USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 589 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 4 THR OG1 : rot -70:sc= 0.832 USER MOD Set 1.2: A 7 THR OG1 : rot 130:sc= 0.543 USER MOD Single : A 3 TYR OH : rot -39:sc= -0.0857 USER MOD Single : A 10 LYS NZ :NH3+ 165:sc= -0.769 (180deg=-1.36!) USER MOD Single : A 12 THR OG1 : rot 20:sc= -2.32! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.117 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -5.68! C(o=-5.7!,f=-5.8!) USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= -0.0558 (180deg=-0.475) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0048 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -3.13! C(o=-3.1!,f=-6.2!) USER MOD Single : A 50 HIS : no HE2:sc= -2.36 X(o=-2.4,f=-2.8!) USER MOD Single : A 53 THR OG1 : rot -170:sc= -0.098 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 3 -16.322 -15.081 -9.897 1.00 0.00 N ATOM 38 CA TYR A 3 -15.740 -14.182 -8.910 1.00 0.00 C ATOM 39 C TYR A 3 -16.297 -14.504 -7.533 1.00 0.00 C ATOM 40 O TYR A 3 -17.493 -14.749 -7.379 1.00 0.00 O ATOM 41 CB TYR A 3 -16.063 -12.729 -9.268 1.00 0.00 C ATOM 42 CG TYR A 3 -15.554 -12.431 -10.659 1.00 0.00 C ATOM 43 CD1 TYR A 3 -14.181 -12.286 -10.892 1.00 0.00 C ATOM 44 CD2 TYR A 3 -16.459 -12.314 -11.721 1.00 0.00 C ATOM 45 CE1 TYR A 3 -13.717 -12.023 -12.185 1.00 0.00 C ATOM 46 CE2 TYR A 3 -15.994 -12.053 -13.014 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.621 -11.908 -13.246 1.00 0.00 C ATOM 48 OH TYR A 3 -14.162 -11.652 -14.521 1.00 0.00 O ATOM 0 HA TYR A 3 -14.658 -14.315 -8.904 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -17.139 -12.561 -9.219 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.602 -12.054 -8.547 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -13.481 -12.377 -10.074 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -17.518 -12.426 -11.541 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.658 -11.908 -12.365 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -16.693 -11.963 -13.832 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.422 -11.010 -14.480 1.00 0.00 H new ATOM 58 N THR A 4 -15.423 -14.514 -6.528 1.00 0.00 N ATOM 59 CA THR A 4 -15.845 -14.826 -5.159 1.00 0.00 C ATOM 60 C THR A 4 -15.201 -13.849 -4.172 1.00 0.00 C ATOM 61 O THR A 4 -14.148 -13.275 -4.453 1.00 0.00 O ATOM 62 CB THR A 4 -15.450 -16.279 -4.801 1.00 0.00 C ATOM 63 OG1 THR A 4 -14.439 -16.272 -3.803 1.00 0.00 O ATOM 64 CG2 THR A 4 -14.930 -17.008 -6.048 1.00 0.00 C ATOM 0 H THR A 4 -14.428 -14.312 -6.631 1.00 0.00 H new ATOM 0 HA THR A 4 -16.929 -14.727 -5.094 1.00 0.00 H new ATOM 0 HB THR A 4 -16.331 -16.798 -4.423 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.602 -15.939 -4.188 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.655 -18.029 -5.784 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.709 -17.027 -6.810 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.056 -16.486 -6.437 1.00 0.00 H new ATOM 72 N PRO A 5 -15.811 -13.649 -3.030 1.00 0.00 N ATOM 73 CA PRO A 5 -15.284 -12.720 -1.988 1.00 0.00 C ATOM 74 C PRO A 5 -13.984 -13.225 -1.365 1.00 0.00 C ATOM 75 O PRO A 5 -13.207 -12.444 -0.821 1.00 0.00 O ATOM 76 CB PRO A 5 -16.415 -12.661 -0.946 1.00 0.00 C ATOM 77 CG PRO A 5 -17.158 -13.947 -1.116 1.00 0.00 C ATOM 78 CD PRO A 5 -17.067 -14.289 -2.602 1.00 0.00 C ATOM 0 HA PRO A 5 -15.031 -11.743 -2.401 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -16.017 -12.564 0.064 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -17.065 -11.803 -1.116 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -16.718 -14.736 -0.506 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -18.197 -13.843 -0.802 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -17.043 -15.367 -2.764 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -17.923 -13.902 -3.155 1.00 0.00 H new ATOM 86 N ASP A 6 -13.754 -14.537 -1.437 1.00 0.00 N ATOM 87 CA ASP A 6 -12.541 -15.129 -0.869 1.00 0.00 C ATOM 88 C ASP A 6 -11.966 -16.176 -1.810 1.00 0.00 C ATOM 89 O ASP A 6 -12.372 -17.337 -1.781 1.00 0.00 O ATOM 90 CB ASP A 6 -12.868 -15.776 0.476 1.00 0.00 C ATOM 91 CG ASP A 6 -11.599 -16.334 1.109 1.00 0.00 C ATOM 92 OD1 ASP A 6 -10.575 -16.330 0.444 1.00 0.00 O ATOM 93 OD2 ASP A 6 -11.668 -16.760 2.251 1.00 0.00 O ATOM 0 H ASP A 6 -14.385 -15.205 -1.879 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.801 -14.341 -0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -13.323 -15.042 1.141 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -13.596 -16.575 0.337 1.00 0.00 H new ATOM 98 N THR A 7 -11.018 -15.766 -2.648 1.00 0.00 N ATOM 99 CA THR A 7 -10.395 -16.692 -3.593 1.00 0.00 C ATOM 100 C THR A 7 -8.894 -16.428 -3.666 1.00 0.00 C ATOM 101 O THR A 7 -8.466 -15.288 -3.842 1.00 0.00 O ATOM 102 CB THR A 7 -11.035 -16.514 -4.984 1.00 0.00 C ATOM 103 OG1 THR A 7 -12.347 -15.994 -4.831 1.00 0.00 O ATOM 104 CG2 THR A 7 -11.127 -17.862 -5.704 1.00 0.00 C ATOM 0 H THR A 7 -10.666 -14.810 -2.694 1.00 0.00 H new ATOM 0 HA THR A 7 -10.553 -17.716 -3.255 1.00 0.00 H new ATOM 0 HB THR A 7 -10.418 -15.832 -5.569 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.462 -15.218 -5.419 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.581 -17.720 -6.685 1.00 0.00 H new ATOM 0 HG22 THR A 7 -10.127 -18.280 -5.824 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.738 -18.547 -5.117 1.00 0.00 H new ATOM 112 N ALA A 8 -8.101 -17.485 -3.546 1.00 0.00 N ATOM 113 CA ALA A 8 -6.646 -17.355 -3.616 1.00 0.00 C ATOM 114 C ALA A 8 -6.185 -17.605 -5.044 1.00 0.00 C ATOM 115 O ALA A 8 -6.113 -18.749 -5.493 1.00 0.00 O ATOM 116 CB ALA A 8 -5.986 -18.368 -2.679 1.00 0.00 C ATOM 0 H ALA A 8 -8.435 -18.438 -3.401 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.360 -16.349 -3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.902 -18.265 -2.737 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.314 -18.185 -1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.271 -19.377 -2.976 1.00 0.00 H new ATOM 122 N TRP A 9 -5.885 -16.525 -5.765 1.00 0.00 N ATOM 123 CA TRP A 9 -5.443 -16.632 -7.157 1.00 0.00 C ATOM 124 C TRP A 9 -3.934 -16.464 -7.244 1.00 0.00 C ATOM 125 O TRP A 9 -3.336 -15.704 -6.480 1.00 0.00 O ATOM 126 CB TRP A 9 -6.130 -15.555 -8.017 1.00 0.00 C ATOM 127 CG TRP A 9 -7.529 -15.975 -8.364 1.00 0.00 C ATOM 128 CD1 TRP A 9 -8.264 -16.893 -7.693 1.00 0.00 C ATOM 129 CD2 TRP A 9 -8.367 -15.514 -9.461 1.00 0.00 C ATOM 130 NE1 TRP A 9 -9.495 -17.015 -8.302 1.00 0.00 N ATOM 131 CE2 TRP A 9 -9.610 -16.185 -9.394 1.00 0.00 C ATOM 132 CE3 TRP A 9 -8.176 -14.581 -10.493 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -10.622 -15.949 -10.321 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.191 -14.337 -11.428 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.415 -15.016 -11.340 1.00 0.00 C ATOM 0 H TRP A 9 -5.939 -15.570 -5.411 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.716 -17.619 -7.531 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.151 -14.608 -7.477 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.557 -15.389 -8.929 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -7.939 -17.441 -6.821 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -10.231 -17.644 -7.982 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.240 -14.047 -10.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.559 -16.482 -10.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.030 -13.622 -12.221 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.196 -14.818 -12.059 1.00 0.00 H new ATOM 146 N LYS A 10 -3.322 -17.179 -8.183 1.00 0.00 N ATOM 147 CA LYS A 10 -1.875 -17.110 -8.378 1.00 0.00 C ATOM 148 C LYS A 10 -1.557 -16.250 -9.592 1.00 0.00 C ATOM 149 O LYS A 10 -2.112 -16.450 -10.670 1.00 0.00 O ATOM 150 CB LYS A 10 -1.308 -18.515 -8.570 1.00 0.00 C ATOM 151 CG LYS A 10 0.221 -18.442 -8.614 1.00 0.00 C ATOM 152 CD LYS A 10 0.819 -19.854 -8.552 1.00 0.00 C ATOM 153 CE LYS A 10 0.686 -20.552 -9.909 1.00 0.00 C ATOM 154 NZ LYS A 10 1.303 -19.708 -10.970 1.00 0.00 N ATOM 0 H LYS A 10 -3.804 -17.813 -8.821 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.418 -16.661 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.629 -19.164 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.689 -18.951 -9.494 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.543 -17.942 -9.528 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.588 -17.846 -7.779 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.869 -19.798 -8.266 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.310 -20.438 -7.785 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.173 -21.527 -9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.365 -20.728 -10.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.442 -20.277 -11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.677 -18.906 -11.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.222 -19.351 -10.639 1.00 0.00 H new ATOM 168 N ILE A 11 -0.673 -15.279 -9.405 1.00 0.00 N ATOM 169 CA ILE A 11 -0.301 -14.375 -10.484 1.00 0.00 C ATOM 170 C ILE A 11 0.737 -15.029 -11.389 1.00 0.00 C ATOM 171 O ILE A 11 1.798 -15.448 -10.925 1.00 0.00 O ATOM 172 CB ILE A 11 0.281 -13.082 -9.900 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.624 -12.562 -8.778 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.362 -12.017 -10.998 1.00 0.00 C ATOM 175 CD1 ILE A 11 0.098 -11.451 -8.014 1.00 0.00 C ATOM 0 H ILE A 11 -0.202 -15.098 -8.519 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.192 -14.146 -11.069 1.00 0.00 H new ATOM 0 HB ILE A 11 1.275 -13.289 -9.504 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.557 -12.184 -9.195 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.884 -13.375 -8.100 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.776 -11.098 -10.583 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.004 -12.373 -11.803 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.636 -11.821 -11.390 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.545 -11.081 -7.216 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.019 -11.844 -7.584 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.335 -10.635 -8.697 1.00 0.00 H new ATOM 187 N THR A 12 0.428 -15.113 -12.683 1.00 0.00 N ATOM 188 CA THR A 12 1.348 -15.719 -13.651 1.00 0.00 C ATOM 189 C THR A 12 1.902 -14.659 -14.600 1.00 0.00 C ATOM 190 O THR A 12 2.890 -14.893 -15.296 1.00 0.00 O ATOM 191 CB THR A 12 0.609 -16.796 -14.453 1.00 0.00 C ATOM 192 OG1 THR A 12 -0.671 -16.309 -14.822 1.00 0.00 O ATOM 193 CG2 THR A 12 0.445 -18.055 -13.600 1.00 0.00 C ATOM 0 H THR A 12 -0.445 -14.772 -13.085 1.00 0.00 H new ATOM 0 HA THR A 12 2.180 -16.170 -13.111 1.00 0.00 H new ATOM 0 HB THR A 12 1.184 -17.039 -15.347 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.678 -15.331 -14.765 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.081 -18.818 -14.174 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.427 -18.430 -13.312 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.128 -17.816 -12.704 1.00 0.00 H new ATOM 201 N GLY A 13 1.262 -13.489 -14.619 1.00 0.00 N ATOM 202 CA GLY A 13 1.698 -12.390 -15.484 1.00 0.00 C ATOM 203 C GLY A 13 0.505 -11.663 -16.090 1.00 0.00 C ATOM 204 O GLY A 13 -0.646 -12.034 -15.862 1.00 0.00 O ATOM 0 H GLY A 13 0.443 -13.278 -14.048 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.302 -11.688 -14.909 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.333 -12.779 -16.280 1.00 0.00 H new ATOM 208 N PHE A 14 0.792 -10.621 -16.867 1.00 0.00 N ATOM 209 CA PHE A 14 -0.255 -9.834 -17.516 1.00 0.00 C ATOM 210 C PHE A 14 -0.427 -10.283 -18.968 1.00 0.00 C ATOM 211 O PHE A 14 0.513 -10.776 -19.592 1.00 0.00 O ATOM 212 CB PHE A 14 0.114 -8.346 -17.465 1.00 0.00 C ATOM 213 CG PHE A 14 1.611 -8.190 -17.570 1.00 0.00 C ATOM 214 CD1 PHE A 14 2.401 -8.295 -16.421 1.00 0.00 C ATOM 215 CD2 PHE A 14 2.208 -7.925 -18.807 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.787 -8.136 -16.505 1.00 0.00 C ATOM 217 CE2 PHE A 14 3.595 -7.771 -18.895 1.00 0.00 C ATOM 218 CZ PHE A 14 4.386 -7.874 -17.743 1.00 0.00 C ATOM 0 H PHE A 14 1.741 -10.302 -17.063 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.197 -9.988 -16.989 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.375 -7.812 -18.280 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.243 -7.904 -16.535 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.939 -8.499 -15.466 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.598 -7.839 -19.694 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.395 -8.215 -15.616 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.057 -7.573 -19.851 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.457 -7.751 -17.810 1.00 0.00 H new ATOM 228 N SER A 15 -1.636 -10.110 -19.496 1.00 0.00 N ATOM 229 CA SER A 15 -1.928 -10.502 -20.872 1.00 0.00 C ATOM 230 C SER A 15 -1.428 -9.441 -21.846 1.00 0.00 C ATOM 231 O SER A 15 -1.058 -8.345 -21.440 1.00 0.00 O ATOM 232 CB SER A 15 -3.434 -10.687 -21.049 1.00 0.00 C ATOM 233 OG SER A 15 -3.680 -11.481 -22.201 1.00 0.00 O ATOM 0 H SER A 15 -2.426 -9.703 -18.995 1.00 0.00 H new ATOM 0 HA SER A 15 -1.417 -11.442 -21.081 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.859 -11.165 -20.167 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.921 -9.717 -21.151 1.00 0.00 H new ATOM 0 HG SER A 15 -4.646 -11.602 -22.315 1.00 0.00 H new ATOM 239 N ARG A 16 -1.420 -9.774 -23.128 1.00 0.00 N ATOM 240 CA ARG A 16 -0.969 -8.832 -24.143 1.00 0.00 C ATOM 241 C ARG A 16 -1.951 -7.670 -24.274 1.00 0.00 C ATOM 242 O ARG A 16 -1.550 -6.518 -24.439 1.00 0.00 O ATOM 243 CB ARG A 16 -0.828 -9.543 -25.485 1.00 0.00 C ATOM 244 CG ARG A 16 0.364 -10.497 -25.428 1.00 0.00 C ATOM 245 CD ARG A 16 0.458 -11.261 -26.750 1.00 0.00 C ATOM 246 NE ARG A 16 0.708 -10.325 -27.848 1.00 0.00 N ATOM 247 CZ ARG A 16 -0.208 -10.050 -28.786 1.00 0.00 C ATOM 248 NH1 ARG A 16 -1.405 -10.584 -28.745 1.00 0.00 N ATOM 249 NH2 ARG A 16 0.090 -9.223 -29.747 1.00 0.00 N ATOM 0 H ARG A 16 -1.718 -10.681 -23.489 1.00 0.00 H new ATOM 0 HA ARG A 16 0.000 -8.435 -23.840 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.739 -10.095 -25.715 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.687 -8.814 -26.283 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.284 -9.939 -25.250 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.248 -11.194 -24.598 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.260 -11.998 -26.698 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.467 -11.809 -26.930 1.00 0.00 H new ATOM 0 HE ARG A 16 1.616 -9.864 -27.901 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.653 -11.222 -27.989 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.088 -10.361 -29.469 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.014 -8.792 -29.780 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.600 -9.007 -30.466 1.00 0.00 H new ATOM 263 N GLU A 17 -3.241 -7.983 -24.197 1.00 0.00 N ATOM 264 CA GLU A 17 -4.278 -6.965 -24.304 1.00 0.00 C ATOM 265 C GLU A 17 -4.190 -5.987 -23.143 1.00 0.00 C ATOM 266 O GLU A 17 -4.762 -4.897 -23.192 1.00 0.00 O ATOM 267 CB GLU A 17 -5.655 -7.628 -24.293 1.00 0.00 C ATOM 268 CG GLU A 17 -5.877 -8.401 -25.595 1.00 0.00 C ATOM 269 CD GLU A 17 -5.949 -7.438 -26.778 1.00 0.00 C ATOM 270 OE1 GLU A 17 -6.744 -6.515 -26.717 1.00 0.00 O ATOM 271 OE2 GLU A 17 -5.208 -7.640 -27.725 1.00 0.00 O ATOM 0 H GLU A 17 -3.591 -8.931 -24.061 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.133 -6.423 -25.239 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.735 -8.304 -23.442 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.431 -6.871 -24.173 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.066 -9.113 -25.746 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.800 -8.978 -25.530 1.00 0.00 H new ATOM 278 N ILE A 18 -3.483 -6.387 -22.095 1.00 0.00 N ATOM 279 CA ILE A 18 -3.337 -5.542 -20.918 1.00 0.00 C ATOM 280 C ILE A 18 -3.098 -4.093 -21.328 1.00 0.00 C ATOM 281 O ILE A 18 -2.496 -3.826 -22.368 1.00 0.00 O ATOM 282 CB ILE A 18 -2.165 -6.037 -20.068 1.00 0.00 C ATOM 283 CG1 ILE A 18 -2.140 -5.294 -18.727 1.00 0.00 C ATOM 284 CG2 ILE A 18 -0.852 -5.773 -20.812 1.00 0.00 C ATOM 285 CD1 ILE A 18 -3.397 -5.612 -17.905 1.00 0.00 C ATOM 0 H ILE A 18 -3.004 -7.286 -22.035 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.256 -5.594 -20.335 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.282 -7.105 -19.886 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.251 -5.579 -18.165 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.076 -4.220 -18.902 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.015 -6.125 -20.209 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.861 -6.303 -21.765 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.745 -4.703 -20.993 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.358 -5.074 -16.958 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.283 -5.304 -18.461 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.444 -6.684 -17.712 1.00 0.00 H new ATOM 297 N SER A 19 -3.580 -3.159 -20.514 1.00 0.00 N ATOM 298 CA SER A 19 -3.415 -1.745 -20.826 1.00 0.00 C ATOM 299 C SER A 19 -2.015 -1.259 -20.420 1.00 0.00 C ATOM 300 O SER A 19 -1.467 -1.729 -19.423 1.00 0.00 O ATOM 301 CB SER A 19 -4.470 -0.920 -20.090 1.00 0.00 C ATOM 302 OG SER A 19 -4.073 0.445 -20.082 1.00 0.00 O ATOM 0 H SER A 19 -4.081 -3.352 -19.646 1.00 0.00 H new ATOM 0 HA SER A 19 -3.536 -1.617 -21.902 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.439 -1.027 -20.579 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.586 -1.283 -19.069 1.00 0.00 H new ATOM 0 HG SER A 19 -4.747 0.979 -19.612 1.00 0.00 H new ATOM 308 N PRO A 20 -1.427 -0.327 -21.151 1.00 0.00 N ATOM 309 CA PRO A 20 -0.072 0.210 -20.807 1.00 0.00 C ATOM 310 C PRO A 20 0.043 0.631 -19.340 1.00 0.00 C ATOM 311 O PRO A 20 1.066 0.398 -18.698 1.00 0.00 O ATOM 312 CB PRO A 20 0.078 1.441 -21.722 1.00 0.00 C ATOM 313 CG PRO A 20 -0.812 1.177 -22.892 1.00 0.00 C ATOM 314 CD PRO A 20 -1.963 0.303 -22.381 1.00 0.00 C ATOM 0 HA PRO A 20 0.701 -0.545 -20.950 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.215 2.354 -21.204 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.113 1.572 -22.038 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.190 2.110 -23.309 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -0.265 0.671 -23.688 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.851 0.899 -22.168 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.251 -0.446 -23.118 1.00 0.00 H new ATOM 322 N ALA A 21 -1.003 1.269 -18.823 1.00 0.00 N ATOM 323 CA ALA A 21 -0.991 1.732 -17.439 1.00 0.00 C ATOM 324 C ALA A 21 -0.673 0.591 -16.477 1.00 0.00 C ATOM 325 O ALA A 21 0.276 0.672 -15.695 1.00 0.00 O ATOM 326 CB ALA A 21 -2.355 2.331 -17.086 1.00 0.00 C ATOM 0 H ALA A 21 -1.861 1.476 -19.335 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.214 2.490 -17.341 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.344 2.676 -16.052 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.565 3.172 -17.747 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.128 1.572 -17.207 1.00 0.00 H new ATOM 332 N TYR A 22 -1.466 -0.467 -16.540 1.00 0.00 N ATOM 333 CA TYR A 22 -1.265 -1.614 -15.665 1.00 0.00 C ATOM 334 C TYR A 22 0.099 -2.246 -15.922 1.00 0.00 C ATOM 335 O TYR A 22 0.855 -2.551 -14.992 1.00 0.00 O ATOM 336 CB TYR A 22 -2.368 -2.643 -15.914 1.00 0.00 C ATOM 337 CG TYR A 22 -2.201 -3.807 -14.970 1.00 0.00 C ATOM 338 CD1 TYR A 22 -1.258 -4.799 -15.252 1.00 0.00 C ATOM 339 CD2 TYR A 22 -2.990 -3.897 -13.816 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.096 -5.877 -14.381 1.00 0.00 C ATOM 341 CE2 TYR A 22 -2.829 -4.978 -12.943 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.882 -5.971 -13.226 1.00 0.00 C ATOM 343 OH TYR A 22 -1.720 -7.037 -12.366 1.00 0.00 O ATOM 0 H TYR A 22 -2.252 -0.557 -17.184 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.304 -1.280 -14.628 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.346 -2.184 -15.771 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.328 -2.991 -16.946 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.654 -4.731 -16.145 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.722 -3.133 -13.601 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.363 -6.640 -14.598 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.434 -5.047 -12.051 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.342 -6.948 -11.614 1.00 0.00 H new ATOM 353 N ARG A 23 0.411 -2.443 -17.193 1.00 0.00 N ATOM 354 CA ARG A 23 1.678 -3.045 -17.559 1.00 0.00 C ATOM 355 C ARG A 23 2.828 -2.221 -16.986 1.00 0.00 C ATOM 356 O ARG A 23 3.781 -2.767 -16.428 1.00 0.00 O ATOM 357 CB ARG A 23 1.797 -3.120 -19.080 1.00 0.00 C ATOM 358 CG ARG A 23 3.017 -3.963 -19.450 1.00 0.00 C ATOM 359 CD ARG A 23 3.224 -3.944 -20.966 1.00 0.00 C ATOM 360 NE ARG A 23 2.141 -4.649 -21.641 1.00 0.00 N ATOM 361 CZ ARG A 23 2.096 -4.736 -22.968 1.00 0.00 C ATOM 362 NH1 ARG A 23 3.026 -4.172 -23.692 1.00 0.00 N ATOM 363 NH2 ARG A 23 1.124 -5.384 -23.549 1.00 0.00 N ATOM 0 H ARG A 23 -0.190 -2.197 -17.979 1.00 0.00 H new ATOM 0 HA ARG A 23 1.725 -4.054 -17.149 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.895 -3.559 -19.506 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.892 -2.118 -19.499 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.904 -3.575 -18.948 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.879 -4.988 -19.106 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.270 -2.914 -21.319 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.178 -4.409 -21.214 1.00 0.00 H new ATOM 0 HE ARG A 23 1.404 -5.084 -21.086 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.787 -3.665 -23.240 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.991 -4.239 -24.709 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.397 -5.825 -22.986 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.091 -5.450 -24.566 1.00 0.00 H new ATOM 377 N GLN A 24 2.722 -0.904 -17.113 1.00 0.00 N ATOM 378 CA GLN A 24 3.751 -0.012 -16.593 1.00 0.00 C ATOM 379 C GLN A 24 3.898 -0.193 -15.087 1.00 0.00 C ATOM 380 O GLN A 24 5.010 -0.157 -14.559 1.00 0.00 O ATOM 381 CB GLN A 24 3.389 1.444 -16.905 1.00 0.00 C ATOM 382 CG GLN A 24 4.638 2.326 -16.809 1.00 0.00 C ATOM 383 CD GLN A 24 5.134 2.380 -15.368 1.00 0.00 C ATOM 384 OE1 GLN A 24 4.363 2.677 -14.455 1.00 0.00 O ATOM 385 NE2 GLN A 24 6.384 2.110 -15.106 1.00 0.00 N ATOM 0 H GLN A 24 1.940 -0.433 -17.568 1.00 0.00 H new ATOM 0 HA GLN A 24 4.699 -0.258 -17.072 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.960 1.515 -17.904 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.630 1.797 -16.206 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.421 1.932 -17.457 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.410 3.332 -17.161 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.022 1.864 -15.863 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.723 2.145 -14.144 1.00 0.00 H new ATOM 394 N LYS A 25 2.779 -0.391 -14.396 1.00 0.00 N ATOM 395 CA LYS A 25 2.831 -0.583 -12.950 1.00 0.00 C ATOM 396 C LYS A 25 3.722 -1.778 -12.633 1.00 0.00 C ATOM 397 O LYS A 25 4.549 -1.717 -11.724 1.00 0.00 O ATOM 398 CB LYS A 25 1.408 -0.816 -12.387 1.00 0.00 C ATOM 399 CG LYS A 25 0.868 0.462 -11.734 1.00 0.00 C ATOM 400 CD LYS A 25 0.654 1.531 -12.801 1.00 0.00 C ATOM 401 CE LYS A 25 0.231 2.834 -12.128 1.00 0.00 C ATOM 402 NZ LYS A 25 -1.076 2.627 -11.446 1.00 0.00 N ATOM 0 H LYS A 25 1.844 -0.422 -14.803 1.00 0.00 H new ATOM 0 HA LYS A 25 3.243 0.312 -12.483 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.741 -1.130 -13.190 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.429 -1.624 -11.655 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.071 0.252 -11.222 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.569 0.821 -10.980 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.571 1.683 -13.370 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.110 1.208 -13.508 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.986 3.147 -11.407 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.147 3.630 -12.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.516 3.549 -11.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.702 2.066 -12.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.924 2.121 -10.550 1.00 0.00 H new ATOM 416 N LEU A 26 3.560 -2.861 -13.387 1.00 0.00 N ATOM 417 CA LEU A 26 4.389 -4.043 -13.158 1.00 0.00 C ATOM 418 C LEU A 26 5.858 -3.720 -13.429 1.00 0.00 C ATOM 419 O LEU A 26 6.742 -4.161 -12.697 1.00 0.00 O ATOM 420 CB LEU A 26 3.926 -5.207 -14.052 1.00 0.00 C ATOM 421 CG LEU A 26 2.795 -6.000 -13.370 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.288 -6.649 -12.059 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.621 -5.067 -13.080 1.00 0.00 C ATOM 0 H LEU A 26 2.881 -2.947 -14.143 1.00 0.00 H new ATOM 0 HA LEU A 26 4.283 -4.343 -12.116 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.579 -4.821 -15.010 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.767 -5.869 -14.260 1.00 0.00 H new ATOM 0 HG LEU A 26 2.474 -6.795 -14.043 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.471 -7.203 -11.597 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.110 -7.330 -12.277 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.632 -5.873 -11.376 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.821 -5.628 -12.597 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.949 -4.263 -12.421 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.254 -4.643 -14.015 1.00 0.00 H new ATOM 435 N LEU A 27 6.117 -2.958 -14.485 1.00 0.00 N ATOM 436 CA LEU A 27 7.489 -2.598 -14.830 1.00 0.00 C ATOM 437 C LEU A 27 7.979 -1.431 -13.971 1.00 0.00 C ATOM 438 O LEU A 27 9.181 -1.186 -13.867 1.00 0.00 O ATOM 439 CB LEU A 27 7.553 -2.208 -16.303 1.00 0.00 C ATOM 440 CG LEU A 27 6.957 -3.332 -17.154 1.00 0.00 C ATOM 441 CD1 LEU A 27 6.956 -2.902 -18.620 1.00 0.00 C ATOM 442 CD2 LEU A 27 7.785 -4.613 -16.991 1.00 0.00 C ATOM 0 H LEU A 27 5.406 -2.581 -15.111 1.00 0.00 H new ATOM 0 HA LEU A 27 8.132 -3.458 -14.643 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.004 -1.281 -16.469 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.586 -2.023 -16.597 1.00 0.00 H new ATOM 0 HG LEU A 27 5.936 -3.531 -16.827 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.533 -3.698 -19.232 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.357 -1.999 -18.734 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.978 -2.702 -18.941 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.352 -5.406 -17.601 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.810 -4.427 -17.312 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.782 -4.917 -15.944 1.00 0.00 H new ATOM 454 N SER A 28 7.040 -0.712 -13.365 1.00 0.00 N ATOM 455 CA SER A 28 7.387 0.432 -12.529 1.00 0.00 C ATOM 456 C SER A 28 8.255 0.006 -11.349 1.00 0.00 C ATOM 457 O SER A 28 9.239 0.666 -11.017 1.00 0.00 O ATOM 458 CB SER A 28 6.113 1.092 -12.003 1.00 0.00 C ATOM 459 OG SER A 28 6.461 2.228 -11.224 1.00 0.00 O ATOM 0 H SER A 28 6.040 -0.899 -13.436 1.00 0.00 H new ATOM 0 HA SER A 28 7.950 1.139 -13.139 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.473 1.389 -12.834 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.545 0.384 -11.400 1.00 0.00 H new ATOM 0 HG SER A 28 5.646 2.655 -10.886 1.00 0.00 H new ATOM 465 N LEU A 29 7.874 -1.100 -10.713 1.00 0.00 N ATOM 466 CA LEU A 29 8.607 -1.622 -9.555 1.00 0.00 C ATOM 467 C LEU A 29 9.207 -2.991 -9.877 1.00 0.00 C ATOM 468 O LEU A 29 8.708 -3.713 -10.740 1.00 0.00 O ATOM 469 CB LEU A 29 7.662 -1.730 -8.340 1.00 0.00 C ATOM 470 CG LEU A 29 6.223 -2.014 -8.802 1.00 0.00 C ATOM 471 CD1 LEU A 29 6.169 -3.336 -9.584 1.00 0.00 C ATOM 472 CD2 LEU A 29 5.311 -2.105 -7.573 1.00 0.00 C ATOM 0 H LEU A 29 7.061 -1.655 -10.979 1.00 0.00 H new ATOM 0 HA LEU A 29 9.419 -0.935 -9.315 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.001 -2.526 -7.677 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.690 -0.804 -7.766 1.00 0.00 H new ATOM 0 HG LEU A 29 5.887 -1.207 -9.453 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.145 -3.527 -9.906 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.818 -3.269 -10.457 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.506 -4.151 -8.944 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.289 -2.306 -7.893 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.654 -2.911 -6.924 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.341 -1.162 -7.027 1.00 0.00 H new ATOM 484 N GLY A 30 10.283 -3.338 -9.176 1.00 0.00 N ATOM 485 CA GLY A 30 10.948 -4.620 -9.389 1.00 0.00 C ATOM 486 C GLY A 30 10.164 -5.757 -8.741 1.00 0.00 C ATOM 487 O GLY A 30 10.615 -6.901 -8.718 1.00 0.00 O ATOM 0 H GLY A 30 10.711 -2.753 -8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.051 -4.807 -10.458 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.955 -4.585 -8.973 1.00 0.00 H new ATOM 491 N MET A 31 8.984 -5.430 -8.218 1.00 0.00 N ATOM 492 CA MET A 31 8.127 -6.424 -7.572 1.00 0.00 C ATOM 493 C MET A 31 7.207 -7.058 -8.600 1.00 0.00 C ATOM 494 O MET A 31 6.017 -6.749 -8.660 1.00 0.00 O ATOM 495 CB MET A 31 7.280 -5.757 -6.489 1.00 0.00 C ATOM 496 CG MET A 31 8.163 -5.371 -5.304 1.00 0.00 C ATOM 497 SD MET A 31 9.247 -4.004 -5.784 1.00 0.00 S ATOM 498 CE MET A 31 10.569 -4.344 -4.598 1.00 0.00 C ATOM 0 H MET A 31 8.599 -4.485 -8.228 1.00 0.00 H new ATOM 0 HA MET A 31 8.758 -7.191 -7.122 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.790 -4.871 -6.892 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.492 -6.436 -6.161 1.00 0.00 H new ATOM 0 HG2 MET A 31 7.545 -5.079 -4.455 1.00 0.00 H new ATOM 0 HG3 MET A 31 8.758 -6.227 -4.985 1.00 0.00 H new ATOM 0 HE1 MET A 31 11.363 -3.607 -4.717 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.172 -4.289 -3.585 1.00 0.00 H new ATOM 0 HE3 MET A 31 10.971 -5.341 -4.777 1.00 0.00 H new ATOM 508 N LEU A 32 7.770 -7.931 -9.419 1.00 0.00 N ATOM 509 CA LEU A 32 7.004 -8.593 -10.466 1.00 0.00 C ATOM 510 C LEU A 32 6.245 -9.797 -9.892 1.00 0.00 C ATOM 511 O LEU A 32 6.456 -10.171 -8.739 1.00 0.00 O ATOM 512 CB LEU A 32 7.979 -9.019 -11.594 1.00 0.00 C ATOM 513 CG LEU A 32 7.719 -8.193 -12.875 1.00 0.00 C ATOM 514 CD1 LEU A 32 8.400 -6.829 -12.739 1.00 0.00 C ATOM 515 CD2 LEU A 32 8.280 -8.922 -14.099 1.00 0.00 C ATOM 0 H LEU A 32 8.754 -8.199 -9.381 1.00 0.00 H new ATOM 0 HA LEU A 32 6.260 -7.911 -10.878 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.009 -8.877 -11.266 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.856 -10.081 -11.808 1.00 0.00 H new ATOM 0 HG LEU A 32 6.645 -8.062 -13.004 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.221 -6.241 -13.639 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.993 -6.303 -11.875 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.473 -6.970 -12.605 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.090 -8.330 -14.994 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.354 -9.063 -13.978 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.796 -9.894 -14.198 1.00 0.00 H new ATOM 527 N PRO A 33 5.368 -10.401 -10.662 1.00 0.00 N ATOM 528 CA PRO A 33 4.577 -11.578 -10.199 1.00 0.00 C ATOM 529 C PRO A 33 5.452 -12.637 -9.542 1.00 0.00 C ATOM 530 O PRO A 33 6.639 -12.422 -9.299 1.00 0.00 O ATOM 531 CB PRO A 33 3.944 -12.125 -11.483 1.00 0.00 C ATOM 532 CG PRO A 33 3.860 -10.952 -12.403 1.00 0.00 C ATOM 533 CD PRO A 33 5.027 -10.030 -12.047 1.00 0.00 C ATOM 0 HA PRO A 33 3.845 -11.299 -9.441 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.551 -12.922 -11.914 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.957 -12.545 -11.288 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.922 -11.271 -13.443 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.908 -10.435 -12.285 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.872 -10.179 -12.719 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.743 -8.980 -12.120 1.00 0.00 H new ATOM 541 N GLY A 34 4.854 -13.792 -9.269 1.00 0.00 N ATOM 542 CA GLY A 34 5.569 -14.902 -8.645 1.00 0.00 C ATOM 543 C GLY A 34 4.952 -15.242 -7.295 1.00 0.00 C ATOM 544 O GLY A 34 5.521 -16.004 -6.513 1.00 0.00 O ATOM 0 H GLY A 34 3.873 -13.985 -9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.537 -15.775 -9.297 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.619 -14.639 -8.516 1.00 0.00 H new ATOM 548 N SER A 35 3.779 -14.668 -7.029 1.00 0.00 N ATOM 549 CA SER A 35 3.072 -14.908 -5.770 1.00 0.00 C ATOM 550 C SER A 35 1.577 -15.062 -6.021 1.00 0.00 C ATOM 551 O SER A 35 1.153 -15.407 -7.124 1.00 0.00 O ATOM 552 CB SER A 35 3.310 -13.747 -4.802 1.00 0.00 C ATOM 553 OG SER A 35 2.639 -12.588 -5.278 1.00 0.00 O ATOM 0 H SER A 35 3.298 -14.034 -7.667 1.00 0.00 H new ATOM 0 HA SER A 35 3.456 -15.829 -5.330 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.947 -14.008 -3.808 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.378 -13.550 -4.710 1.00 0.00 H new ATOM 0 HG SER A 35 2.790 -11.845 -4.657 1.00 0.00 H new ATOM 559 N SER A 36 0.779 -14.809 -4.986 1.00 0.00 N ATOM 560 CA SER A 36 -0.674 -14.927 -5.093 1.00 0.00 C ATOM 561 C SER A 36 -1.357 -13.810 -4.318 1.00 0.00 C ATOM 562 O SER A 36 -0.743 -13.156 -3.475 1.00 0.00 O ATOM 563 CB SER A 36 -1.125 -16.280 -4.540 1.00 0.00 C ATOM 564 OG SER A 36 -0.609 -16.443 -3.226 1.00 0.00 O ATOM 0 H SER A 36 1.112 -14.522 -4.066 1.00 0.00 H new ATOM 0 HA SER A 36 -0.953 -14.850 -6.144 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.213 -16.336 -4.526 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.773 -17.085 -5.184 1.00 0.00 H new ATOM 0 HG SER A 36 -0.897 -17.308 -2.867 1.00 0.00 H new ATOM 570 N PHE A 37 -2.638 -13.593 -4.615 1.00 0.00 N ATOM 571 CA PHE A 37 -3.409 -12.547 -3.948 1.00 0.00 C ATOM 572 C PHE A 37 -4.817 -13.046 -3.640 1.00 0.00 C ATOM 573 O PHE A 37 -5.288 -14.020 -4.232 1.00 0.00 O ATOM 574 CB PHE A 37 -3.494 -11.302 -4.839 1.00 0.00 C ATOM 575 CG PHE A 37 -4.357 -11.591 -6.047 1.00 0.00 C ATOM 576 CD1 PHE A 37 -5.736 -11.360 -5.985 1.00 0.00 C ATOM 577 CD2 PHE A 37 -3.786 -12.091 -7.223 1.00 0.00 C ATOM 578 CE1 PHE A 37 -6.543 -11.631 -7.096 1.00 0.00 C ATOM 579 CE2 PHE A 37 -4.593 -12.363 -8.335 1.00 0.00 C ATOM 580 CZ PHE A 37 -5.972 -12.132 -8.270 1.00 0.00 C ATOM 0 H PHE A 37 -3.161 -14.126 -5.310 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.906 -12.289 -3.016 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.911 -10.468 -4.275 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.495 -11.003 -5.158 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.178 -10.972 -5.079 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -2.722 -12.267 -7.273 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.607 -11.453 -7.047 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.152 -12.750 -9.241 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.595 -12.341 -9.127 1.00 0.00 H new ATOM 590 N ASN A 38 -5.486 -12.369 -2.708 1.00 0.00 N ATOM 591 CA ASN A 38 -6.845 -12.738 -2.317 1.00 0.00 C ATOM 592 C ASN A 38 -7.809 -11.590 -2.595 1.00 0.00 C ATOM 593 O ASN A 38 -7.427 -10.410 -2.575 1.00 0.00 O ATOM 594 CB ASN A 38 -6.880 -13.090 -0.829 1.00 0.00 C ATOM 595 CG ASN A 38 -6.247 -11.971 -0.012 1.00 0.00 C ATOM 596 OD1 ASN A 38 -6.266 -10.811 -0.426 1.00 0.00 O ATOM 597 ND2 ASN A 38 -5.681 -12.250 1.129 1.00 0.00 N ATOM 0 H ASN A 38 -5.109 -11.563 -2.210 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.152 -13.605 -2.902 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.910 -13.247 -0.509 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.346 -14.024 -0.656 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.253 -11.507 1.681 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.667 -13.211 1.470 1.00 0.00 H new ATOM 604 N VAL A 39 -9.064 -11.941 -2.859 1.00 0.00 N ATOM 605 CA VAL A 39 -10.081 -10.939 -3.148 1.00 0.00 C ATOM 606 C VAL A 39 -10.734 -10.461 -1.856 1.00 0.00 C ATOM 607 O VAL A 39 -11.201 -11.264 -1.051 1.00 0.00 O ATOM 608 CB VAL A 39 -11.154 -11.537 -4.062 1.00 0.00 C ATOM 609 CG1 VAL A 39 -12.199 -10.467 -4.394 1.00 0.00 C ATOM 610 CG2 VAL A 39 -10.504 -12.043 -5.354 1.00 0.00 C ATOM 0 H VAL A 39 -9.398 -12.905 -2.879 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.605 -10.093 -3.644 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.640 -12.370 -3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.962 -10.894 -5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.663 -10.114 -3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.716 -9.631 -4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.269 -12.468 -6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.015 -11.213 -5.864 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.765 -12.808 -5.114 1.00 0.00 H new ATOM 620 N VAL A 40 -10.761 -9.148 -1.663 1.00 0.00 N ATOM 621 CA VAL A 40 -11.361 -8.573 -0.465 1.00 0.00 C ATOM 622 C VAL A 40 -12.880 -8.757 -0.468 1.00 0.00 C ATOM 623 O VAL A 40 -13.478 -9.061 0.562 1.00 0.00 O ATOM 624 CB VAL A 40 -10.994 -7.081 -0.362 1.00 0.00 C ATOM 625 CG1 VAL A 40 -11.189 -6.390 -1.717 1.00 0.00 C ATOM 626 CG2 VAL A 40 -11.878 -6.396 0.691 1.00 0.00 C ATOM 0 H VAL A 40 -10.377 -8.465 -2.316 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.966 -9.096 0.406 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.948 -7.001 -0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.926 -5.336 -1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.549 -6.863 -2.462 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.231 -6.479 -2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.613 -5.341 0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -12.925 -6.489 0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.724 -6.871 1.660 1.00 0.00 H new ATOM 636 N ARG A 41 -13.490 -8.559 -1.629 1.00 0.00 N ATOM 637 CA ARG A 41 -14.933 -8.689 -1.758 1.00 0.00 C ATOM 638 C ARG A 41 -15.337 -8.565 -3.219 1.00 0.00 C ATOM 639 O ARG A 41 -14.575 -8.050 -4.036 1.00 0.00 O ATOM 640 CB ARG A 41 -15.619 -7.586 -0.944 1.00 0.00 C ATOM 641 CG ARG A 41 -15.294 -6.217 -1.552 1.00 0.00 C ATOM 642 CD ARG A 41 -15.838 -5.116 -0.641 1.00 0.00 C ATOM 643 NE ARG A 41 -15.575 -3.804 -1.220 1.00 0.00 N ATOM 644 CZ ARG A 41 -15.608 -2.704 -0.473 1.00 0.00 C ATOM 645 NH1 ARG A 41 -15.872 -2.790 0.802 1.00 0.00 N ATOM 646 NH2 ARG A 41 -15.374 -1.541 -1.016 1.00 0.00 N ATOM 0 H ARG A 41 -13.008 -8.308 -2.492 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.239 -9.666 -1.384 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.697 -7.744 -0.936 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -15.283 -7.623 0.092 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.216 -6.106 -1.671 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.735 -6.134 -2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -16.910 -5.250 -0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.374 -5.186 0.343 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.362 -3.728 -2.215 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.053 -3.700 1.225 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.897 -1.947 1.376 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.166 -1.476 -2.012 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.399 -0.697 -0.444 1.00 0.00 H new ATOM 660 N VAL A 42 -16.543 -9.019 -3.544 1.00 0.00 N ATOM 661 CA VAL A 42 -17.046 -8.930 -4.913 1.00 0.00 C ATOM 662 C VAL A 42 -18.441 -8.319 -4.904 1.00 0.00 C ATOM 663 O VAL A 42 -19.341 -8.821 -4.231 1.00 0.00 O ATOM 664 CB VAL A 42 -17.095 -10.324 -5.535 1.00 0.00 C ATOM 665 CG1 VAL A 42 -17.813 -10.267 -6.887 1.00 0.00 C ATOM 666 CG2 VAL A 42 -15.667 -10.834 -5.734 1.00 0.00 C ATOM 0 H VAL A 42 -17.189 -9.451 -2.883 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.381 -8.299 -5.503 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.639 -10.998 -4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.844 -11.265 -7.325 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.830 -9.902 -6.744 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -17.276 -9.594 -7.556 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.695 -11.829 -6.178 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.128 -10.156 -6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.160 -10.880 -4.770 1.00 0.00 H new ATOM 676 N ALA A 43 -18.624 -7.232 -5.653 1.00 0.00 N ATOM 677 CA ALA A 43 -19.930 -6.578 -5.711 1.00 0.00 C ATOM 678 C ALA A 43 -20.734 -7.096 -6.921 1.00 0.00 C ATOM 679 O ALA A 43 -20.380 -6.792 -8.062 1.00 0.00 O ATOM 680 CB ALA A 43 -19.740 -5.062 -5.831 1.00 0.00 C ATOM 0 H ALA A 43 -17.898 -6.792 -6.219 1.00 0.00 H new ATOM 0 HA ALA A 43 -20.480 -6.806 -4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.714 -4.575 -5.874 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.189 -4.695 -4.965 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -19.181 -4.836 -6.739 1.00 0.00 H new ATOM 686 N PRO A 44 -21.800 -7.854 -6.718 1.00 0.00 N ATOM 687 CA PRO A 44 -22.629 -8.385 -7.844 1.00 0.00 C ATOM 688 C PRO A 44 -23.530 -7.310 -8.461 1.00 0.00 C ATOM 689 O PRO A 44 -24.139 -7.524 -9.508 1.00 0.00 O ATOM 690 CB PRO A 44 -23.456 -9.506 -7.204 1.00 0.00 C ATOM 691 CG PRO A 44 -23.582 -9.122 -5.762 1.00 0.00 C ATOM 692 CD PRO A 44 -22.335 -8.299 -5.407 1.00 0.00 C ATOM 0 HA PRO A 44 -22.011 -8.735 -8.671 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.435 -9.593 -7.676 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -22.963 -10.472 -7.313 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -24.489 -8.540 -5.595 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.652 -10.008 -5.131 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -22.587 -7.450 -4.772 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.605 -8.898 -4.863 1.00 0.00 H new ATOM 700 N LEU A 45 -23.629 -6.167 -7.791 1.00 0.00 N ATOM 701 CA LEU A 45 -24.478 -5.079 -8.267 1.00 0.00 C ATOM 702 C LEU A 45 -24.022 -4.601 -9.644 1.00 0.00 C ATOM 703 O LEU A 45 -24.839 -4.162 -10.456 1.00 0.00 O ATOM 704 CB LEU A 45 -24.424 -3.912 -7.265 1.00 0.00 C ATOM 705 CG LEU A 45 -25.367 -4.187 -6.081 1.00 0.00 C ATOM 706 CD1 LEU A 45 -26.841 -4.141 -6.534 1.00 0.00 C ATOM 707 CD2 LEU A 45 -25.037 -5.564 -5.492 1.00 0.00 C ATOM 0 H LEU A 45 -23.135 -5.969 -6.921 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.502 -5.444 -8.351 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.404 -3.779 -6.904 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -24.710 -2.984 -7.760 1.00 0.00 H new ATOM 0 HG LEU A 45 -25.225 -3.417 -5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -27.490 -4.338 -5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -27.066 -3.155 -6.941 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -27.010 -4.897 -7.301 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -25.700 -5.769 -4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -25.173 -6.329 -6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -24.003 -5.574 -5.149 1.00 0.00 H new ATOM 719 N GLY A 46 -22.720 -4.689 -9.910 1.00 0.00 N ATOM 720 CA GLY A 46 -22.173 -4.261 -11.200 1.00 0.00 C ATOM 721 C GLY A 46 -20.961 -3.363 -11.000 1.00 0.00 C ATOM 722 O GLY A 46 -20.630 -2.548 -11.861 1.00 0.00 O ATOM 0 H GLY A 46 -22.026 -5.050 -9.255 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.892 -5.134 -11.789 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.937 -3.728 -11.766 1.00 0.00 H new ATOM 726 N ASP A 47 -20.298 -3.511 -9.856 1.00 0.00 N ATOM 727 CA ASP A 47 -19.119 -2.702 -9.549 1.00 0.00 C ATOM 728 C ASP A 47 -17.850 -3.488 -9.897 1.00 0.00 C ATOM 729 O ASP A 47 -17.877 -4.714 -10.007 1.00 0.00 O ATOM 730 CB ASP A 47 -19.132 -2.320 -8.048 1.00 0.00 C ATOM 731 CG ASP A 47 -19.518 -0.850 -7.857 1.00 0.00 C ATOM 732 OD1 ASP A 47 -20.361 -0.377 -8.599 1.00 0.00 O ATOM 733 OD2 ASP A 47 -18.958 -0.222 -6.972 1.00 0.00 O ATOM 0 H ASP A 47 -20.554 -4.179 -9.129 1.00 0.00 H new ATOM 0 HA ASP A 47 -19.134 -1.788 -10.143 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -19.837 -2.957 -7.513 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -18.148 -2.500 -7.615 1.00 0.00 H new ATOM 738 N PRO A 48 -16.750 -2.807 -10.068 1.00 0.00 N ATOM 739 CA PRO A 48 -15.446 -3.449 -10.411 1.00 0.00 C ATOM 740 C PRO A 48 -15.044 -4.496 -9.376 1.00 0.00 C ATOM 741 O PRO A 48 -15.699 -4.646 -8.344 1.00 0.00 O ATOM 742 CB PRO A 48 -14.448 -2.274 -10.443 1.00 0.00 C ATOM 743 CG PRO A 48 -15.127 -1.162 -9.706 1.00 0.00 C ATOM 744 CD PRO A 48 -16.619 -1.350 -9.956 1.00 0.00 C ATOM 0 HA PRO A 48 -15.486 -3.989 -11.357 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.506 -2.545 -9.966 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.215 -1.983 -11.467 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.901 -1.203 -8.641 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.789 -0.190 -10.066 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -17.219 -0.952 -9.138 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -16.944 -0.844 -10.865 1.00 0.00 H new ATOM 752 N ILE A 49 -13.968 -5.225 -9.664 1.00 0.00 N ATOM 753 CA ILE A 49 -13.492 -6.264 -8.758 1.00 0.00 C ATOM 754 C ILE A 49 -12.432 -5.690 -7.829 1.00 0.00 C ATOM 755 O ILE A 49 -11.348 -5.306 -8.268 1.00 0.00 O ATOM 756 CB ILE A 49 -12.891 -7.422 -9.573 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.761 -7.666 -10.813 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.820 -8.702 -8.722 1.00 0.00 C ATOM 759 CD1 ILE A 49 -15.216 -7.922 -10.400 1.00 0.00 C ATOM 0 H ILE A 49 -13.413 -5.115 -10.513 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.328 -6.634 -8.164 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.879 -7.158 -9.878 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.711 -6.803 -11.477 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.379 -8.520 -11.372 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.392 -9.510 -9.315 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -12.194 -8.523 -7.848 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.823 -8.981 -8.399 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.822 -8.094 -11.290 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.262 -8.799 -9.755 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.599 -7.055 -9.862 1.00 0.00 H new ATOM 771 N HIS A 50 -12.755 -5.639 -6.541 1.00 0.00 N ATOM 772 CA HIS A 50 -11.828 -5.112 -5.547 1.00 0.00 C ATOM 773 C HIS A 50 -10.995 -6.240 -4.969 1.00 0.00 C ATOM 774 O HIS A 50 -11.532 -7.204 -4.427 1.00 0.00 O ATOM 775 CB HIS A 50 -12.603 -4.428 -4.420 1.00 0.00 C ATOM 776 CG HIS A 50 -13.236 -3.170 -4.943 1.00 0.00 C ATOM 777 ND1 HIS A 50 -13.307 -2.010 -4.188 1.00 0.00 N ATOM 778 CD2 HIS A 50 -13.825 -2.871 -6.146 1.00 0.00 C ATOM 779 CE1 HIS A 50 -13.917 -1.075 -4.937 1.00 0.00 C ATOM 780 NE2 HIS A 50 -14.254 -1.547 -6.140 1.00 0.00 N ATOM 0 H HIS A 50 -13.648 -5.955 -6.162 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.173 -4.386 -6.028 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.369 -5.099 -4.031 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -11.933 -4.194 -3.592 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -12.960 -1.888 -3.237 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.938 -3.558 -6.971 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.111 -0.065 -4.606 1.00 0.00 H new ATOM 788 N ILE A 51 -9.675 -6.117 -5.091 1.00 0.00 N ATOM 789 CA ILE A 51 -8.764 -7.137 -4.577 1.00 0.00 C ATOM 790 C ILE A 51 -7.720 -6.510 -3.661 1.00 0.00 C ATOM 791 O ILE A 51 -7.364 -5.342 -3.818 1.00 0.00 O ATOM 792 CB ILE A 51 -8.073 -7.857 -5.745 1.00 0.00 C ATOM 793 CG1 ILE A 51 -7.287 -6.847 -6.594 1.00 0.00 C ATOM 794 CG2 ILE A 51 -9.123 -8.549 -6.621 1.00 0.00 C ATOM 795 CD1 ILE A 51 -6.482 -7.595 -7.661 1.00 0.00 C ATOM 0 H ILE A 51 -9.214 -5.325 -5.539 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.341 -7.860 -4.000 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.386 -8.601 -5.343 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.971 -6.142 -7.067 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.618 -6.265 -5.960 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.628 -9.058 -7.448 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.673 -9.276 -6.024 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.816 -7.805 -7.015 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.924 -6.879 -8.264 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.787 -8.282 -7.178 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.161 -8.157 -8.302 1.00 0.00 H new ATOM 807 N GLU A 52 -7.223 -7.297 -2.705 1.00 0.00 N ATOM 808 CA GLU A 52 -6.206 -6.807 -1.771 1.00 0.00 C ATOM 809 C GLU A 52 -5.053 -7.791 -1.686 1.00 0.00 C ATOM 810 O GLU A 52 -5.259 -8.999 -1.581 1.00 0.00 O ATOM 811 CB GLU A 52 -6.812 -6.591 -0.383 1.00 0.00 C ATOM 812 CG GLU A 52 -7.739 -5.374 -0.413 1.00 0.00 C ATOM 813 CD GLU A 52 -8.392 -5.184 0.952 1.00 0.00 C ATOM 814 OE1 GLU A 52 -8.074 -5.947 1.849 1.00 0.00 O ATOM 815 OE2 GLU A 52 -9.197 -4.277 1.080 1.00 0.00 O ATOM 0 H GLU A 52 -7.504 -8.266 -2.557 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.831 -5.853 -2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.368 -7.477 -0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.021 -6.440 0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.173 -4.482 -0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.505 -5.508 -1.177 1.00 0.00 H new ATOM 822 N THR A 53 -3.832 -7.263 -1.742 1.00 0.00 N ATOM 823 CA THR A 53 -2.634 -8.103 -1.682 1.00 0.00 C ATOM 824 C THR A 53 -1.701 -7.601 -0.591 1.00 0.00 C ATOM 825 O THR A 53 -1.550 -6.395 -0.391 1.00 0.00 O ATOM 826 CB THR A 53 -1.900 -8.071 -3.036 1.00 0.00 C ATOM 827 OG1 THR A 53 -0.874 -7.089 -2.996 1.00 0.00 O ATOM 828 CG2 THR A 53 -2.882 -7.710 -4.157 1.00 0.00 C ATOM 0 H THR A 53 -3.645 -6.264 -1.828 1.00 0.00 H new ATOM 0 HA THR A 53 -2.935 -9.126 -1.458 1.00 0.00 H new ATOM 0 HB THR A 53 -1.471 -9.055 -3.227 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.513 -6.956 -3.897 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.354 -7.690 -5.110 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.677 -8.455 -4.198 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.314 -6.729 -3.960 1.00 0.00 H new ATOM 836 N ARG A 54 -1.071 -8.538 0.109 1.00 0.00 N ATOM 837 CA ARG A 54 -0.147 -8.194 1.183 1.00 0.00 C ATOM 838 C ARG A 54 0.715 -7.001 0.780 1.00 0.00 C ATOM 839 O ARG A 54 1.039 -6.147 1.604 1.00 0.00 O ATOM 840 CB ARG A 54 0.748 -9.394 1.497 1.00 0.00 C ATOM 841 CG ARG A 54 -0.128 -10.610 1.812 1.00 0.00 C ATOM 842 CD ARG A 54 0.764 -11.812 2.129 1.00 0.00 C ATOM 843 NE ARG A 54 1.496 -12.225 0.938 1.00 0.00 N ATOM 844 CZ ARG A 54 2.351 -13.242 0.974 1.00 0.00 C ATOM 845 NH1 ARG A 54 2.544 -13.894 2.089 1.00 0.00 N ATOM 846 NH2 ARG A 54 2.997 -13.590 -0.105 1.00 0.00 N ATOM 0 H ARG A 54 -1.183 -9.540 -0.048 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.722 -7.928 2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.398 -9.609 0.649 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.395 -9.168 2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.779 -10.393 2.659 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.774 -10.836 0.963 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.464 -11.555 2.924 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.156 -12.639 2.495 1.00 0.00 H new ATOM 0 HE ARG A 54 1.349 -11.725 0.061 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.039 -13.623 2.932 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.200 -14.674 2.116 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.846 -13.082 -0.976 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.653 -14.370 -0.077 1.00 0.00 H new ATOM 860 N ARG A 55 1.080 -6.952 -0.497 1.00 0.00 N ATOM 861 CA ARG A 55 1.900 -5.859 -1.000 1.00 0.00 C ATOM 862 C ARG A 55 1.143 -4.533 -0.929 1.00 0.00 C ATOM 863 O ARG A 55 1.657 -3.545 -0.404 1.00 0.00 O ATOM 864 CB ARG A 55 2.284 -6.141 -2.453 1.00 0.00 C ATOM 865 CG ARG A 55 3.302 -7.281 -2.508 1.00 0.00 C ATOM 866 CD ARG A 55 3.513 -7.698 -3.965 1.00 0.00 C ATOM 867 NE ARG A 55 4.004 -6.572 -4.751 1.00 0.00 N ATOM 868 CZ ARG A 55 3.916 -6.575 -6.078 1.00 0.00 C ATOM 869 NH1 ARG A 55 3.393 -7.599 -6.693 1.00 0.00 N ATOM 870 NH2 ARG A 55 4.351 -5.554 -6.764 1.00 0.00 N ATOM 0 H ARG A 55 0.823 -7.650 -1.195 1.00 0.00 H new ATOM 0 HA ARG A 55 2.794 -5.784 -0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.397 -6.405 -3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.704 -5.244 -2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.247 -6.962 -2.068 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.948 -8.129 -1.922 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.225 -8.522 -4.014 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.575 -8.061 -4.385 1.00 0.00 H new ATOM 0 HE ARG A 55 4.421 -5.771 -4.276 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.052 -8.397 -6.156 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.325 -7.602 -7.711 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.759 -4.753 -6.283 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.283 -5.557 -7.782 1.00 0.00 H new ATOM 884 N VAL A 56 -0.084 -4.521 -1.454 1.00 0.00 N ATOM 885 CA VAL A 56 -0.896 -3.308 -1.438 1.00 0.00 C ATOM 886 C VAL A 56 -2.308 -3.597 -1.921 1.00 0.00 C ATOM 887 O VAL A 56 -2.608 -4.703 -2.374 1.00 0.00 O ATOM 888 CB VAL A 56 -0.256 -2.238 -2.329 1.00 0.00 C ATOM 889 CG1 VAL A 56 -0.386 -2.633 -3.803 1.00 0.00 C ATOM 890 CG2 VAL A 56 -0.927 -0.870 -2.103 1.00 0.00 C ATOM 0 H VAL A 56 -0.531 -5.328 -1.890 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.947 -2.944 -0.412 1.00 0.00 H new ATOM 0 HB VAL A 56 0.799 -2.161 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.072 -1.866 -4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.118 -3.585 -3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.440 -2.730 -4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.458 -0.124 -2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.988 -0.941 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.811 -0.576 -1.060 1.00 0.00 H new ATOM 900 N SER A 57 -3.167 -2.588 -1.842 1.00 0.00 N ATOM 901 CA SER A 57 -4.540 -2.736 -2.298 1.00 0.00 C ATOM 902 C SER A 57 -4.646 -2.379 -3.778 1.00 0.00 C ATOM 903 O SER A 57 -3.888 -1.546 -4.278 1.00 0.00 O ATOM 904 CB SER A 57 -5.469 -1.833 -1.488 1.00 0.00 C ATOM 905 OG SER A 57 -5.176 -0.474 -1.782 1.00 0.00 O ATOM 0 H SER A 57 -2.938 -1.666 -1.469 1.00 0.00 H new ATOM 0 HA SER A 57 -4.839 -3.775 -2.157 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.509 -2.053 -1.728 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.341 -2.022 -0.422 1.00 0.00 H new ATOM 0 HG SER A 57 -5.771 0.108 -1.265 1.00 0.00 H new ATOM 911 N LEU A 58 -5.591 -3.007 -4.474 1.00 0.00 N ATOM 912 CA LEU A 58 -5.791 -2.739 -5.896 1.00 0.00 C ATOM 913 C LEU A 58 -7.186 -3.178 -6.327 1.00 0.00 C ATOM 914 O LEU A 58 -7.713 -4.175 -5.834 1.00 0.00 O ATOM 915 CB LEU A 58 -4.734 -3.480 -6.730 1.00 0.00 C ATOM 916 CG LEU A 58 -4.936 -3.200 -8.230 1.00 0.00 C ATOM 917 CD1 LEU A 58 -4.761 -1.701 -8.527 1.00 0.00 C ATOM 918 CD2 LEU A 58 -3.909 -4.009 -9.031 1.00 0.00 C ATOM 0 H LEU A 58 -6.226 -3.701 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.689 -1.667 -6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.736 -3.164 -6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.800 -4.552 -6.542 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.946 -3.493 -8.516 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.907 -1.522 -9.592 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.495 -1.129 -7.959 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.757 -1.388 -8.241 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.045 -3.817 -10.095 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.902 -3.714 -8.734 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.049 -5.072 -8.833 1.00 0.00 H new ATOM 930 N VAL A 59 -7.777 -2.435 -7.262 1.00 0.00 N ATOM 931 CA VAL A 59 -9.112 -2.762 -7.773 1.00 0.00 C ATOM 932 C VAL A 59 -9.074 -2.857 -9.292 1.00 0.00 C ATOM 933 O VAL A 59 -8.558 -1.967 -9.967 1.00 0.00 O ATOM 934 CB VAL A 59 -10.124 -1.691 -7.351 1.00 0.00 C ATOM 935 CG1 VAL A 59 -9.623 -0.311 -7.777 1.00 0.00 C ATOM 936 CG2 VAL A 59 -11.475 -1.970 -8.016 1.00 0.00 C ATOM 0 H VAL A 59 -7.356 -1.606 -7.681 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.419 -3.721 -7.356 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.240 -1.715 -6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.345 0.447 -7.475 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.664 -0.109 -7.300 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.502 -0.286 -8.860 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.193 -1.207 -7.715 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.358 -1.950 -9.100 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.837 -2.951 -7.708 1.00 0.00 H new ATOM 946 N LEU A 60 -9.614 -3.952 -9.825 1.00 0.00 N ATOM 947 CA LEU A 60 -9.628 -4.175 -11.270 1.00 0.00 C ATOM 948 C LEU A 60 -11.016 -4.618 -11.731 1.00 0.00 C ATOM 949 O LEU A 60 -11.831 -5.070 -10.929 1.00 0.00 O ATOM 950 CB LEU A 60 -8.600 -5.254 -11.630 1.00 0.00 C ATOM 951 CG LEU A 60 -7.197 -4.824 -11.176 1.00 0.00 C ATOM 952 CD1 LEU A 60 -6.231 -6.003 -11.338 1.00 0.00 C ATOM 953 CD2 LEU A 60 -6.700 -3.644 -12.026 1.00 0.00 C ATOM 0 H LEU A 60 -10.047 -4.697 -9.279 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.375 -3.241 -11.772 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.871 -6.197 -11.155 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.605 -5.426 -12.706 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.241 -4.516 -10.131 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.234 -5.703 -11.017 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.572 -6.839 -10.728 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.199 -6.306 -12.384 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.705 -3.350 -11.693 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.659 -3.942 -13.074 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.383 -2.802 -11.915 1.00 0.00 H new ATOM 965 N ARG A 61 -11.274 -4.486 -13.031 1.00 0.00 N ATOM 966 CA ARG A 61 -12.563 -4.879 -13.597 1.00 0.00 C ATOM 967 C ARG A 61 -12.574 -6.366 -13.931 1.00 0.00 C ATOM 968 O ARG A 61 -11.527 -7.009 -13.977 1.00 0.00 O ATOM 969 CB ARG A 61 -12.851 -4.068 -14.851 1.00 0.00 C ATOM 970 CG ARG A 61 -13.265 -2.663 -14.437 1.00 0.00 C ATOM 971 CD ARG A 61 -13.442 -1.812 -15.678 1.00 0.00 C ATOM 972 NE ARG A 61 -14.524 -2.334 -16.504 1.00 0.00 N ATOM 973 CZ ARG A 61 -14.739 -1.870 -17.732 1.00 0.00 C ATOM 974 NH1 ARG A 61 -13.974 -0.934 -18.219 1.00 0.00 N ATOM 975 NH2 ARG A 61 -15.715 -2.353 -18.453 1.00 0.00 N ATOM 0 H ARG A 61 -10.611 -4.112 -13.710 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.337 -4.683 -12.855 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.967 -4.030 -15.488 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.643 -4.540 -15.433 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.195 -2.697 -13.869 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.509 -2.225 -13.785 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.658 -0.783 -15.393 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.515 -1.796 -16.251 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.127 -3.068 -16.134 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.210 -0.557 -17.658 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.139 -0.579 -19.161 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.314 -3.087 -18.075 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.879 -1.996 -19.394 1.00 0.00 H new ATOM 989 N LYS A 62 -13.762 -6.905 -14.163 1.00 0.00 N ATOM 990 CA LYS A 62 -13.897 -8.318 -14.489 1.00 0.00 C ATOM 991 C LYS A 62 -13.106 -8.653 -15.750 1.00 0.00 C ATOM 992 O LYS A 62 -12.533 -9.737 -15.867 1.00 0.00 O ATOM 993 CB LYS A 62 -15.373 -8.661 -14.698 1.00 0.00 C ATOM 994 CG LYS A 62 -15.907 -7.899 -15.916 1.00 0.00 C ATOM 995 CD LYS A 62 -17.426 -8.076 -16.019 1.00 0.00 C ATOM 996 CE LYS A 62 -17.767 -9.529 -16.361 1.00 0.00 C ATOM 997 NZ LYS A 62 -19.177 -9.604 -16.841 1.00 0.00 N ATOM 0 H LYS A 62 -14.642 -6.390 -14.132 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.501 -8.907 -13.662 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.490 -9.734 -14.847 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.948 -8.398 -13.810 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.661 -6.841 -15.830 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.427 -8.265 -16.824 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.897 -7.796 -15.076 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.826 -7.411 -16.785 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.089 -9.903 -17.128 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.635 -10.162 -15.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -19.412 -10.590 -17.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -19.816 -9.263 -16.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -19.287 -9.012 -17.689 1.00 0.00 H new ATOM 1011 N LYS A 63 -13.081 -7.716 -16.691 1.00 0.00 N ATOM 1012 CA LYS A 63 -12.363 -7.922 -17.942 1.00 0.00 C ATOM 1013 C LYS A 63 -10.872 -8.122 -17.679 1.00 0.00 C ATOM 1014 O LYS A 63 -10.230 -8.964 -18.307 1.00 0.00 O ATOM 1015 CB LYS A 63 -12.566 -6.718 -18.866 1.00 0.00 C ATOM 1016 CG LYS A 63 -14.025 -6.651 -19.309 1.00 0.00 C ATOM 1017 CD LYS A 63 -14.210 -5.452 -20.238 1.00 0.00 C ATOM 1018 CE LYS A 63 -15.665 -5.389 -20.686 1.00 0.00 C ATOM 1019 NZ LYS A 63 -15.853 -4.239 -21.614 1.00 0.00 N ATOM 0 H LYS A 63 -13.547 -6.812 -16.612 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.757 -8.817 -18.422 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.290 -5.799 -18.348 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.915 -6.801 -19.736 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.305 -7.571 -19.822 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.678 -6.559 -18.441 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.935 -4.531 -19.723 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.553 -5.542 -21.103 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.944 -6.319 -21.182 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.318 -5.281 -19.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.847 -4.198 -21.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.603 -3.355 -21.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.241 -4.360 -22.446 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.328 -7.345 -16.747 1.00 0.00 N ATOM 1034 CA ASP A 64 -8.913 -7.450 -16.412 1.00 0.00 C ATOM 1035 C ASP A 64 -8.582 -8.849 -15.897 1.00 0.00 C ATOM 1036 O ASP A 64 -7.603 -9.458 -16.319 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.566 -6.421 -15.341 1.00 0.00 C ATOM 1038 CG ASP A 64 -8.530 -5.019 -15.942 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -8.524 -4.915 -17.158 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -8.509 -4.069 -15.177 1.00 0.00 O ATOM 0 H ASP A 64 -10.841 -6.642 -16.215 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.328 -7.262 -17.312 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.302 -6.460 -14.538 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.599 -6.659 -14.899 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.408 -9.358 -14.990 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.188 -10.692 -14.439 1.00 0.00 C ATOM 1047 C LEU A 65 -9.285 -11.738 -15.545 1.00 0.00 C ATOM 1048 O LEU A 65 -8.507 -12.689 -15.581 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.220 -10.984 -13.336 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.732 -10.421 -11.994 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -9.407 -8.934 -12.139 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.821 -10.597 -10.951 1.00 0.00 C ATOM 0 H LEU A 65 -10.228 -8.874 -14.623 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.189 -10.735 -14.004 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.180 -10.539 -13.598 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.379 -12.059 -13.252 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.834 -10.956 -11.686 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.061 -8.542 -11.182 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.626 -8.804 -12.888 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.302 -8.395 -12.450 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.478 -10.198 -9.996 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.717 -10.063 -11.267 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.051 -11.657 -10.840 1.00 0.00 H new ATOM 1064 N ALA A 66 -10.243 -11.554 -16.443 1.00 0.00 N ATOM 1065 CA ALA A 66 -10.426 -12.489 -17.543 1.00 0.00 C ATOM 1066 C ALA A 66 -9.191 -12.509 -18.439 1.00 0.00 C ATOM 1067 O ALA A 66 -8.789 -13.563 -18.933 1.00 0.00 O ATOM 1068 CB ALA A 66 -11.649 -12.090 -18.370 1.00 0.00 C ATOM 0 H ALA A 66 -10.900 -10.773 -16.432 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.577 -13.485 -17.127 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.779 -12.795 -19.191 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.536 -12.103 -17.737 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.505 -11.087 -18.772 1.00 0.00 H new ATOM 1074 N LEU A 67 -8.597 -11.339 -18.654 1.00 0.00 N ATOM 1075 CA LEU A 67 -7.412 -11.240 -19.502 1.00 0.00 C ATOM 1076 C LEU A 67 -6.150 -11.602 -18.724 1.00 0.00 C ATOM 1077 O LEU A 67 -5.392 -12.482 -19.130 1.00 0.00 O ATOM 1078 CB LEU A 67 -7.287 -9.812 -20.039 1.00 0.00 C ATOM 1079 CG LEU A 67 -8.427 -9.518 -21.025 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -8.449 -8.018 -21.330 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -8.226 -10.311 -22.332 1.00 0.00 C ATOM 0 H LEU A 67 -8.912 -10.454 -18.257 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.521 -11.942 -20.329 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.317 -9.101 -19.214 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.325 -9.684 -20.535 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.374 -9.820 -20.578 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.256 -7.801 -22.030 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.610 -7.461 -20.407 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.497 -7.722 -21.771 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.042 -10.091 -23.020 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.279 -10.025 -22.789 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.214 -11.378 -22.112 1.00 0.00 H new ATOM 1093 N LEU A 68 -5.932 -10.920 -17.605 1.00 0.00 N ATOM 1094 CA LEU A 68 -4.754 -11.172 -16.783 1.00 0.00 C ATOM 1095 C LEU A 68 -4.544 -12.666 -16.590 1.00 0.00 C ATOM 1096 O LEU A 68 -5.496 -13.415 -16.364 1.00 0.00 O ATOM 1097 CB LEU A 68 -4.924 -10.490 -15.424 1.00 0.00 C ATOM 1098 CG LEU A 68 -4.812 -8.966 -15.584 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -5.331 -8.292 -14.312 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -3.346 -8.552 -15.825 1.00 0.00 C ATOM 0 H LEU A 68 -6.551 -10.193 -17.248 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.879 -10.764 -17.289 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.893 -10.749 -14.996 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.163 -10.848 -14.730 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.406 -8.654 -16.443 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.255 -7.210 -14.417 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.373 -8.569 -14.153 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.735 -8.617 -13.459 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.287 -7.469 -15.936 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.736 -8.864 -14.977 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.977 -9.030 -16.733 1.00 0.00 H new ATOM 1112 N GLU A 69 -3.288 -13.099 -16.689 1.00 0.00 N ATOM 1113 CA GLU A 69 -2.970 -14.512 -16.533 1.00 0.00 C ATOM 1114 C GLU A 69 -2.919 -14.882 -15.057 1.00 0.00 C ATOM 1115 O GLU A 69 -2.028 -14.448 -14.322 1.00 0.00 O ATOM 1116 CB GLU A 69 -1.623 -14.821 -17.189 1.00 0.00 C ATOM 1117 CG GLU A 69 -1.722 -14.596 -18.699 1.00 0.00 C ATOM 1118 CD GLU A 69 -0.364 -14.840 -19.346 1.00 0.00 C ATOM 1119 OE1 GLU A 69 0.568 -15.142 -18.620 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -0.277 -14.724 -20.557 1.00 0.00 O ATOM 0 H GLU A 69 -2.485 -12.498 -16.874 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.749 -15.100 -17.018 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.847 -14.183 -16.767 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.335 -15.852 -16.983 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.466 -15.267 -19.128 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.055 -13.579 -18.904 1.00 0.00 H new ATOM 1127 N VAL A 70 -3.889 -15.686 -14.627 1.00 0.00 N ATOM 1128 CA VAL A 70 -3.967 -16.121 -13.232 1.00 0.00 C ATOM 1129 C VAL A 70 -4.281 -17.608 -13.157 1.00 0.00 C ATOM 1130 O VAL A 70 -4.798 -18.195 -14.108 1.00 0.00 O ATOM 1131 CB VAL A 70 -5.049 -15.333 -12.490 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -4.643 -13.861 -12.387 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -6.372 -15.439 -13.252 1.00 0.00 C ATOM 0 H VAL A 70 -4.632 -16.050 -15.223 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.001 -15.936 -12.761 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.167 -15.746 -11.488 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.418 -13.306 -11.858 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.702 -13.780 -11.842 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.519 -13.447 -13.388 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.142 -14.878 -12.723 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.248 -15.029 -14.255 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.669 -16.485 -13.322 1.00 0.00 H new ATOM 1143 N GLU A 71 -3.961 -18.215 -12.018 1.00 0.00 N ATOM 1144 CA GLU A 71 -4.205 -19.643 -11.815 1.00 0.00 C ATOM 1145 C GLU A 71 -4.669 -19.913 -10.390 1.00 0.00 C ATOM 1146 O GLU A 71 -4.063 -19.441 -9.427 1.00 0.00 O ATOM 1147 CB GLU A 71 -2.923 -20.434 -12.091 1.00 0.00 C ATOM 1148 CG GLU A 71 -2.578 -20.387 -13.584 1.00 0.00 C ATOM 1149 CD GLU A 71 -3.651 -21.106 -14.397 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -4.349 -21.927 -13.824 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -3.758 -20.828 -15.581 1.00 0.00 O ATOM 0 H GLU A 71 -3.533 -17.743 -11.222 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.987 -19.959 -12.505 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.100 -20.021 -11.508 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.051 -21.469 -11.773 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.496 -19.351 -13.913 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.608 -20.854 -13.755 1.00 0.00 H new ATOM 1158 N ALA A 72 -5.746 -20.682 -10.263 1.00 0.00 N ATOM 1159 CA ALA A 72 -6.281 -21.021 -8.951 1.00 0.00 C ATOM 1160 C ALA A 72 -5.325 -21.958 -8.221 1.00 0.00 C ATOM 1161 O ALA A 72 -4.716 -22.835 -8.832 1.00 0.00 O ATOM 1162 CB ALA A 72 -7.644 -21.695 -9.103 1.00 0.00 C ATOM 0 H ALA A 72 -6.262 -21.080 -11.048 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.395 -20.105 -8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.038 -21.946 -8.118 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.332 -21.016 -9.607 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.536 -22.605 -9.693 1.00 0.00 H new ATOM 1168 N VAL A 73 -5.197 -21.769 -6.909 1.00 0.00 N ATOM 1169 CA VAL A 73 -4.309 -22.605 -6.103 1.00 0.00 C ATOM 1170 C VAL A 73 -5.121 -23.595 -5.279 1.00 0.00 C ATOM 1171 O VAL A 73 -5.994 -23.205 -4.505 1.00 0.00 O ATOM 1172 CB VAL A 73 -3.486 -21.728 -5.162 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -2.536 -22.603 -4.341 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -2.677 -20.726 -5.983 1.00 0.00 C ATOM 0 H VAL A 73 -5.693 -21.049 -6.384 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.645 -23.152 -6.772 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.154 -21.193 -4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.950 -21.974 -3.671 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.114 -23.318 -3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.866 -23.141 -5.012 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.088 -20.098 -5.314 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.010 -21.263 -6.658 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.355 -20.101 -6.564 1.00 0.00 H new