USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 429 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -141:sc= -0.146 (180deg=-1.42!) USER MOD Single : A 2 SER OG : rot 54:sc= 1.02 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00338 USER MOD Single : A 9 THR OG1 : rot 86:sc= 0.677 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 87:sc= 0.644 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.138 USER MOD Single : A 39 HIS :FLIP no HD1:sc= -0.343 F(o=-1.4,f=-0.34) USER MOD Single : A 42 THR OG1 : rot 77:sc= 0.684 USER MOD Single : A 44 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.23) USER MOD Single : A 45 GLN : amide:sc= -1.86 K(o=-1.9,f=-3.5!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.647 32.971 11.299 1.00 0.00 N ATOM 2 CA MET A 1 -19.228 32.573 11.527 1.00 0.00 C ATOM 3 C MET A 1 -18.338 33.269 10.504 1.00 0.00 C ATOM 4 O MET A 1 -18.801 34.114 9.737 1.00 0.00 O ATOM 5 CB MET A 1 -19.098 31.055 11.384 1.00 0.00 C ATOM 6 CG MET A 1 -20.185 30.368 12.214 1.00 0.00 C ATOM 7 SD MET A 1 -21.349 29.534 11.108 1.00 0.00 S ATOM 8 CE MET A 1 -22.525 29.001 12.377 1.00 0.00 C ATOM 0 H1 MET A 1 -21.123 33.100 12.215 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.676 33.863 10.765 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.133 32.228 10.758 1.00 0.00 H new ATOM 0 HA MET A 1 -18.919 32.867 12.530 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.190 30.769 10.336 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.112 30.731 11.717 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.735 29.647 12.897 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.710 31.102 12.825 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.343 28.455 11.908 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.019 28.353 13.093 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.922 29.874 12.895 1.00 0.00 H new ATOM 20 N SER A 2 -17.059 32.909 10.495 1.00 0.00 N ATOM 21 CA SER A 2 -16.113 33.505 9.560 1.00 0.00 C ATOM 22 C SER A 2 -14.812 32.709 9.535 1.00 0.00 C ATOM 23 O SER A 2 -13.841 33.108 8.891 1.00 0.00 O ATOM 24 CB SER A 2 -15.822 34.951 9.960 1.00 0.00 C ATOM 25 OG SER A 2 -14.415 35.141 10.042 1.00 0.00 O ATOM 0 H SER A 2 -16.656 32.212 11.121 1.00 0.00 H new ATOM 0 HA SER A 2 -16.556 33.488 8.564 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.251 35.636 9.229 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.288 35.176 10.920 1.00 0.00 H new ATOM 0 HG SER A 2 -13.998 34.864 9.200 1.00 0.00 H new ATOM 31 N GLU A 3 -14.797 31.584 10.240 1.00 0.00 N ATOM 32 CA GLU A 3 -13.610 30.739 10.292 1.00 0.00 C ATOM 33 C GLU A 3 -13.929 29.401 10.950 1.00 0.00 C ATOM 34 O GLU A 3 -13.287 29.005 11.922 1.00 0.00 O ATOM 35 CB GLU A 3 -12.503 31.445 11.078 1.00 0.00 C ATOM 36 CG GLU A 3 -11.155 30.802 10.752 1.00 0.00 C ATOM 37 CD GLU A 3 -10.029 31.582 11.422 1.00 0.00 C ATOM 38 OE1 GLU A 3 -9.835 31.398 12.613 1.00 0.00 O ATOM 39 OE2 GLU A 3 -9.376 32.349 10.735 1.00 0.00 O ATOM 0 H GLU A 3 -15.589 31.237 10.781 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.273 30.556 9.272 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.483 32.505 10.825 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.701 31.376 12.148 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.145 29.767 11.093 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.003 30.783 9.673 1.00 0.00 H new ATOM 46 N PRO A 4 -14.912 28.712 10.438 1.00 0.00 N ATOM 47 CA PRO A 4 -15.333 27.387 10.980 1.00 0.00 C ATOM 48 C PRO A 4 -14.273 26.312 10.767 1.00 0.00 C ATOM 49 O PRO A 4 -13.437 26.420 9.869 1.00 0.00 O ATOM 50 CB PRO A 4 -16.607 27.062 10.193 1.00 0.00 C ATOM 51 CG PRO A 4 -16.516 27.858 8.936 1.00 0.00 C ATOM 52 CD PRO A 4 -15.716 29.118 9.282 1.00 0.00 C ATOM 0 HA PRO A 4 -15.488 27.418 12.058 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -16.673 25.996 9.978 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -17.498 27.328 10.762 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -16.022 27.288 8.149 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -17.508 28.117 8.567 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -15.088 29.435 8.449 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -16.371 29.955 9.524 1.00 0.00 H new ATOM 60 N ALA A 5 -14.313 25.273 11.595 1.00 0.00 N ATOM 61 CA ALA A 5 -13.353 24.181 11.486 1.00 0.00 C ATOM 62 C ALA A 5 -13.348 23.611 10.071 1.00 0.00 C ATOM 63 O ALA A 5 -12.541 22.741 9.745 1.00 0.00 O ATOM 64 CB ALA A 5 -13.704 23.075 12.482 1.00 0.00 C ATOM 0 H ALA A 5 -14.996 25.164 12.345 1.00 0.00 H new ATOM 0 HA ALA A 5 -12.361 24.571 11.712 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -12.982 22.263 12.394 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -13.677 23.476 13.495 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -14.703 22.696 12.268 1.00 0.00 H new ATOM 70 N SER A 6 -14.248 24.115 9.232 1.00 0.00 N ATOM 71 CA SER A 6 -14.340 23.644 7.854 1.00 0.00 C ATOM 72 C SER A 6 -12.963 23.665 7.193 1.00 0.00 C ATOM 73 O SER A 6 -12.589 22.722 6.494 1.00 0.00 O ATOM 74 CB SER A 6 -15.296 24.538 7.064 1.00 0.00 C ATOM 75 OG SER A 6 -16.529 24.638 7.763 1.00 0.00 O ATOM 0 H SER A 6 -14.918 24.843 9.479 1.00 0.00 H new ATOM 0 HA SER A 6 -14.717 22.621 7.860 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.860 25.528 6.929 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.461 24.124 6.069 1.00 0.00 H new ATOM 0 HG SER A 6 -17.144 25.212 7.261 1.00 0.00 H new ATOM 81 N LEU A 7 -12.213 24.735 7.425 1.00 0.00 N ATOM 82 CA LEU A 7 -10.879 24.863 6.849 1.00 0.00 C ATOM 83 C LEU A 7 -9.933 23.837 7.467 1.00 0.00 C ATOM 84 O LEU A 7 -9.278 23.073 6.755 1.00 0.00 O ATOM 85 CB LEU A 7 -10.336 26.271 7.092 1.00 0.00 C ATOM 86 CG LEU A 7 -9.637 26.773 5.829 1.00 0.00 C ATOM 87 CD1 LEU A 7 -9.065 28.168 6.081 1.00 0.00 C ATOM 88 CD2 LEU A 7 -8.500 25.816 5.461 1.00 0.00 C ATOM 0 H LEU A 7 -12.503 25.523 8.004 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.947 24.683 5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -11.149 26.944 7.362 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.637 26.263 7.929 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.356 26.818 5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.567 28.525 5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.873 28.851 6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.347 28.124 6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.001 26.173 4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.782 25.772 6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.906 24.821 5.280 1.00 0.00 H new ATOM 100 N LEU A 8 -9.868 23.822 8.795 1.00 0.00 N ATOM 101 CA LEU A 8 -8.997 22.883 9.494 1.00 0.00 C ATOM 102 C LEU A 8 -9.408 21.446 9.190 1.00 0.00 C ATOM 103 O LEU A 8 -8.697 20.502 9.534 1.00 0.00 O ATOM 104 CB LEU A 8 -9.079 23.128 11.005 1.00 0.00 C ATOM 105 CG LEU A 8 -8.189 24.314 11.378 1.00 0.00 C ATOM 106 CD1 LEU A 8 -6.718 23.924 11.216 1.00 0.00 C ATOM 107 CD2 LEU A 8 -8.506 25.497 10.458 1.00 0.00 C ATOM 0 H LEU A 8 -10.402 24.442 9.403 1.00 0.00 H new ATOM 0 HA LEU A 8 -7.974 23.037 9.152 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.110 23.328 11.296 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.762 22.237 11.546 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.377 24.596 12.414 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.086 24.771 11.482 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.491 23.082 11.869 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.528 23.641 10.181 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.872 26.344 10.722 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.319 25.213 9.422 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.553 25.777 10.573 1.00 0.00 H new ATOM 119 N THR A 9 -10.558 21.289 8.544 1.00 0.00 N ATOM 120 CA THR A 9 -11.051 19.961 8.200 1.00 0.00 C ATOM 121 C THR A 9 -10.751 19.629 6.745 1.00 0.00 C ATOM 122 O THR A 9 -10.403 18.498 6.412 1.00 0.00 O ATOM 123 CB THR A 9 -12.566 19.893 8.437 1.00 0.00 C ATOM 124 OG1 THR A 9 -12.864 20.391 9.733 1.00 0.00 O ATOM 125 CG2 THR A 9 -13.036 18.441 8.324 1.00 0.00 C ATOM 0 H THR A 9 -11.161 22.057 8.250 1.00 0.00 H new ATOM 0 HA THR A 9 -10.544 19.234 8.834 1.00 0.00 H new ATOM 0 HB THR A 9 -13.079 20.498 7.690 1.00 0.00 H new ATOM 0 HG1 THR A 9 -12.967 21.365 9.694 1.00 0.00 H new ATOM 0 HG21 THR A 9 -14.112 18.393 8.492 1.00 0.00 H new ATOM 0 HG22 THR A 9 -12.807 18.061 7.328 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.524 17.834 9.071 1.00 0.00 H new ATOM 133 N ALA A 10 -10.879 20.630 5.878 1.00 0.00 N ATOM 134 CA ALA A 10 -10.615 20.435 4.455 1.00 0.00 C ATOM 135 C ALA A 10 -9.135 20.170 4.216 1.00 0.00 C ATOM 136 O ALA A 10 -8.757 19.536 3.227 1.00 0.00 O ATOM 137 CB ALA A 10 -11.053 21.671 3.670 1.00 0.00 C ATOM 0 H ALA A 10 -11.161 21.577 6.133 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.183 19.570 4.113 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.853 21.518 2.609 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.120 21.837 3.818 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.499 22.541 4.022 1.00 0.00 H new ATOM 143 N SER A 11 -8.297 20.659 5.124 1.00 0.00 N ATOM 144 CA SER A 11 -6.856 20.469 5.000 1.00 0.00 C ATOM 145 C SER A 11 -6.497 18.995 5.161 1.00 0.00 C ATOM 146 O SER A 11 -5.335 18.612 5.026 1.00 0.00 O ATOM 147 CB SER A 11 -6.129 21.290 6.066 1.00 0.00 C ATOM 148 OG SER A 11 -4.956 21.860 5.499 1.00 0.00 O ATOM 0 H SER A 11 -8.587 21.186 5.948 1.00 0.00 H new ATOM 0 HA SER A 11 -6.547 20.803 4.010 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.783 22.076 6.445 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.867 20.657 6.914 1.00 0.00 H new ATOM 0 HG SER A 11 -4.488 22.388 6.179 1.00 0.00 H new ATOM 154 N ASP A 12 -7.502 18.173 5.447 1.00 0.00 N ATOM 155 CA ASP A 12 -7.282 16.741 5.624 1.00 0.00 C ATOM 156 C ASP A 12 -7.745 15.972 4.392 1.00 0.00 C ATOM 157 O ASP A 12 -7.580 14.755 4.312 1.00 0.00 O ATOM 158 CB ASP A 12 -8.037 16.245 6.856 1.00 0.00 C ATOM 159 CG ASP A 12 -7.058 15.651 7.864 1.00 0.00 C ATOM 160 OD1 ASP A 12 -6.030 16.267 8.097 1.00 0.00 O ATOM 161 OD2 ASP A 12 -7.350 14.589 8.390 1.00 0.00 O ATOM 0 H ASP A 12 -8.471 18.471 5.561 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.214 16.570 5.762 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.586 17.069 7.312 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.772 15.494 6.565 1.00 0.00 H new ATOM 166 N LEU A 13 -8.323 16.688 3.436 1.00 0.00 N ATOM 167 CA LEU A 13 -8.808 16.062 2.211 1.00 0.00 C ATOM 168 C LEU A 13 -8.597 16.990 1.017 1.00 0.00 C ATOM 169 O LEU A 13 -9.179 16.790 -0.048 1.00 0.00 O ATOM 170 CB LEU A 13 -10.290 15.724 2.341 1.00 0.00 C ATOM 171 CG LEU A 13 -11.033 16.914 2.949 1.00 0.00 C ATOM 172 CD1 LEU A 13 -12.279 17.219 2.117 1.00 0.00 C ATOM 173 CD2 LEU A 13 -11.451 16.575 4.382 1.00 0.00 C ATOM 0 H LEU A 13 -8.467 17.697 3.484 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.244 15.143 2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.706 15.483 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.419 14.842 2.968 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.378 17.785 2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.808 18.067 2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.985 17.459 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.934 16.348 2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.981 17.423 4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.106 15.704 4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.565 16.357 4.978 1.00 0.00 H new ATOM 185 N ASP A 14 -7.759 18.007 1.203 1.00 0.00 N ATOM 186 CA ASP A 14 -7.480 18.958 0.135 1.00 0.00 C ATOM 187 C ASP A 14 -6.885 18.244 -1.075 1.00 0.00 C ATOM 188 O ASP A 14 -6.420 17.109 -0.976 1.00 0.00 O ATOM 189 CB ASP A 14 -6.503 20.026 0.629 1.00 0.00 C ATOM 190 CG ASP A 14 -7.207 21.377 0.720 1.00 0.00 C ATOM 191 OD1 ASP A 14 -8.348 21.400 1.154 1.00 0.00 O ATOM 192 OD2 ASP A 14 -6.596 22.366 0.355 1.00 0.00 O ATOM 0 H ASP A 14 -7.266 18.191 2.077 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.417 19.431 -0.159 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.109 19.746 1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.653 20.095 -0.050 1.00 0.00 H new ATOM 197 N PRO A 15 -6.898 18.892 -2.209 1.00 0.00 N ATOM 198 CA PRO A 15 -6.351 18.317 -3.472 1.00 0.00 C ATOM 199 C PRO A 15 -5.000 17.639 -3.261 1.00 0.00 C ATOM 200 O PRO A 15 -4.820 16.471 -3.603 1.00 0.00 O ATOM 201 CB PRO A 15 -6.214 19.530 -4.392 1.00 0.00 C ATOM 202 CG PRO A 15 -7.223 20.520 -3.899 1.00 0.00 C ATOM 203 CD PRO A 15 -7.434 20.244 -2.414 1.00 0.00 C ATOM 0 HA PRO A 15 -6.996 17.538 -3.878 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.206 19.943 -4.350 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.405 19.259 -5.430 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.870 21.540 -4.055 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.160 20.420 -4.446 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.912 20.975 -1.797 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.489 20.297 -2.147 1.00 0.00 H new ATOM 211 N LEU A 16 -4.055 18.382 -2.692 1.00 0.00 N ATOM 212 CA LEU A 16 -2.724 17.841 -2.440 1.00 0.00 C ATOM 213 C LEU A 16 -2.808 16.585 -1.578 1.00 0.00 C ATOM 214 O LEU A 16 -2.274 15.537 -1.941 1.00 0.00 O ATOM 215 CB LEU A 16 -1.861 18.889 -1.734 1.00 0.00 C ATOM 216 CG LEU A 16 -0.925 19.548 -2.748 1.00 0.00 C ATOM 217 CD1 LEU A 16 0.093 18.520 -3.252 1.00 0.00 C ATOM 218 CD2 LEU A 16 -1.742 20.079 -3.927 1.00 0.00 C ATOM 0 H LEU A 16 -4.184 19.351 -2.399 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.272 17.580 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.495 19.642 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.281 18.421 -0.938 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.398 20.374 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.759 18.992 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.677 18.144 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.432 17.692 -3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.075 20.549 -4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.271 19.254 -4.404 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.463 20.813 -3.568 1.00 0.00 H new ATOM 230 N ILE A 17 -3.483 16.700 -0.439 1.00 0.00 N ATOM 231 CA ILE A 17 -3.628 15.567 0.464 1.00 0.00 C ATOM 232 C ILE A 17 -4.318 14.403 -0.239 1.00 0.00 C ATOM 233 O ILE A 17 -3.942 13.245 -0.057 1.00 0.00 O ATOM 234 CB ILE A 17 -4.450 15.979 1.690 1.00 0.00 C ATOM 235 CG1 ILE A 17 -3.701 17.070 2.460 1.00 0.00 C ATOM 236 CG2 ILE A 17 -4.663 14.764 2.596 1.00 0.00 C ATOM 237 CD1 ILE A 17 -2.735 16.426 3.458 1.00 0.00 C ATOM 0 H ILE A 17 -3.934 17.558 -0.122 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.634 15.250 0.778 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.418 16.362 1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.152 17.706 1.766 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.410 17.709 2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.248 15.058 3.468 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.197 13.989 2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.697 14.378 2.921 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.203 17.205 4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.295 15.808 4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.018 15.805 2.921 1.00 0.00 H new ATOM 249 N LEU A 18 -5.327 14.718 -1.044 1.00 0.00 N ATOM 250 CA LEU A 18 -6.063 13.689 -1.770 1.00 0.00 C ATOM 251 C LEU A 18 -5.133 12.907 -2.688 1.00 0.00 C ATOM 252 O LEU A 18 -5.198 11.681 -2.755 1.00 0.00 O ATOM 253 CB LEU A 18 -7.183 14.329 -2.594 1.00 0.00 C ATOM 254 CG LEU A 18 -8.537 14.007 -1.959 1.00 0.00 C ATOM 255 CD1 LEU A 18 -9.620 14.871 -2.603 1.00 0.00 C ATOM 256 CD2 LEU A 18 -8.864 12.529 -2.182 1.00 0.00 C ATOM 0 H LEU A 18 -5.652 15.670 -1.210 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.496 13.001 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.041 15.409 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.153 13.957 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.496 14.214 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.585 14.642 -2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.387 15.924 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.662 14.664 -3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.829 12.298 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.905 12.323 -3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.091 11.912 -1.723 1.00 0.00 H new ATOM 268 N THR A 19 -4.268 13.627 -3.396 1.00 0.00 N ATOM 269 CA THR A 19 -3.326 12.990 -4.310 1.00 0.00 C ATOM 270 C THR A 19 -2.433 12.007 -3.561 1.00 0.00 C ATOM 271 O THR A 19 -2.266 10.862 -3.980 1.00 0.00 O ATOM 272 CB THR A 19 -2.463 14.052 -4.993 1.00 0.00 C ATOM 273 OG1 THR A 19 -2.660 15.305 -4.352 1.00 0.00 O ATOM 274 CG2 THR A 19 -2.854 14.163 -6.466 1.00 0.00 C ATOM 0 H THR A 19 -4.200 14.644 -3.355 1.00 0.00 H new ATOM 0 HA THR A 19 -3.893 12.444 -5.064 1.00 0.00 H new ATOM 0 HB THR A 19 -1.413 13.767 -4.920 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.043 15.385 -3.595 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.237 14.920 -6.950 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.700 13.202 -6.957 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.904 14.446 -6.543 1.00 0.00 H new ATOM 282 N LEU A 20 -1.863 12.462 -2.450 1.00 0.00 N ATOM 283 CA LEU A 20 -0.988 11.613 -1.650 1.00 0.00 C ATOM 284 C LEU A 20 -1.769 10.434 -1.074 1.00 0.00 C ATOM 285 O LEU A 20 -1.275 9.306 -1.045 1.00 0.00 O ATOM 286 CB LEU A 20 -0.372 12.425 -0.509 1.00 0.00 C ATOM 287 CG LEU A 20 0.554 13.495 -1.088 1.00 0.00 C ATOM 288 CD1 LEU A 20 0.552 14.722 -0.174 1.00 0.00 C ATOM 289 CD2 LEU A 20 1.977 12.937 -1.188 1.00 0.00 C ATOM 0 H LEU A 20 -1.990 13.406 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.195 11.232 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.158 12.892 0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.186 11.769 0.159 1.00 0.00 H new ATOM 0 HG LEU A 20 0.203 13.780 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.212 15.485 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.460 15.120 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.903 14.437 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.638 13.699 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.327 12.652 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.980 12.063 -1.839 1.00 0.00 H new ATOM 301 N SER A 21 -2.985 10.704 -0.614 1.00 0.00 N ATOM 302 CA SER A 21 -3.824 9.658 -0.039 1.00 0.00 C ATOM 303 C SER A 21 -4.159 8.603 -1.088 1.00 0.00 C ATOM 304 O SER A 21 -4.001 7.406 -0.850 1.00 0.00 O ATOM 305 CB SER A 21 -5.116 10.267 0.506 1.00 0.00 C ATOM 306 OG SER A 21 -6.095 9.245 0.640 1.00 0.00 O ATOM 0 H SER A 21 -3.410 11.631 -0.627 1.00 0.00 H new ATOM 0 HA SER A 21 -3.275 9.183 0.774 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.931 10.738 1.471 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.476 11.046 -0.166 1.00 0.00 H new ATOM 0 HG SER A 21 -6.925 9.631 0.991 1.00 0.00 H new ATOM 312 N LEU A 22 -4.622 9.056 -2.249 1.00 0.00 N ATOM 313 CA LEU A 22 -4.975 8.140 -3.328 1.00 0.00 C ATOM 314 C LEU A 22 -3.800 7.226 -3.661 1.00 0.00 C ATOM 315 O LEU A 22 -3.984 6.040 -3.935 1.00 0.00 O ATOM 316 CB LEU A 22 -5.377 8.932 -4.574 1.00 0.00 C ATOM 317 CG LEU A 22 -6.847 8.661 -4.900 1.00 0.00 C ATOM 318 CD1 LEU A 22 -7.725 9.137 -3.739 1.00 0.00 C ATOM 319 CD2 LEU A 22 -7.234 9.415 -6.172 1.00 0.00 C ATOM 0 H LEU A 22 -4.761 10.043 -2.466 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.815 7.528 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.221 9.998 -4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.748 8.647 -5.417 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.993 7.592 -5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.772 8.944 -3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.450 8.600 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.579 10.206 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.281 9.222 -6.405 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.087 10.484 -6.020 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.610 9.077 -6.999 1.00 0.00 H new ATOM 331 N ILE A 23 -2.596 7.786 -3.635 1.00 0.00 N ATOM 332 CA ILE A 23 -1.400 7.010 -3.938 1.00 0.00 C ATOM 333 C ILE A 23 -1.256 5.847 -2.958 1.00 0.00 C ATOM 334 O ILE A 23 -1.220 4.685 -3.363 1.00 0.00 O ATOM 335 CB ILE A 23 -0.161 7.907 -3.857 1.00 0.00 C ATOM 336 CG1 ILE A 23 0.045 8.610 -5.201 1.00 0.00 C ATOM 337 CG2 ILE A 23 1.068 7.055 -3.535 1.00 0.00 C ATOM 338 CD1 ILE A 23 1.110 9.699 -5.050 1.00 0.00 C ATOM 0 H ILE A 23 -2.423 8.766 -3.409 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.492 6.611 -4.948 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.302 8.651 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.353 7.888 -5.958 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.893 9.049 -5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.949 7.694 -3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.922 6.552 -2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.210 6.311 -4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.257 10.200 -6.007 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.784 10.426 -4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.049 9.248 -4.729 1.00 0.00 H new ATOM 350 N LEU A 24 -1.158 6.173 -1.675 1.00 0.00 N ATOM 351 CA LEU A 24 -1.011 5.147 -0.649 1.00 0.00 C ATOM 352 C LEU A 24 -2.186 4.178 -0.682 1.00 0.00 C ATOM 353 O LEU A 24 -2.043 3.001 -0.354 1.00 0.00 O ATOM 354 CB LEU A 24 -0.923 5.799 0.734 1.00 0.00 C ATOM 355 CG LEU A 24 -0.812 4.715 1.806 1.00 0.00 C ATOM 356 CD1 LEU A 24 0.266 5.105 2.819 1.00 0.00 C ATOM 357 CD2 LEU A 24 -2.156 4.571 2.524 1.00 0.00 C ATOM 0 H LEU A 24 -1.177 7.130 -1.322 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.094 4.592 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.058 6.461 0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.805 6.414 0.914 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.544 3.768 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.344 4.331 3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.224 5.210 2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.001 6.052 3.288 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.079 3.798 3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.422 5.519 2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.925 4.293 1.804 1.00 0.00 H new ATOM 369 N VAL A 25 -3.349 4.682 -1.079 1.00 0.00 N ATOM 370 CA VAL A 25 -4.547 3.851 -1.151 1.00 0.00 C ATOM 371 C VAL A 25 -4.425 2.830 -2.276 1.00 0.00 C ATOM 372 O VAL A 25 -4.620 1.633 -2.063 1.00 0.00 O ATOM 373 CB VAL A 25 -5.778 4.729 -1.385 1.00 0.00 C ATOM 374 CG1 VAL A 25 -7.003 3.840 -1.606 1.00 0.00 C ATOM 375 CG2 VAL A 25 -6.009 5.620 -0.162 1.00 0.00 C ATOM 0 H VAL A 25 -3.489 5.654 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.655 3.319 -0.206 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.618 5.353 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.881 4.465 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.839 3.205 -2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.163 3.216 -0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.886 6.246 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.170 4.996 0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.136 6.253 -0.003 1.00 0.00 H new ATOM 385 N LEU A 26 -4.099 3.309 -3.471 1.00 0.00 N ATOM 386 CA LEU A 26 -3.952 2.428 -4.624 1.00 0.00 C ATOM 387 C LEU A 26 -2.769 1.485 -4.427 1.00 0.00 C ATOM 388 O LEU A 26 -2.839 0.306 -4.775 1.00 0.00 O ATOM 389 CB LEU A 26 -3.743 3.256 -5.891 1.00 0.00 C ATOM 390 CG LEU A 26 -5.100 3.670 -6.461 1.00 0.00 C ATOM 391 CD1 LEU A 26 -4.951 4.976 -7.242 1.00 0.00 C ATOM 392 CD2 LEU A 26 -5.616 2.574 -7.397 1.00 0.00 C ATOM 0 H LEU A 26 -3.932 4.296 -3.667 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.862 1.836 -4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.146 4.140 -5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.188 2.677 -6.629 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.807 3.815 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.919 5.270 -7.648 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.584 5.758 -6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.244 4.833 -8.059 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.583 2.869 -7.804 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.908 2.429 -8.213 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.724 1.642 -6.842 1.00 0.00 H new ATOM 404 N ILE A 27 -1.684 2.011 -3.868 1.00 0.00 N ATOM 405 CA ILE A 27 -0.491 1.207 -3.629 1.00 0.00 C ATOM 406 C ILE A 27 -0.792 0.106 -2.613 1.00 0.00 C ATOM 407 O ILE A 27 -0.516 -1.069 -2.859 1.00 0.00 O ATOM 408 CB ILE A 27 0.641 2.092 -3.111 1.00 0.00 C ATOM 409 CG1 ILE A 27 1.378 2.719 -4.296 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.619 1.247 -2.290 1.00 0.00 C ATOM 411 CD1 ILE A 27 2.465 1.763 -4.793 1.00 0.00 C ATOM 0 H ILE A 27 -1.606 2.984 -3.574 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.185 0.748 -4.569 1.00 0.00 H new ATOM 0 HB ILE A 27 0.227 2.879 -2.481 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.675 2.935 -5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.824 3.668 -3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.426 1.880 -1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.094 0.800 -1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.034 0.459 -2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.987 2.213 -5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.175 1.569 -3.989 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.008 0.825 -5.108 1.00 0.00 H new ATOM 423 N SER A 28 -1.340 0.498 -1.469 1.00 0.00 N ATOM 424 CA SER A 28 -1.668 -0.464 -0.422 1.00 0.00 C ATOM 425 C SER A 28 -2.623 -1.528 -0.956 1.00 0.00 C ATOM 426 O SER A 28 -2.472 -2.715 -0.662 1.00 0.00 O ATOM 427 CB SER A 28 -2.316 0.254 0.762 1.00 0.00 C ATOM 428 OG SER A 28 -2.567 -0.684 1.800 1.00 0.00 O ATOM 0 H SER A 28 -1.565 1.467 -1.243 1.00 0.00 H new ATOM 0 HA SER A 28 -0.747 -0.946 -0.095 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.662 1.047 1.123 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.247 0.726 0.450 1.00 0.00 H new ATOM 0 HG SER A 28 -2.981 -0.226 2.561 1.00 0.00 H new ATOM 434 N LEU A 29 -3.607 -1.097 -1.740 1.00 0.00 N ATOM 435 CA LEU A 29 -4.581 -2.022 -2.307 1.00 0.00 C ATOM 436 C LEU A 29 -3.893 -3.033 -3.216 1.00 0.00 C ATOM 437 O LEU A 29 -4.156 -4.233 -3.138 1.00 0.00 O ATOM 438 CB LEU A 29 -5.633 -1.249 -3.103 1.00 0.00 C ATOM 439 CG LEU A 29 -6.847 -2.145 -3.349 1.00 0.00 C ATOM 440 CD1 LEU A 29 -7.980 -1.741 -2.403 1.00 0.00 C ATOM 441 CD2 LEU A 29 -7.312 -1.983 -4.798 1.00 0.00 C ATOM 0 H LEU A 29 -3.750 -0.120 -1.995 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.065 -2.557 -1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.933 -0.354 -2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.214 -0.917 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.575 -3.185 -3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.846 -2.380 -2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.649 -1.853 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.253 -0.702 -2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.178 -2.621 -4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.584 -0.943 -4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.506 -2.269 -5.473 1.00 0.00 H new ATOM 453 N LEU A 30 -3.009 -2.542 -4.080 1.00 0.00 N ATOM 454 CA LEU A 30 -2.289 -3.414 -4.999 1.00 0.00 C ATOM 455 C LEU A 30 -1.539 -4.499 -4.233 1.00 0.00 C ATOM 456 O LEU A 30 -1.663 -5.684 -4.538 1.00 0.00 O ATOM 457 CB LEU A 30 -1.295 -2.594 -5.826 1.00 0.00 C ATOM 458 CG LEU A 30 -1.206 -3.174 -7.238 1.00 0.00 C ATOM 459 CD1 LEU A 30 -2.372 -2.652 -8.081 1.00 0.00 C ATOM 460 CD2 LEU A 30 0.117 -2.746 -7.880 1.00 0.00 C ATOM 0 H LEU A 30 -2.776 -1.552 -4.162 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.013 -3.887 -5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.613 -1.552 -5.869 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.313 -2.608 -5.353 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.254 -4.262 -7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.307 -3.066 -9.087 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.315 -2.953 -7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.325 -1.564 -8.133 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.183 -3.158 -8.887 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.162 -1.658 -7.930 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.949 -3.117 -7.281 1.00 0.00 H new ATOM 472 N LEU A 31 -0.761 -4.085 -3.238 1.00 0.00 N ATOM 473 CA LEU A 31 0.004 -5.030 -2.436 1.00 0.00 C ATOM 474 C LEU A 31 -0.915 -6.078 -1.817 1.00 0.00 C ATOM 475 O LEU A 31 -0.585 -7.264 -1.784 1.00 0.00 O ATOM 476 CB LEU A 31 0.754 -4.288 -1.327 1.00 0.00 C ATOM 477 CG LEU A 31 2.118 -4.944 -1.106 1.00 0.00 C ATOM 478 CD1 LEU A 31 2.855 -4.221 0.023 1.00 0.00 C ATOM 479 CD2 LEU A 31 1.921 -6.412 -0.725 1.00 0.00 C ATOM 0 H LEU A 31 -0.645 -3.108 -2.970 1.00 0.00 H new ATOM 0 HA LEU A 31 0.720 -5.531 -3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.882 -3.240 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.174 -4.310 -0.404 1.00 0.00 H new ATOM 0 HG LEU A 31 2.704 -4.880 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.827 -4.688 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.995 -3.174 -0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.269 -4.285 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.892 -6.880 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.335 -6.474 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.395 -6.929 -1.528 1.00 0.00 H new ATOM 491 N THR A 32 -2.067 -5.633 -1.328 1.00 0.00 N ATOM 492 CA THR A 32 -3.025 -6.542 -0.713 1.00 0.00 C ATOM 493 C THR A 32 -3.574 -7.524 -1.739 1.00 0.00 C ATOM 494 O THR A 32 -3.671 -8.721 -1.476 1.00 0.00 O ATOM 495 CB THR A 32 -4.179 -5.744 -0.096 1.00 0.00 C ATOM 496 OG1 THR A 32 -3.771 -5.212 1.157 1.00 0.00 O ATOM 497 CG2 THR A 32 -5.386 -6.664 0.105 1.00 0.00 C ATOM 0 H THR A 32 -2.358 -4.656 -1.345 1.00 0.00 H new ATOM 0 HA THR A 32 -2.512 -7.104 0.067 1.00 0.00 H new ATOM 0 HB THR A 32 -4.454 -4.927 -0.763 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.508 -4.700 1.551 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.207 -6.097 0.544 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.699 -7.069 -0.857 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.113 -7.482 0.772 1.00 0.00 H new ATOM 505 N VAL A 33 -3.932 -7.008 -2.911 1.00 0.00 N ATOM 506 CA VAL A 33 -4.472 -7.851 -3.970 1.00 0.00 C ATOM 507 C VAL A 33 -3.471 -8.929 -4.366 1.00 0.00 C ATOM 508 O VAL A 33 -3.826 -10.101 -4.497 1.00 0.00 O ATOM 509 CB VAL A 33 -4.815 -6.996 -5.193 1.00 0.00 C ATOM 510 CG1 VAL A 33 -5.188 -7.905 -6.365 1.00 0.00 C ATOM 511 CG2 VAL A 33 -5.997 -6.083 -4.862 1.00 0.00 C ATOM 0 H VAL A 33 -3.859 -6.019 -3.149 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.375 -8.334 -3.597 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.951 -6.390 -5.464 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.432 -7.295 -7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.347 -8.556 -6.603 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.052 -8.512 -6.094 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.241 -5.474 -5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.860 -6.690 -4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.732 -5.433 -4.028 1.00 0.00 H new ATOM 521 N LEU A 34 -2.217 -8.523 -4.554 1.00 0.00 N ATOM 522 CA LEU A 34 -1.175 -9.469 -4.940 1.00 0.00 C ATOM 523 C LEU A 34 -1.025 -10.564 -3.891 1.00 0.00 C ATOM 524 O LEU A 34 -1.062 -11.752 -4.213 1.00 0.00 O ATOM 525 CB LEU A 34 0.158 -8.731 -5.096 1.00 0.00 C ATOM 526 CG LEU A 34 0.071 -7.759 -6.273 1.00 0.00 C ATOM 527 CD1 LEU A 34 1.005 -6.573 -6.028 1.00 0.00 C ATOM 528 CD2 LEU A 34 0.486 -8.477 -7.558 1.00 0.00 C ATOM 0 H LEU A 34 -1.902 -7.559 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.459 -9.927 -5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.395 -8.189 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.964 -9.446 -5.260 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.953 -7.399 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.942 -5.881 -6.868 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.710 -6.061 -5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.030 -6.931 -5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.424 -7.785 -8.398 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.510 -8.837 -7.459 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.180 -9.322 -7.734 1.00 0.00 H new ATOM 540 N ALA A 35 -0.878 -10.163 -2.635 1.00 0.00 N ATOM 541 CA ALA A 35 -0.733 -11.117 -1.542 1.00 0.00 C ATOM 542 C ALA A 35 -1.950 -12.041 -1.484 1.00 0.00 C ATOM 543 O ALA A 35 -1.842 -13.201 -1.092 1.00 0.00 O ATOM 544 CB ALA A 35 -0.577 -10.382 -0.216 1.00 0.00 C ATOM 0 H ALA A 35 -0.856 -9.185 -2.347 1.00 0.00 H new ATOM 0 HA ALA A 35 0.160 -11.716 -1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.470 -11.107 0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.308 -9.747 -0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.458 -9.766 -0.036 1.00 0.00 H new ATOM 550 N LEU A 36 -3.109 -11.504 -1.854 1.00 0.00 N ATOM 551 CA LEU A 36 -4.340 -12.285 -1.836 1.00 0.00 C ATOM 552 C LEU A 36 -4.333 -13.334 -2.940 1.00 0.00 C ATOM 553 O LEU A 36 -4.564 -14.517 -2.689 1.00 0.00 O ATOM 554 CB LEU A 36 -5.546 -11.360 -2.012 1.00 0.00 C ATOM 555 CG LEU A 36 -6.410 -11.398 -0.750 1.00 0.00 C ATOM 556 CD1 LEU A 36 -7.481 -10.308 -0.831 1.00 0.00 C ATOM 557 CD2 LEU A 36 -7.084 -12.768 -0.636 1.00 0.00 C ATOM 0 H LEU A 36 -3.221 -10.540 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.408 -12.794 -0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.210 -10.341 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.133 -11.671 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.783 -11.226 0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.097 -10.335 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.002 -9.332 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.109 -10.479 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.700 -12.797 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.711 -12.939 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.322 -13.545 -0.578 1.00 0.00 H new ATOM 569 N LEU A 37 -4.065 -12.894 -4.165 1.00 0.00 N ATOM 570 CA LEU A 37 -4.031 -13.805 -5.304 1.00 0.00 C ATOM 571 C LEU A 37 -2.968 -14.879 -5.096 1.00 0.00 C ATOM 572 O LEU A 37 -3.164 -16.037 -5.467 1.00 0.00 O ATOM 573 CB LEU A 37 -3.729 -13.026 -6.585 1.00 0.00 C ATOM 574 CG LEU A 37 -4.789 -13.347 -7.640 1.00 0.00 C ATOM 575 CD1 LEU A 37 -4.502 -12.549 -8.913 1.00 0.00 C ATOM 576 CD2 LEU A 37 -4.752 -14.843 -7.959 1.00 0.00 C ATOM 0 H LEU A 37 -3.869 -11.919 -4.394 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.005 -14.286 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.719 -11.956 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.739 -13.288 -6.958 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.774 -13.079 -7.258 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.258 -12.778 -9.664 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.526 -11.483 -8.687 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.517 -12.816 -9.296 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.507 -15.074 -8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.766 -15.109 -8.341 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.956 -15.413 -7.053 1.00 0.00 H new ATOM 588 N SER A 38 -1.847 -14.489 -4.499 1.00 0.00 N ATOM 589 CA SER A 38 -0.760 -15.431 -4.248 1.00 0.00 C ATOM 590 C SER A 38 -1.217 -16.529 -3.291 1.00 0.00 C ATOM 591 O SER A 38 -1.006 -17.714 -3.550 1.00 0.00 O ATOM 592 CB SER A 38 0.437 -14.696 -3.645 1.00 0.00 C ATOM 593 OG SER A 38 0.664 -15.172 -2.324 1.00 0.00 O ATOM 0 H SER A 38 -1.667 -13.536 -4.182 1.00 0.00 H new ATOM 0 HA SER A 38 -0.469 -15.885 -5.195 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.323 -14.856 -4.259 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.249 -13.622 -3.630 1.00 0.00 H new ATOM 0 HG SER A 38 1.432 -14.704 -1.935 1.00 0.00 H new ATOM 599 N HIS A 39 -1.849 -16.128 -2.194 1.00 0.00 N ATOM 600 CA HIS A 39 -2.332 -17.089 -1.208 1.00 0.00 C ATOM 601 C HIS A 39 -3.277 -18.093 -1.864 1.00 0.00 C ATOM 602 O HIS A 39 -3.201 -19.294 -1.601 1.00 0.00 O ATOM 603 CB HIS A 39 -3.068 -16.358 -0.084 1.00 0.00 C ATOM 604 CG HIS A 39 -3.629 -17.362 0.884 1.00 0.00 C ATOM 605 ND1 HIS A 39 -4.680 -18.241 0.788 1.00 0.00 N flip ATOM 606 CD2 HIS A 39 -3.093 -17.552 2.148 1.00 0.00 C flip ATOM 607 CE1 HIS A 39 -4.796 -18.964 1.971 1.00 0.00 C flip ATOM 608 NE2 HIS A 39 -3.816 -18.510 2.757 1.00 0.00 N flip ATOM 0 H HIS A 39 -2.038 -15.152 -1.965 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.476 -17.622 -0.795 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.386 -15.681 0.432 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.871 -15.748 -0.497 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.248 -17.026 2.568 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.523 -19.728 2.204 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -3.638 -18.848 3.703 1.00 0.00 H new ATOM 616 N ARG A 40 -4.164 -17.595 -2.719 1.00 0.00 N ATOM 617 CA ARG A 40 -5.117 -18.460 -3.407 1.00 0.00 C ATOM 618 C ARG A 40 -4.390 -19.425 -4.337 1.00 0.00 C ATOM 619 O ARG A 40 -4.743 -20.602 -4.425 1.00 0.00 O ATOM 620 CB ARG A 40 -6.100 -17.612 -4.214 1.00 0.00 C ATOM 621 CG ARG A 40 -7.143 -17.004 -3.274 1.00 0.00 C ATOM 622 CD ARG A 40 -8.106 -16.127 -4.077 1.00 0.00 C ATOM 623 NE ARG A 40 -9.299 -16.885 -4.435 1.00 0.00 N ATOM 624 CZ ARG A 40 -10.196 -17.231 -3.516 1.00 0.00 C ATOM 625 NH1 ARG A 40 -10.016 -16.891 -2.270 1.00 0.00 N ATOM 626 NH2 ARG A 40 -11.256 -17.910 -3.862 1.00 0.00 N ATOM 0 H ARG A 40 -4.243 -16.605 -2.951 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.663 -19.037 -2.660 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.566 -16.822 -4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.590 -18.225 -4.970 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.694 -17.795 -2.765 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.651 -16.411 -2.503 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.385 -15.251 -3.492 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.613 -15.764 -4.979 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.448 -17.155 -5.407 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.188 -16.360 -2.001 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.703 -17.156 -1.565 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.396 -18.175 -4.837 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.944 -18.175 -3.157 1.00 0.00 H new ATOM 640 N ARG A 41 -3.375 -18.920 -5.031 1.00 0.00 N ATOM 641 CA ARG A 41 -2.604 -19.747 -5.955 1.00 0.00 C ATOM 642 C ARG A 41 -1.898 -20.871 -5.202 1.00 0.00 C ATOM 643 O ARG A 41 -1.854 -22.010 -5.667 1.00 0.00 O ATOM 644 CB ARG A 41 -1.573 -18.890 -6.686 1.00 0.00 C ATOM 645 CG ARG A 41 -1.544 -19.277 -8.166 1.00 0.00 C ATOM 646 CD ARG A 41 -0.269 -18.735 -8.811 1.00 0.00 C ATOM 647 NE ARG A 41 -0.233 -17.281 -8.717 1.00 0.00 N ATOM 648 CZ ARG A 41 0.808 -16.588 -9.169 1.00 0.00 C ATOM 649 NH1 ARG A 41 1.821 -17.210 -9.710 1.00 0.00 N ATOM 650 NH2 ARG A 41 0.815 -15.287 -9.075 1.00 0.00 N ATOM 0 H ARG A 41 -3.068 -17.949 -4.973 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.288 -20.186 -6.681 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.822 -17.834 -6.580 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.587 -19.031 -6.243 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.584 -20.361 -8.270 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.420 -18.876 -8.675 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.605 -19.160 -8.318 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.224 -19.040 -9.857 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.020 -16.786 -8.297 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.814 -18.227 -9.786 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.620 -16.679 -10.057 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.022 -14.802 -8.655 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.613 -14.755 -9.422 1.00 0.00 H new ATOM 664 N THR A 42 -1.347 -20.541 -4.038 1.00 0.00 N ATOM 665 CA THR A 42 -0.645 -21.533 -3.231 1.00 0.00 C ATOM 666 C THR A 42 -1.603 -22.641 -2.796 1.00 0.00 C ATOM 667 O THR A 42 -1.254 -23.821 -2.828 1.00 0.00 O ATOM 668 CB THR A 42 -0.042 -20.865 -1.993 1.00 0.00 C ATOM 669 OG1 THR A 42 0.416 -19.564 -2.335 1.00 0.00 O ATOM 670 CG2 THR A 42 1.130 -21.702 -1.479 1.00 0.00 C ATOM 0 H THR A 42 -1.372 -19.604 -3.636 1.00 0.00 H new ATOM 0 HA THR A 42 0.152 -21.969 -3.834 1.00 0.00 H new ATOM 0 HB THR A 42 -0.801 -20.790 -1.214 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.349 -18.955 -2.401 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.559 -21.225 -0.597 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.777 -22.700 -1.217 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.891 -21.779 -2.256 1.00 0.00 H new ATOM 678 N LEU A 43 -2.806 -22.252 -2.390 1.00 0.00 N ATOM 679 CA LEU A 43 -3.802 -23.220 -1.951 1.00 0.00 C ATOM 680 C LEU A 43 -4.181 -24.156 -3.095 1.00 0.00 C ATOM 681 O LEU A 43 -4.305 -25.371 -2.904 1.00 0.00 O ATOM 682 CB LEU A 43 -5.053 -22.494 -1.449 1.00 0.00 C ATOM 683 CG LEU A 43 -5.351 -22.924 -0.013 1.00 0.00 C ATOM 684 CD1 LEU A 43 -6.550 -22.135 0.519 1.00 0.00 C ATOM 685 CD2 LEU A 43 -5.674 -24.420 0.015 1.00 0.00 C ATOM 0 H LEU A 43 -3.113 -21.280 -2.356 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.374 -23.809 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.903 -21.415 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.902 -22.724 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.480 -22.727 0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.762 -22.442 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.322 -21.069 0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.421 -22.331 -0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.887 -24.727 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.545 -24.616 -0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.821 -24.984 -0.363 1.00 0.00 H new ATOM 697 N GLN A 44 -4.362 -23.588 -4.282 1.00 0.00 N ATOM 698 CA GLN A 44 -4.726 -24.381 -5.451 1.00 0.00 C ATOM 699 C GLN A 44 -3.640 -25.407 -5.760 1.00 0.00 C ATOM 700 O GLN A 44 -3.932 -26.569 -6.040 1.00 0.00 O ATOM 701 CB GLN A 44 -4.926 -23.468 -6.661 1.00 0.00 C ATOM 702 CG GLN A 44 -6.319 -22.837 -6.601 1.00 0.00 C ATOM 703 CD GLN A 44 -7.380 -23.889 -6.910 1.00 0.00 C ATOM 704 OE1 GLN A 44 -7.587 -24.241 -8.071 1.00 0.00 O ATOM 705 NE2 GLN A 44 -8.071 -24.412 -5.933 1.00 0.00 N ATOM 0 H GLN A 44 -4.264 -22.589 -4.460 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.657 -24.906 -5.235 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.163 -22.690 -6.672 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.813 -24.039 -7.583 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.493 -22.412 -5.612 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.388 -22.018 -7.317 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.898 -24.119 -4.972 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.784 -25.114 -6.131 1.00 0.00 H new ATOM 714 N GLN A 45 -2.387 -24.970 -5.705 1.00 0.00 N ATOM 715 CA GLN A 45 -1.266 -25.860 -5.981 1.00 0.00 C ATOM 716 C GLN A 45 -1.246 -27.022 -4.995 1.00 0.00 C ATOM 717 O GLN A 45 -1.116 -28.181 -5.387 1.00 0.00 O ATOM 718 CB GLN A 45 0.052 -25.085 -5.886 1.00 0.00 C ATOM 719 CG GLN A 45 0.489 -24.647 -7.285 1.00 0.00 C ATOM 720 CD GLN A 45 -0.575 -23.748 -7.906 1.00 0.00 C ATOM 721 OE1 GLN A 45 -0.469 -22.524 -7.843 1.00 0.00 O ATOM 722 NE2 GLN A 45 -1.602 -24.287 -8.506 1.00 0.00 N ATOM 0 H GLN A 45 -2.123 -24.012 -5.474 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.383 -26.257 -6.989 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.072 -24.214 -5.243 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.821 -25.710 -5.432 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.439 -24.115 -7.228 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.651 -25.522 -7.915 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.688 -25.302 -8.557 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.318 -23.693 -8.924 1.00 0.00 H new ATOM 731 N LYS A 46 -1.378 -26.702 -3.711 1.00 0.00 N ATOM 732 CA LYS A 46 -1.374 -27.730 -2.676 1.00 0.00 C ATOM 733 C LYS A 46 -2.326 -28.863 -3.039 1.00 0.00 C ATOM 734 O LYS A 46 -1.971 -30.039 -2.947 1.00 0.00 O ATOM 735 CB LYS A 46 -1.792 -27.121 -1.334 1.00 0.00 C ATOM 736 CG LYS A 46 -1.098 -27.870 -0.195 1.00 0.00 C ATOM 737 CD LYS A 46 -1.527 -27.269 1.146 1.00 0.00 C ATOM 738 CE LYS A 46 -0.341 -27.281 2.113 1.00 0.00 C ATOM 739 NZ LYS A 46 -0.799 -26.857 3.467 1.00 0.00 N ATOM 0 H LYS A 46 -1.488 -25.749 -3.365 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.364 -28.132 -2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.526 -26.064 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.874 -27.181 -1.217 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.356 -28.928 -0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.016 -27.802 -0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.882 -26.249 1.002 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.356 -27.840 1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.093 -28.280 2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.440 -26.611 1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.007 -26.865 4.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.194 -25.896 3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.530 -27.514 3.808 1.00 0.00 H new ATOM 753 N ILE A 47 -3.537 -28.502 -3.452 1.00 0.00 N ATOM 754 CA ILE A 47 -4.533 -29.499 -3.826 1.00 0.00 C ATOM 755 C ILE A 47 -4.294 -29.988 -5.251 1.00 0.00 C ATOM 756 O ILE A 47 -4.640 -31.119 -5.593 1.00 0.00 O ATOM 757 CB ILE A 47 -5.936 -28.900 -3.717 1.00 0.00 C ATOM 758 CG1 ILE A 47 -6.410 -28.977 -2.263 1.00 0.00 C ATOM 759 CG2 ILE A 47 -6.899 -29.687 -4.607 1.00 0.00 C ATOM 760 CD1 ILE A 47 -5.409 -28.252 -1.361 1.00 0.00 C ATOM 0 H ILE A 47 -3.850 -27.535 -3.536 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.446 -30.346 -3.146 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.912 -27.859 -4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.397 -28.524 -2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.505 -30.018 -1.955 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.899 -29.259 -4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.562 -29.635 -5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.923 -30.728 -4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.746 -28.307 -0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.431 -28.725 -1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.336 -27.208 -1.664 1.00 0.00 H new ATOM 772 N TRP A 48 -3.707 -29.127 -6.076 1.00 0.00 N ATOM 773 CA TRP A 48 -3.428 -29.484 -7.462 1.00 0.00 C ATOM 774 C TRP A 48 -1.990 -29.133 -7.828 1.00 0.00 C ATOM 775 O TRP A 48 -1.734 -28.166 -8.545 1.00 0.00 O ATOM 776 CB TRP A 48 -4.389 -28.740 -8.393 1.00 0.00 C ATOM 777 CG TRP A 48 -5.574 -29.604 -8.681 1.00 0.00 C ATOM 778 CD1 TRP A 48 -6.857 -29.275 -8.411 1.00 0.00 C ATOM 779 CD2 TRP A 48 -5.609 -30.929 -9.285 1.00 0.00 C ATOM 780 NE1 TRP A 48 -7.679 -30.315 -8.811 1.00 0.00 N ATOM 781 CE2 TRP A 48 -6.956 -31.357 -9.355 1.00 0.00 C ATOM 782 CE3 TRP A 48 -4.612 -31.794 -9.773 1.00 0.00 C ATOM 783 CZ2 TRP A 48 -7.303 -32.598 -9.893 1.00 0.00 C ATOM 784 CZ3 TRP A 48 -4.959 -33.044 -10.313 1.00 0.00 C ATOM 785 CH2 TRP A 48 -6.300 -33.444 -10.374 1.00 0.00 C ATOM 0 H TRP A 48 -3.418 -28.185 -5.812 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.567 -30.559 -7.576 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.710 -27.807 -7.931 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.882 -28.478 -9.322 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -7.187 -28.352 -7.958 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -8.694 -30.311 -8.715 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.575 -31.496 -9.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -8.338 -32.902 -9.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.186 -33.701 -10.684 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -6.559 -34.405 -10.792 1.00 0.00 H new ATOM 796 N PRO A 49 -1.052 -29.899 -7.339 1.00 0.00 N ATOM 797 CA PRO A 49 0.397 -29.676 -7.612 1.00 0.00 C ATOM 798 C PRO A 49 0.801 -30.142 -9.006 1.00 0.00 C ATOM 799 O PRO A 49 1.262 -31.266 -9.124 1.00 0.00 O ATOM 800 CB PRO A 49 1.097 -30.501 -6.533 1.00 0.00 C ATOM 801 CG PRO A 49 0.131 -31.588 -6.172 1.00 0.00 C ATOM 802 CD PRO A 49 -1.270 -31.068 -6.477 1.00 0.00 C ATOM 0 HA PRO A 49 0.661 -28.619 -7.585 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.035 -30.916 -6.903 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.340 -29.887 -5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.338 -32.492 -6.744 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.223 -31.850 -5.118 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.873 -31.824 -6.980 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.799 -30.794 -5.564 1.00 0.00 H new TER 810 PRO A 49