0 H THR A 62 1.336 7.003 -8.127 1.00 0.00 H new ATOM 0 HA THR A 62 1.602 9.647 -9.327 1.00 0.00 H new ATOM 0 HB THR A 62 -0.862 9.450 -9.459 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.467 6.693 -8.830 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.762 7.765 -11.358 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.622 8.883 -11.380 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.824 7.230 -10.753 1.00 0.00 H new ATOM 1021 N GLY A 63 1.357 9.618 -6.290 1.00 0.00 N ATOM 1022 CA GLY A 63 1.149 10.224 -4.986 1.00 0.00 C ATOM 1023 C GLY A 63 -0.325 10.437 -4.687 1.00 0.00 C ATOM 1024 O GLY A 63 -0.707 11.488 -4.160 1.00 0.00 O ATOM 0 H GLY A 63 2.094 8.914 -6.260 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.587 9.588 -4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.670 11.181 -4.943 1.00 0.00 H new ATOM 1028 N LYS A 64 -1.161 9.412 -4.894 1.00 0.00 N ATOM 1029 CA LYS A 64 -2.588 9.601 -4.679 1.00 0.00 C ATOM 1030 C LYS A 64 -2.762 9.279 -3.205 1.00 0.00 C ATOM 1031 O LYS A 64 -2.107 8.399 -2.655 1.00 0.00 O ATOM 1032 CB LYS A 64 -3.345 8.668 -5.643 1.00 0.00 C ATOM 1033 CG LYS A 64 -4.878 8.661 -5.481 1.00 0.00 C ATOM 1034 CD LYS A 64 -5.677 8.824 -6.787 1.00 0.00 C ATOM 1035 CE LYS A 64 -5.291 7.840 -7.905 1.00 0.00 C ATOM 1036 NZ LYS A 64 -6.270 7.861 -9.020 1.00 0.00 N ATOM 0 H LYS A 64 -0.882 8.479 -5.199 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.981 10.596 -4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.105 8.957 -6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.976 7.652 -5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.173 7.724 -5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.159 9.464 -4.800 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.737 8.703 -6.566 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.542 9.841 -7.155 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.301 8.092 -8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.228 6.832 -7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.783 7.646 -9.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.008 7.149 -8.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.706 8.803 -9.082 1.00 0.00 H new ATOM 1050 N LYS A 65 -3.641 10.009 -2.524 1.00 0.00 N ATOM 1051 CA LYS A 65 -3.738 9.828 -1.077 1.00 0.00 C ATOM 1052 C LYS A 65 -4.392 8.483 -0.753 1.00 0.00 C ATOM 1053 O LYS A 65 -5.234 8.027 -1.523 1.00 0.00 O ATOM 1054 CB LYS A 65 -4.381 11.079 -0.454 1.00 0.00 C ATOM 1055 CG LYS A 65 -3.493 12.340 -0.601 1.00 0.00 C ATOM 1056 CD LYS A 65 -2.053 12.227 -0.045 1.00 0.00 C ATOM 1057 CE LYS A 65 -1.031 11.712 -1.079 1.00 0.00 C ATOM 1058 NZ LYS A 65 0.278 11.383 -0.478 1.00 0.00 N ATOM 0 H LYS A 65 -4.271 10.702 -2.927 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.757 9.755 -0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.346 11.261 -0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.574 10.896 0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.433 12.596 -1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.990 13.170 -0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.733 13.205 0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.056 11.558 0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.433 10.826 -1.570 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.891 12.468 -1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.764 10.679 -1.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.858 12.244 -0.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.134 10.994 0.476 1.00 0.00 H new ATOM 1072 N PRO A 66 -4.184 7.925 0.451 1.00 0.00 N ATOM 1073 CA PRO A 66 -4.642 6.592 0.831 1.00 0.00 C ATOM 1074 C PRO A 66 -6.150 6.420 0.720 1.00 0.00 C ATOM 1075 O PRO A 66 -6.609 5.444 0.134 1.00 0.00 O ATOM 1076 CB PRO A 66 -4.129 6.354 2.255 1.00 0.00 C ATOM 1077 CG PRO A 66 -3.787 7.754 2.752 1.00 0.00 C ATOM 1078 CD PRO A 66 -3.305 8.431 1.481 1.00 0.00 C ATOM 0 HA PRO A 66 -4.246 5.846 0.142 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.886 5.881 2.880 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.256 5.701 2.263 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.654 8.258 3.179 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.016 7.737 3.523 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.368 9.516 1.560 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -2.264 8.187 1.271 1.00 0.00 H new ATOM 1086 N GLN A 67 -6.923 7.358 1.273 1.00 0.00 N ATOM 1087 CA GLN A 67 -8.378 7.306 1.215 1.00 0.00 C ATOM 1088 C GLN A 67 -8.853 7.207 -0.241 1.00 0.00 C ATOM 1089 O GLN A 67 -9.774 6.449 -0.537 1.00 0.00 O ATOM 1090 CB GLN A 67 -8.944 8.552 1.921 1.00 0.00 C ATOM 1091 CG GLN A 67 -10.435 8.433 2.278 1.00 0.00 C ATOM 1092 CD GLN A 67 -10.715 7.472 3.437 1.00 0.00 C ATOM 1093 OE1 GLN A 67 -9.823 6.832 3.985 1.00 0.00 O ATOM 1094 NE2 GLN A 67 -11.967 7.365 3.849 1.00 0.00 N ATOM 0 H GLN A 67 -6.556 8.169 1.770 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.744 6.417 1.728 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.374 8.733 2.832 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.801 9.420 1.278 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.818 9.420 2.536 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.985 8.098 1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.703 7.900 3.388 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.197 6.747 4.627 1.00 0.00 H new ATOM 1103 N ALA A 68 -8.179 7.917 -1.153 1.00 0.00 N ATOM 1104 CA ALA A 68 -8.542 7.929 -2.562 1.00 0.00 C ATOM 1105 C ALA A 68 -8.039 6.658 -3.247 1.00 0.00 C ATOM 1106 O ALA A 68 -8.763 6.116 -4.075 1.00 0.00 O ATOM 1107 CB ALA A 68 -7.968 9.178 -3.242 1.00 0.00 C ATOM 0 H ALA A 68 -7.370 8.496 -0.929 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.628 7.958 -2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.245 9.178 -4.296 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.369 10.071 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.882 9.174 -3.152 1.00 0.00 H new ATOM 1113 N ILE A 69 -6.857 6.145 -2.881 1.00 0.00 N ATOM 1114 CA ILE A 69 -6.338 4.874 -3.386 1.00 0.00 C ATOM 1115 C ILE A 69 -7.378 3.773 -3.150 1.00 0.00 C ATOM 1116 O ILE A 69 -7.773 3.083 -4.086 1.00 0.00 O ATOM 1117 CB ILE A 69 -4.961 4.557 -2.735 1.00 0.00 C ATOM 1118 CG1 ILE A 69 -3.871 5.512 -3.278 1.00 0.00 C ATOM 1119 CG2 ILE A 69 -4.611 3.065 -2.923 1.00 0.00 C ATOM 1120 CD1 ILE A 69 -2.518 5.457 -2.555 1.00 0.00 C ATOM 0 H ILE A 69 -6.232 6.607 -2.221 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.165 4.936 -4.460 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.016 4.732 -1.661 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.708 5.286 -4.332 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.249 6.533 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.645 2.857 -2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.377 2.449 -2.452 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.563 2.834 -3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.830 6.165 -3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.656 5.716 -1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.106 4.450 -2.629 1.00 0.00 H new ATOM 1132 N CYS A 70 -7.819 3.609 -1.903 1.00 0.00 N ATOM 1133 CA CYS A 70 -8.794 2.615 -1.474 1.00 0.00 C ATOM 1134 C CYS A 70 -10.117 2.752 -2.230 1.00 0.00 C ATOM 1135 O CYS A 70 -10.774 1.733 -2.439 1.00 0.00 O ATOM 1136 CB CYS A 70 -8.956 2.714 0.044 1.00 0.00 C ATOM 1137 SG CYS A 70 -7.377 2.485 0.912 1.00 0.00 S ATOM 0 H CYS A 70 -7.490 4.192 -1.133 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.434 1.615 -1.717 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.374 3.687 0.301 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.668 1.962 0.383 1.00 0.00 H new ATOM 1142 N VAL A 71 -10.592 3.966 -2.526 1.00 0.00 N ATOM 1143 CA VAL A 71 -11.780 4.127 -3.366 1.00 0.00 C ATOM 1144 C VAL A 71 -11.447 3.653 -4.792 1.00 0.00 C ATOM 1145 O VAL A 71 -12.151 2.787 -5.291 1.00 0.00 O ATOM 1146 CB VAL A 71 -12.312 5.576 -3.300 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -13.449 5.832 -4.300 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -12.864 5.878 -1.895 1.00 0.00 C ATOM 0 H VAL A 71 -10.178 4.840 -2.201 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.596 3.506 -2.996 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.467 6.220 -3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.786 6.865 -4.212 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.090 5.653 -5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.280 5.160 -4.086 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.236 6.902 -1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -13.678 5.189 -1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -12.070 5.757 -1.158 1.00 0.00 H new ATOM 1158 N ASP A 72 -10.356 4.121 -5.409 1.00 0.00 N ATOM 1159 CA ASP A 72 -9.988 3.844 -6.808 1.00 0.00 C ATOM 1160 C ASP A 72 -9.892 2.339 -7.086 1.00 0.00 C ATOM 1161 O ASP A 72 -10.447 1.825 -8.057 1.00 0.00 O ATOM 1162 CB ASP A 72 -8.670 4.567 -7.130 1.00 0.00 C ATOM 1163 CG ASP A 72 -8.321 4.651 -8.623 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -8.280 3.607 -9.318 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -7.930 5.770 -9.035 1.00 0.00 O ATOM 0 H ASP A 72 -9.681 4.722 -4.936 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.773 4.222 -7.463 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.721 5.579 -6.727 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.858 4.058 -6.611 1.00 0.00 H new ATOM 1170 N ILE A 73 -9.183 1.599 -6.228 1.00 0.00 N ATOM 1171 CA ILE A 73 -9.032 0.145 -6.373 1.00 0.00 C ATOM 1172 C ILE A 73 -10.231 -0.645 -5.815 1.00 0.00 C ATOM 1173 O ILE A 73 -10.245 -1.872 -5.875 1.00 0.00 O ATOM 1174 CB ILE A 73 -7.679 -0.314 -5.824 1.00 0.00 C ATOM 1175 CG1 ILE A 73 -7.625 -0.233 -4.293 1.00 0.00 C ATOM 1176 CG2 ILE A 73 -6.565 0.500 -6.495 1.00 0.00 C ATOM 1177 CD1 ILE A 73 -6.213 -0.435 -3.762 1.00 0.00 C ATOM 0 H ILE A 73 -8.700 1.986 -5.418 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.036 -0.085 -7.438 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.533 -1.367 -6.065 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.000 0.738 -3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.285 -0.989 -3.866 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.597 0.179 -6.109 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.597 0.341 -7.573 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.708 1.559 -6.280 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.221 -0.370 -2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.848 -1.416 -4.064 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.558 0.336 -4.167 1.00 0.00 H new ATOM 1189 N LYS A 74 -11.216 0.074 -5.285 1.00 0.00 N ATOM 1190 CA LYS A 74 -12.525 -0.312 -4.794 1.00 0.00 C ATOM 1191 C LYS A 74 -12.451 -1.282 -3.619 1.00 0.00 C ATOM 1192 O LYS A 74 -12.711 -2.478 -3.711 1.00 0.00 O ATOM 1193 CB LYS A 74 -13.400 -0.747 -5.975 1.00 0.00 C ATOM 1194 CG LYS A 74 -14.856 -0.743 -5.514 1.00 0.00 C ATOM 1195 CD LYS A 74 -15.854 -1.336 -6.516 1.00 0.00 C ATOM 1196 CE LYS A 74 -15.714 -0.872 -7.980 1.00 0.00 C ATOM 1197 NZ LYS A 74 -16.117 0.536 -8.176 1.00 0.00 N ATOM 0 H LYS A 74 -11.090 1.081 -5.178 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.025 0.548 -4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.266 -0.069 -6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.112 -1.741 -6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.927 -1.300 -4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.150 0.284 -5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.759 -2.422 -6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.862 -1.097 -6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.679 -0.996 -8.298 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -16.323 -1.512 -8.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.003 0.794 -9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -17.113 0.654 -7.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.520 1.153 -7.589 1.00 0.00 H new ATOM 1211 N ILE A 75 -12.118 -0.704 -2.472 1.00 0.00 N ATOM 1212 CA ILE A 75 -11.928 -1.345 -1.178 1.00 0.00 C ATOM 1213 C ILE A 75 -12.618 -0.525 -0.072 1.00 0.00 C ATOM 1214 O ILE A 75 -12.941 -1.069 0.983 1.00 0.00 O ATOM 1215 CB ILE A 75 -10.407 -1.524 -0.925 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -9.771 -2.494 -1.946 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -10.107 -2.043 0.490 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -8.253 -2.618 -1.772 1.00 0.00 C ATOM 0 H ILE A 75 -11.962 0.303 -2.419 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.390 -2.332 -1.170 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.971 -0.531 -1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -10.227 -3.478 -1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.991 -2.148 -2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.030 -2.151 0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -10.490 -1.336 1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.588 -3.011 0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.857 -3.311 -2.514 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.790 -1.640 -1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.031 -2.991 -0.772 1.00 0.00 H new