USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 727 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 82 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 89 GLN : amide:sc= -7.56! C(o=-7.6!,f=-17!) USER MOD Set 2.1: A 37 GLN : amide:sc= -0.0492 X(o=-0.1,f=0) USER MOD Set 2.2: A 39 GLN : amide:sc= -0.0554 K(o=-0.1,f=-0.7) USER MOD Set 3.1: A 33 CYS SG : rot -37:sc= 0.841 USER MOD Set 3.2: A 83 CYS SG : rot -81:sc= 0.342 USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0318 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0766 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -8.03! C(o=-8!,f=-8.3!) USER MOD Single : A 18 HIS : no HD1:sc= -4.64! C(o=-4.6!,f=-7.4!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 28 SER OG : rot -129:sc= -0.627 USER MOD Single : A 30 THR OG1 : rot 10:sc= 0.553 USER MOD Single : A 32 SER OG : rot 180:sc= -0.118 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -18:sc= 0.757 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -143:sc= 1.25 (180deg=0.364) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 48:sc= 0.614 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot -16:sc= -0.198 USER MOD Single : A 65 THR OG1 : rot 19:sc= 0.498 USER MOD Single : A 71 GLN : amide:sc= -0.0156 K(o=-0.016,f=-1.1) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.22) USER MOD Single : A 81 TYR OH : rot -20:sc= 1.22 USER MOD Single : A 88 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.3) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0752 X(o=-0.075,f=-0.0051) USER MOD Single : A 99 GLN : amide:sc= -0.0408 X(o=-0.041,f=-0.0061) USER MOD Single : A 100 CYS SG : rot 180:sc= -0.497 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.305 24.677 18.429 1.00 0.00 N ATOM 2 CA GLY A 1 9.764 25.349 17.262 1.00 0.00 C ATOM 3 C GLY A 1 9.551 24.404 16.096 1.00 0.00 C ATOM 4 O GLY A 1 10.269 23.415 15.951 1.00 0.00 O ATOM 0 H1 GLY A 1 11.042 25.271 18.861 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.544 24.512 19.119 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.718 23.766 18.145 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.815 25.818 17.524 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.442 26.147 16.960 1.00 0.00 H new ATOM 8 N SER A 2 8.560 24.708 15.264 1.00 0.00 N ATOM 9 CA SER A 2 8.250 23.875 14.108 1.00 0.00 C ATOM 10 C SER A 2 9.280 24.078 13.001 1.00 0.00 C ATOM 11 O SER A 2 9.871 25.150 12.876 1.00 0.00 O ATOM 12 CB SER A 2 6.850 24.196 13.582 1.00 0.00 C ATOM 13 OG SER A 2 5.866 23.416 14.240 1.00 0.00 O ATOM 0 H SER A 2 7.958 25.525 15.369 1.00 0.00 H new ATOM 0 HA SER A 2 8.281 22.832 14.424 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.637 25.255 13.729 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.809 24.008 12.509 1.00 0.00 H new ATOM 0 HG SER A 2 4.980 23.641 13.887 1.00 0.00 H new ATOM 19 N SER A 3 9.490 23.039 12.199 1.00 0.00 N ATOM 20 CA SER A 3 10.451 23.100 11.104 1.00 0.00 C ATOM 21 C SER A 3 9.854 23.817 9.897 1.00 0.00 C ATOM 22 O SER A 3 10.483 24.698 9.311 1.00 0.00 O ATOM 23 CB SER A 3 10.893 21.690 10.706 1.00 0.00 C ATOM 24 OG SER A 3 11.861 21.732 9.672 1.00 0.00 O ATOM 0 H SER A 3 9.007 22.145 12.287 1.00 0.00 H new ATOM 0 HA SER A 3 11.320 23.663 11.447 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.306 21.176 11.574 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.028 21.114 10.376 1.00 0.00 H new ATOM 0 HG SER A 3 12.128 20.819 9.437 1.00 0.00 H new ATOM 30 N GLY A 4 8.635 23.433 9.531 1.00 0.00 N ATOM 31 CA GLY A 4 7.973 24.049 8.396 1.00 0.00 C ATOM 32 C GLY A 4 6.478 23.796 8.389 1.00 0.00 C ATOM 33 O GLY A 4 6.008 22.830 7.788 1.00 0.00 O ATOM 0 H GLY A 4 8.094 22.706 10.000 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.156 25.123 8.412 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.408 23.665 7.473 1.00 0.00 H new ATOM 37 N SER A 5 5.729 24.665 9.061 1.00 0.00 N ATOM 38 CA SER A 5 4.279 24.528 9.135 1.00 0.00 C ATOM 39 C SER A 5 3.658 24.576 7.742 1.00 0.00 C ATOM 40 O SER A 5 2.822 23.743 7.394 1.00 0.00 O ATOM 41 CB SER A 5 3.685 25.633 10.010 1.00 0.00 C ATOM 42 OG SER A 5 3.947 26.913 9.462 1.00 0.00 O ATOM 0 H SER A 5 6.102 25.471 9.562 1.00 0.00 H new ATOM 0 HA SER A 5 4.052 23.560 9.582 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.609 25.488 10.104 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.104 25.571 11.014 1.00 0.00 H new ATOM 0 HG SER A 5 3.556 27.602 10.039 1.00 0.00 H new ATOM 48 N SER A 6 4.072 25.560 6.950 1.00 0.00 N ATOM 49 CA SER A 6 3.554 25.721 5.596 1.00 0.00 C ATOM 50 C SER A 6 4.297 24.815 4.619 1.00 0.00 C ATOM 51 O SER A 6 5.204 25.255 3.914 1.00 0.00 O ATOM 52 CB SER A 6 3.676 27.179 5.151 1.00 0.00 C ATOM 53 OG SER A 6 2.578 27.947 5.612 1.00 0.00 O ATOM 0 H SER A 6 4.764 26.258 7.222 1.00 0.00 H new ATOM 0 HA SER A 6 2.502 25.437 5.600 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.605 27.602 5.532 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.726 27.227 4.063 1.00 0.00 H new ATOM 0 HG SER A 6 2.681 28.875 5.316 1.00 0.00 H new ATOM 59 N GLY A 7 3.903 23.545 4.582 1.00 0.00 N ATOM 60 CA GLY A 7 4.541 22.597 3.689 1.00 0.00 C ATOM 61 C GLY A 7 5.337 21.543 4.434 1.00 0.00 C ATOM 62 O GLY A 7 5.993 21.841 5.432 1.00 0.00 O ATOM 0 H GLY A 7 3.154 23.157 5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.781 22.110 3.078 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.202 23.133 3.008 1.00 0.00 H new ATOM 66 N LYS A 8 5.280 20.308 3.949 1.00 0.00 N ATOM 67 CA LYS A 8 6.000 19.205 4.575 1.00 0.00 C ATOM 68 C LYS A 8 5.869 17.930 3.748 1.00 0.00 C ATOM 69 O LYS A 8 4.802 17.319 3.696 1.00 0.00 O ATOM 70 CB LYS A 8 5.473 18.964 5.991 1.00 0.00 C ATOM 71 CG LYS A 8 6.516 18.398 6.939 1.00 0.00 C ATOM 72 CD LYS A 8 5.903 18.006 8.273 1.00 0.00 C ATOM 73 CE LYS A 8 6.937 17.392 9.204 1.00 0.00 C ATOM 74 NZ LYS A 8 7.678 18.430 9.972 1.00 0.00 N ATOM 0 H LYS A 8 4.742 20.045 3.123 1.00 0.00 H new ATOM 0 HA LYS A 8 7.055 19.476 4.627 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.099 19.904 6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.627 18.278 5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.988 17.527 6.484 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.301 19.137 7.101 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.464 18.885 8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.094 17.295 8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.443 16.711 9.897 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.642 16.798 8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.373 17.971 10.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 8.171 19.065 9.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.009 18.980 10.547 1.00 0.00 H new ATOM 88 N VAL A 9 6.962 17.533 3.103 1.00 0.00 N ATOM 89 CA VAL A 9 6.969 16.329 2.281 1.00 0.00 C ATOM 90 C VAL A 9 7.556 15.147 3.043 1.00 0.00 C ATOM 91 O VAL A 9 8.554 15.284 3.751 1.00 0.00 O ATOM 92 CB VAL A 9 7.773 16.540 0.984 1.00 0.00 C ATOM 93 CG1 VAL A 9 7.780 15.270 0.147 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.207 17.708 0.191 1.00 0.00 C ATOM 0 H VAL A 9 7.853 18.028 3.134 1.00 0.00 H new ATOM 0 HA VAL A 9 5.931 16.114 2.026 1.00 0.00 H new ATOM 0 HB VAL A 9 8.803 16.776 1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.353 15.438 -0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.236 14.461 0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.756 14.999 -0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.787 17.843 -0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.168 17.504 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.260 18.616 0.792 1.00 0.00 H new ATOM 104 N VAL A 10 6.931 13.984 2.893 1.00 0.00 N ATOM 105 CA VAL A 10 7.392 12.775 3.566 1.00 0.00 C ATOM 106 C VAL A 10 8.028 11.804 2.577 1.00 0.00 C ATOM 107 O VAL A 10 8.938 11.052 2.927 1.00 0.00 O ATOM 108 CB VAL A 10 6.238 12.064 4.296 1.00 0.00 C ATOM 109 CG1 VAL A 10 6.774 10.960 5.195 1.00 0.00 C ATOM 110 CG2 VAL A 10 5.418 13.064 5.097 1.00 0.00 C ATOM 0 H VAL A 10 6.104 13.853 2.311 1.00 0.00 H new ATOM 0 HA VAL A 10 8.138 13.085 4.297 1.00 0.00 H new ATOM 0 HB VAL A 10 5.586 11.608 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.944 10.469 5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.314 10.230 4.592 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.449 11.389 5.935 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.607 12.544 5.606 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.057 13.551 5.834 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.002 13.815 4.425 1.00 0.00 H new ATOM 120 N PHE A 11 7.544 11.826 1.340 1.00 0.00 N ATOM 121 CA PHE A 11 8.065 10.947 0.299 1.00 0.00 C ATOM 122 C PHE A 11 8.740 11.754 -0.806 1.00 0.00 C ATOM 123 O PHE A 11 8.527 12.960 -0.928 1.00 0.00 O ATOM 124 CB PHE A 11 6.938 10.097 -0.291 1.00 0.00 C ATOM 125 CG PHE A 11 6.278 9.196 0.714 1.00 0.00 C ATOM 126 CD1 PHE A 11 5.273 9.676 1.539 1.00 0.00 C ATOM 127 CD2 PHE A 11 6.661 7.870 0.832 1.00 0.00 C ATOM 128 CE1 PHE A 11 4.665 8.849 2.465 1.00 0.00 C ATOM 129 CE2 PHE A 11 6.056 7.039 1.756 1.00 0.00 C ATOM 130 CZ PHE A 11 5.056 7.529 2.573 1.00 0.00 C ATOM 0 H PHE A 11 6.792 12.443 1.033 1.00 0.00 H new ATOM 0 HA PHE A 11 8.808 10.290 0.751 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.186 10.756 -0.726 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.338 9.490 -1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.962 10.707 1.458 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.441 7.481 0.195 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.884 9.235 3.104 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.365 6.007 1.839 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.581 6.881 3.295 1.00 0.00 H new ATOM 140 N ALA A 12 9.556 11.078 -1.608 1.00 0.00 N ATOM 141 CA ALA A 12 10.262 11.731 -2.704 1.00 0.00 C ATOM 142 C ALA A 12 9.314 12.588 -3.535 1.00 0.00 C ATOM 143 O ALA A 12 8.094 12.480 -3.413 1.00 0.00 O ATOM 144 CB ALA A 12 10.946 10.694 -3.583 1.00 0.00 C ATOM 0 H ALA A 12 9.745 10.079 -1.520 1.00 0.00 H new ATOM 0 HA ALA A 12 11.020 12.386 -2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.469 11.195 -4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.661 10.127 -2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.198 10.016 -3.995 1.00 0.00 H new ATOM 150 N LYS A 13 9.883 13.442 -4.379 1.00 0.00 N ATOM 151 CA LYS A 13 9.089 14.320 -5.231 1.00 0.00 C ATOM 152 C LYS A 13 8.827 13.670 -6.587 1.00 0.00 C ATOM 153 O LYS A 13 7.885 14.037 -7.288 1.00 0.00 O ATOM 154 CB LYS A 13 9.802 15.659 -5.425 1.00 0.00 C ATOM 155 CG LYS A 13 11.282 15.520 -5.738 1.00 0.00 C ATOM 156 CD LYS A 13 12.121 15.512 -4.471 1.00 0.00 C ATOM 157 CE LYS A 13 12.547 16.918 -4.076 1.00 0.00 C ATOM 158 NZ LYS A 13 13.227 16.939 -2.751 1.00 0.00 N ATOM 0 H LYS A 13 10.892 13.545 -4.491 1.00 0.00 H new ATOM 0 HA LYS A 13 8.132 14.494 -4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.318 16.205 -6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.685 16.258 -4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.452 14.598 -6.294 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.598 16.342 -6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.551 15.062 -3.659 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.005 14.892 -4.622 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.218 17.321 -4.835 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.672 17.568 -4.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.502 17.914 -2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.579 16.578 -2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.076 16.339 -2.787 1.00 0.00 H new ATOM 172 N GLU A 14 9.665 12.704 -6.947 1.00 0.00 N ATOM 173 CA GLU A 14 9.522 12.004 -8.218 1.00 0.00 C ATOM 174 C GLU A 14 8.806 10.670 -8.027 1.00 0.00 C ATOM 175 O GLU A 14 9.236 9.643 -8.552 1.00 0.00 O ATOM 176 CB GLU A 14 10.894 11.772 -8.855 1.00 0.00 C ATOM 177 CG GLU A 14 11.339 12.902 -9.769 1.00 0.00 C ATOM 178 CD GLU A 14 10.868 12.717 -11.198 1.00 0.00 C ATOM 179 OE1 GLU A 14 9.670 12.423 -11.395 1.00 0.00 O ATOM 180 OE2 GLU A 14 11.698 12.866 -12.119 1.00 0.00 O ATOM 0 H GLU A 14 10.450 12.388 -6.377 1.00 0.00 H new ATOM 0 HA GLU A 14 8.922 12.627 -8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.634 11.641 -8.066 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.868 10.843 -9.425 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.957 13.847 -9.384 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.427 12.969 -9.755 1.00 0.00 H new ATOM 187 N GLN A 15 7.713 10.694 -7.272 1.00 0.00 N ATOM 188 CA GLN A 15 6.938 9.487 -7.010 1.00 0.00 C ATOM 189 C GLN A 15 5.542 9.595 -7.613 1.00 0.00 C ATOM 190 O GLN A 15 4.916 10.655 -7.606 1.00 0.00 O ATOM 191 CB GLN A 15 6.839 9.235 -5.505 1.00 0.00 C ATOM 192 CG GLN A 15 8.176 9.311 -4.785 1.00 0.00 C ATOM 193 CD GLN A 15 8.234 8.413 -3.565 1.00 0.00 C ATOM 194 OE1 GLN A 15 7.214 8.143 -2.930 1.00 0.00 O ATOM 195 NE2 GLN A 15 9.431 7.945 -3.231 1.00 0.00 N ATOM 0 H GLN A 15 7.344 11.536 -6.831 1.00 0.00 H new ATOM 0 HA GLN A 15 7.452 8.647 -7.478 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.158 9.965 -5.067 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.402 8.251 -5.338 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.972 9.032 -5.475 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.363 10.341 -4.482 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.249 8.195 -3.786 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.532 7.336 -2.419 1.00 0.00 H new ATOM 204 N PRO A 16 5.039 8.472 -8.148 1.00 0.00 N ATOM 205 CA PRO A 16 3.711 8.415 -8.765 1.00 0.00 C ATOM 206 C PRO A 16 2.589 8.546 -7.740 1.00 0.00 C ATOM 207 O PRO A 16 2.718 8.090 -6.605 1.00 0.00 O ATOM 208 CB PRO A 16 3.681 7.031 -9.417 1.00 0.00 C ATOM 209 CG PRO A 16 4.650 6.220 -8.627 1.00 0.00 C ATOM 210 CD PRO A 16 5.729 7.172 -8.191 1.00 0.00 C ATOM 0 HA PRO A 16 3.552 9.234 -9.466 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.681 6.598 -9.382 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.970 7.081 -10.467 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.164 5.761 -7.766 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.064 5.411 -9.229 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.135 6.900 -7.217 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.563 7.183 -8.893 1.00 0.00 H new ATOM 218 N ALA A 17 1.490 9.170 -8.149 1.00 0.00 N ATOM 219 CA ALA A 17 0.345 9.357 -7.267 1.00 0.00 C ATOM 220 C ALA A 17 -0.248 8.018 -6.844 1.00 0.00 C ATOM 221 O ALA A 17 -0.520 7.792 -5.664 1.00 0.00 O ATOM 222 CB ALA A 17 -0.713 10.213 -7.949 1.00 0.00 C ATOM 0 H ALA A 17 1.368 9.555 -9.086 1.00 0.00 H new ATOM 0 HA ALA A 17 0.690 9.871 -6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.562 10.344 -7.279 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.290 11.187 -8.194 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.045 9.721 -8.863 1.00 0.00 H new ATOM 228 N HIS A 18 -0.446 7.131 -7.814 1.00 0.00 N ATOM 229 CA HIS A 18 -1.007 5.812 -7.542 1.00 0.00 C ATOM 230 C HIS A 18 -0.472 4.780 -8.529 1.00 0.00 C ATOM 231 O HIS A 18 -0.694 4.887 -9.736 1.00 0.00 O ATOM 232 CB HIS A 18 -2.534 5.860 -7.613 1.00 0.00 C ATOM 233 CG HIS A 18 -3.157 4.550 -7.986 1.00 0.00 C ATOM 234 ND1 HIS A 18 -2.561 3.333 -7.732 1.00 0.00 N ATOM 235 CD2 HIS A 18 -4.332 4.271 -8.598 1.00 0.00 C ATOM 236 CE1 HIS A 18 -3.341 2.362 -8.172 1.00 0.00 C ATOM 237 NE2 HIS A 18 -4.423 2.905 -8.702 1.00 0.00 N ATOM 0 H HIS A 18 -0.226 7.302 -8.795 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.707 5.516 -6.537 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.925 6.177 -6.646 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.832 6.615 -8.340 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.062 4.989 -8.941 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.130 1.305 -8.109 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.199 2.393 -9.120 1.00 0.00 H new ATOM 246 N ARG A 19 0.233 3.780 -8.009 1.00 0.00 N ATOM 247 CA ARG A 19 0.801 2.730 -8.846 1.00 0.00 C ATOM 248 C ARG A 19 -0.103 1.501 -8.864 1.00 0.00 C ATOM 249 O ARG A 19 -0.806 1.222 -7.893 1.00 0.00 O ATOM 250 CB ARG A 19 2.193 2.345 -8.342 1.00 0.00 C ATOM 251 CG ARG A 19 3.314 3.158 -8.968 1.00 0.00 C ATOM 252 CD ARG A 19 4.675 2.725 -8.447 1.00 0.00 C ATOM 253 NE ARG A 19 5.760 3.158 -9.323 1.00 0.00 N ATOM 254 CZ ARG A 19 6.044 2.578 -10.484 1.00 0.00 C ATOM 255 NH1 ARG A 19 5.326 1.546 -10.905 1.00 0.00 N ATOM 256 NH2 ARG A 19 7.047 3.029 -11.225 1.00 0.00 N ATOM 0 H ARG A 19 0.424 3.675 -7.013 1.00 0.00 H new ATOM 0 HA ARG A 19 0.883 3.114 -9.863 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.226 2.470 -7.260 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.365 1.288 -8.546 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.285 3.045 -10.052 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.161 4.216 -8.754 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.829 3.136 -7.449 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.698 1.639 -8.351 1.00 0.00 H new ATOM 0 HE ARG A 19 6.331 3.949 -9.027 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.554 1.196 -10.337 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.545 1.102 -11.797 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.602 3.822 -10.904 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.264 2.583 -12.116 1.00 0.00 H new ATOM 270 N GLU A 20 -0.079 0.771 -9.975 1.00 0.00 N ATOM 271 CA GLU A 20 -0.898 -0.427 -10.119 1.00 0.00 C ATOM 272 C GLU A 20 -0.026 -1.678 -10.175 1.00 0.00 C ATOM 273 O GLU A 20 0.588 -1.975 -11.200 1.00 0.00 O ATOM 274 CB GLU A 20 -1.759 -0.335 -11.380 1.00 0.00 C ATOM 275 CG GLU A 20 -2.718 0.843 -11.377 1.00 0.00 C ATOM 276 CD GLU A 20 -2.023 2.163 -11.650 1.00 0.00 C ATOM 277 OE1 GLU A 20 -1.323 2.262 -12.680 1.00 0.00 O ATOM 278 OE2 GLU A 20 -2.178 3.096 -10.835 1.00 0.00 O ATOM 0 H GLU A 20 0.498 0.988 -10.788 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.549 -0.498 -9.248 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.107 -0.260 -12.250 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.330 -1.257 -11.488 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.489 0.680 -12.130 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.221 0.895 -10.411 1.00 0.00 H new ATOM 285 N VAL A 21 0.023 -2.409 -9.066 1.00 0.00 N ATOM 286 CA VAL A 21 0.818 -3.628 -8.988 1.00 0.00 C ATOM 287 C VAL A 21 -0.020 -4.854 -9.330 1.00 0.00 C ATOM 288 O VAL A 21 -1.166 -4.975 -8.896 1.00 0.00 O ATOM 289 CB VAL A 21 1.428 -3.812 -7.586 1.00 0.00 C ATOM 290 CG1 VAL A 21 2.185 -5.129 -7.501 1.00 0.00 C ATOM 291 CG2 VAL A 21 2.339 -2.642 -7.244 1.00 0.00 C ATOM 0 H VAL A 21 -0.479 -2.178 -8.209 1.00 0.00 H new ATOM 0 HA VAL A 21 1.623 -3.527 -9.716 1.00 0.00 H new ATOM 0 HB VAL A 21 0.618 -3.838 -6.857 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.609 -5.241 -6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.502 -5.955 -7.700 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.987 -5.136 -8.239 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.762 -2.788 -6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.145 -2.582 -7.976 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.764 -1.716 -7.261 1.00 0.00 H new ATOM 301 N GLN A 22 0.558 -5.762 -10.110 1.00 0.00 N ATOM 302 CA GLN A 22 -0.137 -6.979 -10.511 1.00 0.00 C ATOM 303 C GLN A 22 0.645 -8.218 -10.086 1.00 0.00 C ATOM 304 O GLN A 22 1.873 -8.243 -10.159 1.00 0.00 O ATOM 305 CB GLN A 22 -0.354 -6.993 -12.025 1.00 0.00 C ATOM 306 CG GLN A 22 -1.545 -7.832 -12.461 1.00 0.00 C ATOM 307 CD GLN A 22 -1.753 -7.813 -13.963 1.00 0.00 C ATOM 308 OE1 GLN A 22 -1.737 -6.754 -14.590 1.00 0.00 O ATOM 309 NE2 GLN A 22 -1.949 -8.989 -14.548 1.00 0.00 N ATOM 0 H GLN A 22 1.506 -5.678 -10.477 1.00 0.00 H new ATOM 0 HA GLN A 22 -1.106 -6.994 -10.012 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.494 -5.970 -12.373 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.545 -7.374 -12.509 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.400 -8.861 -12.131 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.445 -7.463 -11.969 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.954 -9.842 -13.989 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.094 -9.039 -15.556 1.00 0.00 H new ATOM 318 N ALA A 23 -0.075 -9.242 -9.641 1.00 0.00 N ATOM 319 CA ALA A 23 0.552 -10.484 -9.206 1.00 0.00 C ATOM 320 C ALA A 23 -0.324 -11.687 -9.539 1.00 0.00 C ATOM 321 O ALA A 23 -1.370 -11.548 -10.172 1.00 0.00 O ATOM 322 CB ALA A 23 0.838 -10.436 -7.712 1.00 0.00 C ATOM 0 H ALA A 23 -1.093 -9.236 -9.572 1.00 0.00 H new ATOM 0 HA ALA A 23 1.494 -10.593 -9.743 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.306 -11.370 -7.401 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.509 -9.604 -7.497 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.096 -10.299 -7.167 1.00 0.00 H new ATOM 328 N GLU A 24 0.111 -12.868 -9.110 1.00 0.00 N ATOM 329 CA GLU A 24 -0.634 -14.095 -9.365 1.00 0.00 C ATOM 330 C GLU A 24 -1.021 -14.779 -8.057 1.00 0.00 C ATOM 331 O GLU A 24 -0.394 -14.560 -7.021 1.00 0.00 O ATOM 332 CB GLU A 24 0.193 -15.050 -10.227 1.00 0.00 C ATOM 333 CG GLU A 24 0.410 -14.555 -11.648 1.00 0.00 C ATOM 334 CD GLU A 24 0.769 -15.674 -12.607 1.00 0.00 C ATOM 335 OE1 GLU A 24 0.430 -16.839 -12.314 1.00 0.00 O ATOM 336 OE2 GLU A 24 1.389 -15.382 -13.651 1.00 0.00 O ATOM 0 H GLU A 24 0.975 -13.001 -8.585 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.546 -13.831 -9.900 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.162 -15.206 -9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.305 -16.019 -10.261 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.495 -14.058 -11.998 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.205 -13.809 -11.652 1.00 0.00 H new ATOM 343 N ALA A 25 -2.058 -15.608 -8.113 1.00 0.00 N ATOM 344 CA ALA A 25 -2.528 -16.325 -6.934 1.00 0.00 C ATOM 345 C ALA A 25 -1.436 -17.226 -6.368 1.00 0.00 C ATOM 346 O ALA A 25 -0.980 -18.157 -7.031 1.00 0.00 O ATOM 347 CB ALA A 25 -3.766 -17.142 -7.272 1.00 0.00 C ATOM 0 H ALA A 25 -2.589 -15.800 -8.963 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.788 -15.590 -6.172 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.106 -17.672 -6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.556 -16.478 -7.623 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.524 -17.862 -8.054 1.00 0.00 H new ATOM 353 N GLY A 26 -1.019 -16.941 -5.138 1.00 0.00 N ATOM 354 CA GLY A 26 0.018 -17.735 -4.504 1.00 0.00 C ATOM 355 C GLY A 26 1.376 -17.062 -4.556 1.00 0.00 C ATOM 356 O GLY A 26 2.207 -17.259 -3.669 1.00 0.00 O ATOM 0 H GLY A 26 -1.380 -16.175 -4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.254 -17.919 -3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.078 -18.707 -4.994 1.00 0.00 H new ATOM 360 N ALA A 27 1.602 -16.269 -5.597 1.00 0.00 N ATOM 361 CA ALA A 27 2.868 -15.565 -5.760 1.00 0.00 C ATOM 362 C ALA A 27 3.126 -14.621 -4.591 1.00 0.00 C ATOM 363 O ALA A 27 2.353 -14.576 -3.635 1.00 0.00 O ATOM 364 CB ALA A 27 2.880 -14.798 -7.074 1.00 0.00 C ATOM 0 H ALA A 27 0.925 -16.098 -6.341 1.00 0.00 H new ATOM 0 HA ALA A 27 3.668 -16.306 -5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.831 -14.277 -7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.751 -15.494 -7.903 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.066 -14.073 -7.079 1.00 0.00 H new ATOM 370 N SER A 28 4.218 -13.867 -4.675 1.00 0.00 N ATOM 371 CA SER A 28 4.580 -12.926 -3.622 1.00 0.00 C ATOM 372 C SER A 28 4.858 -11.543 -4.201 1.00 0.00 C ATOM 373 O SER A 28 5.922 -11.298 -4.769 1.00 0.00 O ATOM 374 CB SER A 28 5.808 -13.429 -2.860 1.00 0.00 C ATOM 375 OG SER A 28 5.470 -14.504 -2.000 1.00 0.00 O ATOM 0 H SER A 28 4.867 -13.890 -5.462 1.00 0.00 H new ATOM 0 HA SER A 28 3.739 -12.849 -2.932 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.572 -13.752 -3.567 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.237 -12.614 -2.277 1.00 0.00 H new ATOM 0 HG SER A 28 5.810 -14.322 -1.099 1.00 0.00 H new ATOM 381 N ALA A 29 3.893 -10.641 -4.053 1.00 0.00 N ATOM 382 CA ALA A 29 4.034 -9.281 -4.559 1.00 0.00 C ATOM 383 C ALA A 29 4.979 -8.465 -3.684 1.00 0.00 C ATOM 384 O ALA A 29 5.349 -8.888 -2.588 1.00 0.00 O ATOM 385 CB ALA A 29 2.673 -8.606 -4.643 1.00 0.00 C ATOM 0 H ALA A 29 3.005 -10.828 -3.587 1.00 0.00 H new ATOM 0 HA ALA A 29 4.463 -9.334 -5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.793 -7.591 -5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.028 -9.171 -5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.222 -8.572 -3.651 1.00 0.00 H new ATOM 391 N THR A 30 5.367 -7.292 -4.175 1.00 0.00 N ATOM 392 CA THR A 30 6.270 -6.417 -3.439 1.00 0.00 C ATOM 393 C THR A 30 6.074 -4.960 -3.842 1.00 0.00 C ATOM 394 O THR A 30 6.449 -4.554 -4.943 1.00 0.00 O ATOM 395 CB THR A 30 7.743 -6.807 -3.668 1.00 0.00 C ATOM 396 OG1 THR A 30 8.048 -8.009 -2.951 1.00 0.00 O ATOM 397 CG2 THR A 30 8.675 -5.692 -3.220 1.00 0.00 C ATOM 0 H THR A 30 5.070 -6.926 -5.080 1.00 0.00 H new ATOM 0 HA THR A 30 6.031 -6.535 -2.382 1.00 0.00 H new ATOM 0 HB THR A 30 7.890 -6.973 -4.735 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.221 -8.399 -2.600 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.709 -5.991 -3.392 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.460 -4.787 -3.789 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.525 -5.497 -2.158 1.00 0.00 H new ATOM 405 N LEU A 31 5.486 -4.177 -2.944 1.00 0.00 N ATOM 406 CA LEU A 31 5.241 -2.762 -3.206 1.00 0.00 C ATOM 407 C LEU A 31 6.355 -1.899 -2.622 1.00 0.00 C ATOM 408 O LEU A 31 6.353 -1.590 -1.430 1.00 0.00 O ATOM 409 CB LEU A 31 3.893 -2.341 -2.620 1.00 0.00 C ATOM 410 CG LEU A 31 2.779 -3.388 -2.677 1.00 0.00 C ATOM 411 CD1 LEU A 31 1.576 -2.932 -1.866 1.00 0.00 C ATOM 412 CD2 LEU A 31 2.380 -3.663 -4.120 1.00 0.00 C ATOM 0 H LEU A 31 5.170 -4.497 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 31 5.222 -2.616 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.045 -2.058 -1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.553 -1.449 -3.147 1.00 0.00 H new ATOM 0 HG LEU A 31 3.154 -4.314 -2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.794 -3.689 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.872 -2.787 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.199 -1.993 -2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.587 -4.410 -4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.024 -2.742 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.244 -4.034 -4.672 1.00 0.00 H new ATOM 424 N SER A 32 7.303 -1.512 -3.469 1.00 0.00 N ATOM 425 CA SER A 32 8.424 -0.686 -3.036 1.00 0.00 C ATOM 426 C SER A 32 8.083 0.797 -3.154 1.00 0.00 C ATOM 427 O SER A 32 7.174 1.179 -3.892 1.00 0.00 O ATOM 428 CB SER A 32 9.669 -1.002 -3.867 1.00 0.00 C ATOM 429 OG SER A 32 10.726 -0.109 -3.561 1.00 0.00 O ATOM 0 H SER A 32 7.317 -1.757 -4.459 1.00 0.00 H new ATOM 0 HA SER A 32 8.627 -0.913 -1.989 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.987 -2.027 -3.676 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.428 -0.936 -4.928 1.00 0.00 H new ATOM 0 HG SER A 32 11.511 -0.333 -4.104 1.00 0.00 H new ATOM 435 N CYS A 33 8.818 1.626 -2.422 1.00 0.00 N ATOM 436 CA CYS A 33 8.594 3.067 -2.443 1.00 0.00 C ATOM 437 C CYS A 33 9.675 3.797 -1.651 1.00 0.00 C ATOM 438 O CYS A 33 10.029 3.389 -0.546 1.00 0.00 O ATOM 439 CB CYS A 33 7.215 3.399 -1.872 1.00 0.00 C ATOM 440 SG CYS A 33 6.961 2.826 -0.176 1.00 0.00 S ATOM 0 H CYS A 33 9.574 1.325 -1.807 1.00 0.00 H new ATOM 0 HA CYS A 33 8.640 3.401 -3.479 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.070 4.479 -1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.452 2.956 -2.512 1.00 0.00 H new ATOM 0 HG CYS A 33 7.538 1.672 -0.017 1.00 0.00 H new ATOM 446 N GLU A 34 10.195 4.877 -2.226 1.00 0.00 N ATOM 447 CA GLU A 34 11.237 5.661 -1.574 1.00 0.00 C ATOM 448 C GLU A 34 10.632 6.651 -0.582 1.00 0.00 C ATOM 449 O GLU A 34 9.415 6.824 -0.524 1.00 0.00 O ATOM 450 CB GLU A 34 12.069 6.411 -2.616 1.00 0.00 C ATOM 451 CG GLU A 34 13.245 5.608 -3.148 1.00 0.00 C ATOM 452 CD GLU A 34 14.355 6.487 -3.690 1.00 0.00 C ATOM 453 OE1 GLU A 34 14.042 7.552 -4.263 1.00 0.00 O ATOM 454 OE2 GLU A 34 15.536 6.110 -3.541 1.00 0.00 O ATOM 0 H GLU A 34 9.912 5.228 -3.141 1.00 0.00 H new ATOM 0 HA GLU A 34 11.884 4.975 -1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.425 6.692 -3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.441 7.336 -2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.641 4.979 -2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.897 4.941 -3.937 1.00 0.00 H new ATOM 461 N VAL A 35 11.493 7.300 0.196 1.00 0.00 N ATOM 462 CA VAL A 35 11.045 8.273 1.185 1.00 0.00 C ATOM 463 C VAL A 35 12.045 9.416 1.323 1.00 0.00 C ATOM 464 O VAL A 35 13.256 9.204 1.279 1.00 0.00 O ATOM 465 CB VAL A 35 10.839 7.618 2.564 1.00 0.00 C ATOM 466 CG1 VAL A 35 9.510 6.879 2.610 1.00 0.00 C ATOM 467 CG2 VAL A 35 11.992 6.679 2.885 1.00 0.00 C ATOM 0 H VAL A 35 12.504 7.169 0.160 1.00 0.00 H new ATOM 0 HA VAL A 35 10.092 8.667 0.832 1.00 0.00 H new ATOM 0 HB VAL A 35 10.818 8.402 3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.381 6.423 3.591 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.697 7.581 2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.499 6.103 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.830 6.225 3.863 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.047 5.898 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.926 7.240 2.896 1.00 0.00 H new ATOM 477 N ALA A 36 11.528 10.630 1.490 1.00 0.00 N ATOM 478 CA ALA A 36 12.375 11.807 1.636 1.00 0.00 C ATOM 479 C ALA A 36 13.343 11.645 2.803 1.00 0.00 C ATOM 480 O ALA A 36 14.317 12.388 2.921 1.00 0.00 O ATOM 481 CB ALA A 36 11.521 13.051 1.826 1.00 0.00 C ATOM 0 H ALA A 36 10.527 10.823 1.527 1.00 0.00 H new ATOM 0 HA ALA A 36 12.961 11.918 0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.167 13.923 1.934 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.874 13.184 0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.910 12.939 2.722 1.00 0.00 H new ATOM 487 N GLN A 37 13.069 10.669 3.663 1.00 0.00 N ATOM 488 CA GLN A 37 13.916 10.411 4.821 1.00 0.00 C ATOM 489 C GLN A 37 13.725 8.986 5.329 1.00 0.00 C ATOM 490 O GLN A 37 12.604 8.482 5.388 1.00 0.00 O ATOM 491 CB GLN A 37 13.605 11.409 5.939 1.00 0.00 C ATOM 492 CG GLN A 37 13.827 12.858 5.539 1.00 0.00 C ATOM 493 CD GLN A 37 13.841 13.796 6.730 1.00 0.00 C ATOM 494 OE1 GLN A 37 12.791 14.177 7.248 1.00 0.00 O ATOM 495 NE2 GLN A 37 15.035 14.174 7.172 1.00 0.00 N ATOM 0 H GLN A 37 12.267 10.044 3.579 1.00 0.00 H new ATOM 0 HA GLN A 37 14.955 10.531 4.514 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.568 11.281 6.251 1.00 0.00 H new ATOM 0 HB3 GLN A 37 14.228 11.180 6.803 1.00 0.00 H new ATOM 0 HG2 GLN A 37 14.773 12.942 5.004 1.00 0.00 H new ATOM 0 HG3 GLN A 37 13.041 13.165 4.849 1.00 0.00 H new ATOM 0 HE21 GLN A 37 15.880 13.834 6.713 1.00 0.00 H new ATOM 0 HE22 GLN A 37 15.107 14.804 7.971 1.00 0.00 H new ATOM 504 N ALA A 38 14.828 8.340 5.694 1.00 0.00 N ATOM 505 CA ALA A 38 14.782 6.974 6.198 1.00 0.00 C ATOM 506 C ALA A 38 14.275 6.935 7.635 1.00 0.00 C ATOM 507 O ALA A 38 13.326 6.217 7.949 1.00 0.00 O ATOM 508 CB ALA A 38 16.158 6.330 6.104 1.00 0.00 C ATOM 0 H ALA A 38 15.765 8.742 5.650 1.00 0.00 H new ATOM 0 HA ALA A 38 14.085 6.409 5.580 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.109 5.310 6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 38 16.482 6.314 5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 38 16.870 6.904 6.697 1.00 0.00 H new ATOM 514 N GLN A 39 14.915 7.711 8.504 1.00 0.00 N ATOM 515 CA GLN A 39 14.528 7.764 9.909 1.00 0.00 C ATOM 516 C GLN A 39 13.010 7.800 10.055 1.00 0.00 C ATOM 517 O GLN A 39 12.458 7.309 11.041 1.00 0.00 O ATOM 518 CB GLN A 39 15.147 8.989 10.585 1.00 0.00 C ATOM 519 CG GLN A 39 14.620 10.310 10.048 1.00 0.00 C ATOM 520 CD GLN A 39 15.172 11.506 10.798 1.00 0.00 C ATOM 521 OE1 GLN A 39 15.407 11.442 12.005 1.00 0.00 O ATOM 522 NE2 GLN A 39 15.382 12.607 10.086 1.00 0.00 N ATOM 0 H GLN A 39 15.703 8.311 8.260 1.00 0.00 H new ATOM 0 HA GLN A 39 14.900 6.863 10.396 1.00 0.00 H new ATOM 0 HB2 GLN A 39 14.954 8.939 11.657 1.00 0.00 H new ATOM 0 HB3 GLN A 39 16.229 8.958 10.454 1.00 0.00 H new ATOM 0 HG2 GLN A 39 14.877 10.397 8.992 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.532 10.316 10.112 1.00 0.00 H new ATOM 0 HE21 GLN A 39 15.173 12.616 9.088 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.752 13.443 10.537 1.00 0.00 H new ATOM 531 N THR A 40 12.339 8.385 9.068 1.00 0.00 N ATOM 532 CA THR A 40 10.886 8.487 9.087 1.00 0.00 C ATOM 533 C THR A 40 10.237 7.108 9.045 1.00 0.00 C ATOM 534 O THR A 40 10.600 6.267 8.223 1.00 0.00 O ATOM 535 CB THR A 40 10.365 9.322 7.902 1.00 0.00 C ATOM 536 OG1 THR A 40 10.580 10.715 8.153 1.00 0.00 O ATOM 537 CG2 THR A 40 8.884 9.066 7.669 1.00 0.00 C ATOM 0 H THR A 40 12.780 8.796 8.245 1.00 0.00 H new ATOM 0 HA THR A 40 10.617 8.985 10.019 1.00 0.00 H new ATOM 0 HB THR A 40 10.913 9.025 7.008 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.248 11.239 7.395 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.539 9.667 6.827 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.727 8.010 7.449 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.323 9.338 8.563 1.00 0.00 H new ATOM 545 N GLU A 41 9.277 6.883 9.936 1.00 0.00 N ATOM 546 CA GLU A 41 8.579 5.604 10.000 1.00 0.00 C ATOM 547 C GLU A 41 7.345 5.613 9.102 1.00 0.00 C ATOM 548 O GLU A 41 6.719 6.653 8.898 1.00 0.00 O ATOM 549 CB GLU A 41 8.172 5.291 11.441 1.00 0.00 C ATOM 550 CG GLU A 41 6.958 6.073 11.914 1.00 0.00 C ATOM 551 CD GLU A 41 6.457 5.609 13.268 1.00 0.00 C ATOM 552 OE1 GLU A 41 6.033 4.439 13.374 1.00 0.00 O ATOM 553 OE2 GLU A 41 6.488 6.415 14.221 1.00 0.00 O ATOM 0 H GLU A 41 8.965 7.569 10.623 1.00 0.00 H new ATOM 0 HA GLU A 41 9.260 4.830 9.646 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.963 4.225 11.527 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.012 5.506 12.102 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.211 7.132 11.968 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.158 5.973 11.181 1.00 0.00 H new ATOM 560 N VAL A 42 7.001 4.445 8.567 1.00 0.00 N ATOM 561 CA VAL A 42 5.843 4.317 7.691 1.00 0.00 C ATOM 562 C VAL A 42 4.862 3.280 8.226 1.00 0.00 C ATOM 563 O VAL A 42 5.137 2.600 9.216 1.00 0.00 O ATOM 564 CB VAL A 42 6.260 3.923 6.262 1.00 0.00 C ATOM 565 CG1 VAL A 42 7.512 4.680 5.844 1.00 0.00 C ATOM 566 CG2 VAL A 42 6.478 2.421 6.166 1.00 0.00 C ATOM 0 H VAL A 42 7.508 3.574 8.725 1.00 0.00 H new ATOM 0 HA VAL A 42 5.358 5.293 7.663 1.00 0.00 H new ATOM 0 HB VAL A 42 5.455 4.194 5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.792 4.389 4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.316 5.752 5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.326 4.442 6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.772 2.160 5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.264 2.122 6.859 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.554 1.902 6.421 1.00 0.00 H new ATOM 576 N THR A 43 3.714 3.163 7.565 1.00 0.00 N ATOM 577 CA THR A 43 2.691 2.209 7.974 1.00 0.00 C ATOM 578 C THR A 43 1.710 1.935 6.840 1.00 0.00 C ATOM 579 O THR A 43 0.862 2.770 6.525 1.00 0.00 O ATOM 580 CB THR A 43 1.910 2.714 9.202 1.00 0.00 C ATOM 581 OG1 THR A 43 2.811 2.958 10.289 1.00 0.00 O ATOM 582 CG2 THR A 43 0.856 1.703 9.627 1.00 0.00 C ATOM 0 H THR A 43 3.470 3.717 6.744 1.00 0.00 H new ATOM 0 HA THR A 43 3.207 1.285 8.236 1.00 0.00 H new ATOM 0 HB THR A 43 1.409 3.643 8.930 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.658 2.495 10.122 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.318 2.082 10.496 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.155 1.542 8.808 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.339 0.760 9.882 1.00 0.00 H new ATOM 590 N TRP A 44 1.830 0.762 6.230 1.00 0.00 N ATOM 591 CA TRP A 44 0.952 0.378 5.131 1.00 0.00 C ATOM 592 C TRP A 44 -0.492 0.257 5.604 1.00 0.00 C ATOM 593 O TRP A 44 -0.750 -0.080 6.760 1.00 0.00 O ATOM 594 CB TRP A 44 1.414 -0.946 4.519 1.00 0.00 C ATOM 595 CG TRP A 44 2.814 -0.897 3.986 1.00 0.00 C ATOM 596 CD1 TRP A 44 3.966 -1.128 4.683 1.00 0.00 C ATOM 597 CD2 TRP A 44 3.209 -0.596 2.643 1.00 0.00 C ATOM 598 NE1 TRP A 44 5.053 -0.989 3.854 1.00 0.00 N ATOM 599 CE2 TRP A 44 4.616 -0.664 2.597 1.00 0.00 C ATOM 600 CE3 TRP A 44 2.512 -0.278 1.474 1.00 0.00 C ATOM 601 CZ2 TRP A 44 5.335 -0.424 1.429 1.00 0.00 C ATOM 602 CZ3 TRP A 44 3.227 -0.040 0.316 1.00 0.00 C ATOM 603 CH2 TRP A 44 4.626 -0.115 0.300 1.00 0.00 C ATOM 0 H TRP A 44 2.527 0.060 6.478 1.00 0.00 H new ATOM 0 HA TRP A 44 1.001 1.158 4.371 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.347 -1.730 5.274 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.735 -1.222 3.712 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.015 -1.382 5.731 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.028 -1.108 4.130 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.434 -0.219 1.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.413 -0.480 1.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.698 0.208 -0.593 1.00 0.00 H new ATOM 0 HH2 TRP A 44 5.156 0.075 -0.622 1.00 0.00 H new ATOM 614 N TYR A 45 -1.430 0.532 4.704 1.00 0.00 N ATOM 615 CA TYR A 45 -2.849 0.456 5.032 1.00 0.00 C ATOM 616 C TYR A 45 -3.637 -0.183 3.892 1.00 0.00 C ATOM 617 O TYR A 45 -3.632 0.311 2.764 1.00 0.00 O ATOM 618 CB TYR A 45 -3.401 1.851 5.329 1.00 0.00 C ATOM 619 CG TYR A 45 -2.992 2.387 6.683 1.00 0.00 C ATOM 620 CD1 TYR A 45 -3.596 1.926 7.846 1.00 0.00 C ATOM 621 CD2 TYR A 45 -2.004 3.357 6.798 1.00 0.00 C ATOM 622 CE1 TYR A 45 -3.227 2.414 9.084 1.00 0.00 C ATOM 623 CE2 TYR A 45 -1.627 3.849 8.032 1.00 0.00 C ATOM 624 CZ TYR A 45 -2.241 3.375 9.172 1.00 0.00 C ATOM 625 OH TYR A 45 -1.869 3.864 10.404 1.00 0.00 O ATOM 0 H TYR A 45 -1.233 0.809 3.742 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.958 -0.167 5.920 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.060 2.540 4.556 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.489 1.822 5.272 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.367 1.173 7.781 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.523 3.733 5.907 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.708 2.045 9.978 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.855 4.601 8.104 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.162 4.533 10.291 1.00 0.00 H new ATOM 635 N LYS A 46 -4.315 -1.285 4.195 1.00 0.00 N ATOM 636 CA LYS A 46 -5.111 -1.993 3.199 1.00 0.00 C ATOM 637 C LYS A 46 -6.600 -1.747 3.418 1.00 0.00 C ATOM 638 O LYS A 46 -7.140 -2.054 4.481 1.00 0.00 O ATOM 639 CB LYS A 46 -4.817 -3.494 3.255 1.00 0.00 C ATOM 640 CG LYS A 46 -5.291 -4.252 2.027 1.00 0.00 C ATOM 641 CD LYS A 46 -5.119 -5.752 2.197 1.00 0.00 C ATOM 642 CE LYS A 46 -5.845 -6.524 1.106 1.00 0.00 C ATOM 643 NZ LYS A 46 -7.263 -6.797 1.468 1.00 0.00 N ATOM 0 H LYS A 46 -4.329 -1.707 5.123 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.839 -1.612 2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.743 -3.641 3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.294 -3.917 4.139 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.340 -4.024 1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.732 -3.917 1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.058 -6.002 2.177 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.499 -6.055 3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.811 -5.957 0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.329 -7.467 0.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.534 -7.740 1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.370 -6.763 2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.877 -6.079 1.033 1.00 0.00 H new ATOM 657 N ASP A 47 -7.258 -1.193 2.406 1.00 0.00 N ATOM 658 CA ASP A 47 -8.686 -0.908 2.487 1.00 0.00 C ATOM 659 C ASP A 47 -9.026 -0.200 3.795 1.00 0.00 C ATOM 660 O ASP A 47 -9.999 -0.544 4.465 1.00 0.00 O ATOM 661 CB ASP A 47 -9.493 -2.202 2.369 1.00 0.00 C ATOM 662 CG ASP A 47 -10.954 -1.947 2.052 1.00 0.00 C ATOM 663 OD1 ASP A 47 -11.246 -1.507 0.920 1.00 0.00 O ATOM 664 OD2 ASP A 47 -11.804 -2.186 2.935 1.00 0.00 O ATOM 0 H ASP A 47 -6.826 -0.932 1.520 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.947 -0.249 1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.059 -2.828 1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.419 -2.759 3.303 1.00 0.00 H new ATOM 669 N GLY A 48 -8.216 0.792 4.153 1.00 0.00 N ATOM 670 CA GLY A 48 -8.446 1.532 5.379 1.00 0.00 C ATOM 671 C GLY A 48 -8.283 0.671 6.616 1.00 0.00 C ATOM 672 O GLY A 48 -9.061 0.778 7.564 1.00 0.00 O ATOM 0 H GLY A 48 -7.404 1.096 3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.751 2.370 5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.452 1.952 5.363 1.00 0.00 H new ATOM 676 N LYS A 49 -7.269 -0.188 6.607 1.00 0.00 N ATOM 677 CA LYS A 49 -7.006 -1.073 7.735 1.00 0.00 C ATOM 678 C LYS A 49 -5.508 -1.182 8.003 1.00 0.00 C ATOM 679 O LYS A 49 -4.739 -1.590 7.132 1.00 0.00 O ATOM 680 CB LYS A 49 -7.589 -2.463 7.468 1.00 0.00 C ATOM 681 CG LYS A 49 -9.092 -2.460 7.250 1.00 0.00 C ATOM 682 CD LYS A 49 -9.845 -2.602 8.562 1.00 0.00 C ATOM 683 CE LYS A 49 -11.343 -2.423 8.368 1.00 0.00 C ATOM 684 NZ LYS A 49 -12.068 -2.361 9.667 1.00 0.00 N ATOM 0 H LYS A 49 -6.616 -0.290 5.830 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.486 -0.648 8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.104 -2.889 6.590 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.354 -3.114 8.310 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.388 -1.533 6.758 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.366 -3.277 6.582 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.648 -3.584 8.991 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.479 -1.863 9.275 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.529 -1.509 7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.733 -3.249 7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.086 -2.239 9.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.911 -3.244 10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.714 -1.557 10.224 1.00 0.00 H new ATOM 698 N LYS A 50 -5.099 -0.816 9.213 1.00 0.00 N ATOM 699 CA LYS A 50 -3.694 -0.875 9.597 1.00 0.00 C ATOM 700 C LYS A 50 -3.124 -2.270 9.362 1.00 0.00 C ATOM 701 O LYS A 50 -3.413 -3.204 10.111 1.00 0.00 O ATOM 702 CB LYS A 50 -3.530 -0.486 11.068 1.00 0.00 C ATOM 703 CG LYS A 50 -2.081 -0.362 11.506 1.00 0.00 C ATOM 704 CD LYS A 50 -1.972 0.079 12.956 1.00 0.00 C ATOM 705 CE LYS A 50 -2.036 1.594 13.084 1.00 0.00 C ATOM 706 NZ LYS A 50 -2.203 2.024 14.499 1.00 0.00 N ATOM 0 H LYS A 50 -5.722 -0.475 9.945 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.143 -0.168 8.977 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.036 0.463 11.243 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.026 -1.231 11.690 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.578 -1.320 11.378 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.567 0.356 10.867 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.778 -0.371 13.536 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.035 -0.284 13.378 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.125 2.032 12.677 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.866 1.974 12.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.242 3.062 14.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.085 1.627 14.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.398 1.683 15.063 1.00 0.00 H new ATOM 720 N LEU A 51 -2.311 -2.404 8.320 1.00 0.00 N ATOM 721 CA LEU A 51 -1.698 -3.685 7.988 1.00 0.00 C ATOM 722 C LEU A 51 -0.712 -4.114 9.069 1.00 0.00 C ATOM 723 O LEU A 51 0.001 -3.287 9.636 1.00 0.00 O ATOM 724 CB LEU A 51 -0.985 -3.597 6.637 1.00 0.00 C ATOM 725 CG LEU A 51 -1.884 -3.625 5.400 1.00 0.00 C ATOM 726 CD1 LEU A 51 -1.153 -3.053 4.196 1.00 0.00 C ATOM 727 CD2 LEU A 51 -2.355 -5.044 5.116 1.00 0.00 C ATOM 0 H LEU A 51 -2.061 -1.641 7.691 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.489 -4.433 7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.401 -2.677 6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.279 -4.424 6.567 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.759 -3.005 5.596 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.808 -3.081 3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.866 -2.022 4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.260 -3.646 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.994 -5.045 4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.492 -5.686 4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.918 -5.419 5.971 1.00 0.00 H new ATOM 739 N SER A 52 -0.676 -5.413 9.348 1.00 0.00 N ATOM 740 CA SER A 52 0.222 -5.952 10.363 1.00 0.00 C ATOM 741 C SER A 52 1.285 -6.845 9.729 1.00 0.00 C ATOM 742 O SER A 52 0.971 -7.750 8.956 1.00 0.00 O ATOM 743 CB SER A 52 -0.569 -6.744 11.406 1.00 0.00 C ATOM 744 OG SER A 52 0.297 -7.486 12.247 1.00 0.00 O ATOM 0 H SER A 52 -1.258 -6.112 8.886 1.00 0.00 H new ATOM 0 HA SER A 52 0.720 -5.115 10.853 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.169 -6.061 12.008 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.262 -7.420 10.905 1.00 0.00 H new ATOM 0 HG SER A 52 -0.233 -7.982 12.906 1.00 0.00 H new ATOM 750 N SER A 53 2.545 -6.582 10.062 1.00 0.00 N ATOM 751 CA SER A 53 3.656 -7.357 9.523 1.00 0.00 C ATOM 752 C SER A 53 3.625 -8.789 10.050 1.00 0.00 C ATOM 753 O SER A 53 4.112 -9.069 11.145 1.00 0.00 O ATOM 754 CB SER A 53 4.988 -6.698 9.884 1.00 0.00 C ATOM 755 OG SER A 53 5.105 -6.516 11.284 1.00 0.00 O ATOM 0 H SER A 53 2.822 -5.838 10.703 1.00 0.00 H new ATOM 0 HA SER A 53 3.555 -7.385 8.438 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.812 -7.315 9.524 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.068 -5.734 9.381 1.00 0.00 H new ATOM 0 HG SER A 53 4.865 -7.348 11.743 1.00 0.00 H new ATOM 761 N SER A 54 3.049 -9.691 9.262 1.00 0.00 N ATOM 762 CA SER A 54 2.951 -11.093 9.649 1.00 0.00 C ATOM 763 C SER A 54 3.527 -11.998 8.565 1.00 0.00 C ATOM 764 O SER A 54 3.836 -11.545 7.463 1.00 0.00 O ATOM 765 CB SER A 54 1.492 -11.468 9.920 1.00 0.00 C ATOM 766 OG SER A 54 1.406 -12.625 10.733 1.00 0.00 O ATOM 0 H SER A 54 2.643 -9.476 8.351 1.00 0.00 H new ATOM 0 HA SER A 54 3.531 -11.234 10.561 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.984 -10.637 10.410 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.977 -11.644 8.976 1.00 0.00 H new ATOM 0 HG SER A 54 0.464 -12.843 10.893 1.00 0.00 H new ATOM 772 N SER A 55 3.669 -13.280 8.887 1.00 0.00 N ATOM 773 CA SER A 55 4.212 -14.249 7.943 1.00 0.00 C ATOM 774 C SER A 55 3.725 -13.960 6.526 1.00 0.00 C ATOM 775 O SER A 55 4.461 -14.135 5.555 1.00 0.00 O ATOM 776 CB SER A 55 3.815 -15.669 8.351 1.00 0.00 C ATOM 777 OG SER A 55 2.420 -15.870 8.205 1.00 0.00 O ATOM 0 H SER A 55 3.416 -13.671 9.794 1.00 0.00 H new ATOM 0 HA SER A 55 5.299 -14.164 7.959 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.356 -16.391 7.739 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.105 -15.848 9.386 1.00 0.00 H new ATOM 0 HG SER A 55 2.192 -16.785 8.470 1.00 0.00 H new ATOM 783 N LYS A 56 2.477 -13.516 6.416 1.00 0.00 N ATOM 784 CA LYS A 56 1.888 -13.201 5.120 1.00 0.00 C ATOM 785 C LYS A 56 2.523 -11.949 4.524 1.00 0.00 C ATOM 786 O LYS A 56 3.142 -12.000 3.461 1.00 0.00 O ATOM 787 CB LYS A 56 0.377 -13.003 5.258 1.00 0.00 C ATOM 788 CG LYS A 56 -0.374 -14.276 5.609 1.00 0.00 C ATOM 789 CD LYS A 56 -1.858 -14.147 5.311 1.00 0.00 C ATOM 790 CE LYS A 56 -2.167 -14.487 3.860 1.00 0.00 C ATOM 791 NZ LYS A 56 -3.548 -15.020 3.697 1.00 0.00 N ATOM 0 H LYS A 56 1.854 -13.366 7.210 1.00 0.00 H new ATOM 0 HA LYS A 56 2.079 -14.039 4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.186 -12.255 6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.016 -12.606 4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.040 -15.111 5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.232 -14.504 6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.421 -14.809 5.969 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.186 -13.130 5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.047 -13.595 3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.449 -15.223 3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.719 -15.239 2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.655 -15.885 4.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.235 -14.308 4.018 1.00 0.00 H new ATOM 805 N VAL A 57 2.368 -10.825 5.217 1.00 0.00 N ATOM 806 CA VAL A 57 2.929 -9.560 4.757 1.00 0.00 C ATOM 807 C VAL A 57 4.147 -9.165 5.585 1.00 0.00 C ATOM 808 O VAL A 57 4.107 -9.187 6.816 1.00 0.00 O ATOM 809 CB VAL A 57 1.888 -8.427 4.823 1.00 0.00 C ATOM 810 CG1 VAL A 57 2.475 -7.129 4.291 1.00 0.00 C ATOM 811 CG2 VAL A 57 0.634 -8.811 4.051 1.00 0.00 C ATOM 0 H VAL A 57 1.859 -10.765 6.099 1.00 0.00 H new ATOM 0 HA VAL A 57 3.230 -9.706 3.720 1.00 0.00 H new ATOM 0 HB VAL A 57 1.612 -8.271 5.866 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.724 -6.341 4.346 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.341 -6.848 4.891 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.782 -7.266 3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.091 -7.999 4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.891 -8.995 3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.203 -9.714 4.483 1.00 0.00 H new ATOM 821 N ARG A 58 5.228 -8.804 4.903 1.00 0.00 N ATOM 822 CA ARG A 58 6.458 -8.404 5.576 1.00 0.00 C ATOM 823 C ARG A 58 6.823 -6.964 5.230 1.00 0.00 C ATOM 824 O ARG A 58 7.108 -6.644 4.076 1.00 0.00 O ATOM 825 CB ARG A 58 7.604 -9.340 5.186 1.00 0.00 C ATOM 826 CG ARG A 58 8.976 -8.821 5.585 1.00 0.00 C ATOM 827 CD ARG A 58 10.085 -9.544 4.837 1.00 0.00 C ATOM 828 NE ARG A 58 10.076 -10.981 5.101 1.00 0.00 N ATOM 829 CZ ARG A 58 10.408 -11.515 6.271 1.00 0.00 C ATOM 830 NH1 ARG A 58 10.771 -10.735 7.280 1.00 0.00 N ATOM 831 NH2 ARG A 58 10.375 -12.831 6.434 1.00 0.00 N ATOM 0 H ARG A 58 5.278 -8.780 3.884 1.00 0.00 H new ATOM 0 HA ARG A 58 6.293 -8.470 6.651 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.443 -10.312 5.652 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.583 -9.496 4.107 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.035 -7.752 5.381 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.116 -8.949 6.658 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.973 -9.371 3.767 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.050 -9.128 5.128 1.00 0.00 H new ATOM 0 HE ARG A 58 9.800 -11.608 4.346 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.796 -9.723 7.159 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.025 -11.147 8.178 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.095 -13.434 5.660 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.630 -13.240 7.333 1.00 0.00 H new ATOM 845 N VAL A 59 6.813 -6.098 6.239 1.00 0.00 N ATOM 846 CA VAL A 59 7.144 -4.692 6.043 1.00 0.00 C ATOM 847 C VAL A 59 8.652 -4.472 6.073 1.00 0.00 C ATOM 848 O VAL A 59 9.240 -4.285 7.138 1.00 0.00 O ATOM 849 CB VAL A 59 6.485 -3.805 7.117 1.00 0.00 C ATOM 850 CG1 VAL A 59 7.003 -2.378 7.022 1.00 0.00 C ATOM 851 CG2 VAL A 59 4.971 -3.841 6.981 1.00 0.00 C ATOM 0 H VAL A 59 6.579 -6.346 7.200 1.00 0.00 H new ATOM 0 HA VAL A 59 6.759 -4.410 5.063 1.00 0.00 H new ATOM 0 HB VAL A 59 6.748 -4.197 8.099 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.527 -1.766 7.788 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.083 -2.372 7.172 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.772 -1.972 6.037 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.522 -3.209 7.747 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.685 -3.474 5.995 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.619 -4.865 7.103 1.00 0.00 H new ATOM 861 N GLU A 60 9.272 -4.497 4.897 1.00 0.00 N ATOM 862 CA GLU A 60 10.713 -4.301 4.790 1.00 0.00 C ATOM 863 C GLU A 60 11.056 -2.816 4.716 1.00 0.00 C ATOM 864 O GLU A 60 10.406 -2.053 4.002 1.00 0.00 O ATOM 865 CB GLU A 60 11.258 -5.024 3.557 1.00 0.00 C ATOM 866 CG GLU A 60 11.688 -6.455 3.831 1.00 0.00 C ATOM 867 CD GLU A 60 12.886 -6.538 4.757 1.00 0.00 C ATOM 868 OE1 GLU A 60 14.013 -6.258 4.297 1.00 0.00 O ATOM 869 OE2 GLU A 60 12.696 -6.881 5.942 1.00 0.00 O ATOM 0 H GLU A 60 8.799 -4.651 4.006 1.00 0.00 H new ATOM 0 HA GLU A 60 11.178 -4.719 5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.494 -5.026 2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.109 -4.466 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.855 -7.003 4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.928 -6.945 2.887 1.00 0.00 H new ATOM 876 N ALA A 61 12.083 -2.414 5.458 1.00 0.00 N ATOM 877 CA ALA A 61 12.513 -1.021 5.476 1.00 0.00 C ATOM 878 C ALA A 61 14.020 -0.910 5.267 1.00 0.00 C ATOM 879 O ALA A 61 14.802 -1.111 6.196 1.00 0.00 O ATOM 880 CB ALA A 61 12.110 -0.361 6.785 1.00 0.00 C ATOM 0 H ALA A 61 12.632 -3.033 6.054 1.00 0.00 H new ATOM 0 HA ALA A 61 12.019 -0.503 4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.438 0.679 6.784 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.026 -0.400 6.894 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.577 -0.888 7.617 1.00 0.00 H new ATOM 886 N VAL A 62 14.421 -0.590 4.040 1.00 0.00 N ATOM 887 CA VAL A 62 15.834 -0.452 3.710 1.00 0.00 C ATOM 888 C VAL A 62 16.181 0.994 3.374 1.00 0.00 C ATOM 889 O VAL A 62 15.324 1.875 3.416 1.00 0.00 O ATOM 890 CB VAL A 62 16.222 -1.351 2.521 1.00 0.00 C ATOM 891 CG1 VAL A 62 16.294 -2.807 2.953 1.00 0.00 C ATOM 892 CG2 VAL A 62 15.237 -1.174 1.375 1.00 0.00 C ATOM 0 H VAL A 62 13.787 -0.422 3.259 1.00 0.00 H new ATOM 0 HA VAL A 62 16.397 -0.762 4.590 1.00 0.00 H new ATOM 0 HB VAL A 62 17.210 -1.052 2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.569 -3.427 2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 62 17.042 -2.917 3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 62 15.322 -3.123 3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.527 -1.817 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.236 -1.444 1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 62 15.242 -0.134 1.048 1.00 0.00 H new ATOM 902 N GLY A 63 17.446 1.231 3.041 1.00 0.00 N ATOM 903 CA GLY A 63 17.885 2.573 2.703 1.00 0.00 C ATOM 904 C GLY A 63 16.826 3.358 1.955 1.00 0.00 C ATOM 905 O GLY A 63 16.538 3.073 0.791 1.00 0.00 O ATOM 0 H GLY A 63 18.175 0.518 2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.151 3.106 3.616 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.787 2.514 2.094 1.00 0.00 H new ATOM 909 N CYS A 64 16.243 4.347 2.623 1.00 0.00 N ATOM 910 CA CYS A 64 15.208 5.175 2.015 1.00 0.00 C ATOM 911 C CYS A 64 14.363 4.360 1.041 1.00 0.00 C ATOM 912 O CYS A 64 14.109 4.786 -0.086 1.00 0.00 O ATOM 913 CB CYS A 64 15.837 6.365 1.290 1.00 0.00 C ATOM 914 SG CYS A 64 16.663 5.933 -0.260 1.00 0.00 S ATOM 0 H CYS A 64 16.470 4.595 3.586 1.00 0.00 H new ATOM 0 HA CYS A 64 14.560 5.545 2.810 1.00 0.00 H new ATOM 0 HB2 CYS A 64 15.061 7.102 1.083 1.00 0.00 H new ATOM 0 HB3 CYS A 64 16.559 6.841 1.954 1.00 0.00 H new ATOM 0 HG CYS A 64 16.863 4.649 -0.302 1.00 0.00 H new ATOM 920 N THR A 65 13.930 3.183 1.483 1.00 0.00 N ATOM 921 CA THR A 65 13.116 2.306 0.650 1.00 0.00 C ATOM 922 C THR A 65 12.234 1.401 1.502 1.00 0.00 C ATOM 923 O THR A 65 12.729 0.637 2.331 1.00 0.00 O ATOM 924 CB THR A 65 13.991 1.433 -0.269 1.00 0.00 C ATOM 925 OG1 THR A 65 14.460 2.206 -1.379 1.00 0.00 O ATOM 926 CG2 THR A 65 13.210 0.230 -0.777 1.00 0.00 C ATOM 0 H THR A 65 14.130 2.815 2.413 1.00 0.00 H new ATOM 0 HA THR A 65 12.486 2.949 0.036 1.00 0.00 H new ATOM 0 HB THR A 65 14.843 1.076 0.310 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.380 3.160 -1.170 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.849 -0.372 -1.424 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.880 -0.373 0.069 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.342 0.571 -1.340 1.00 0.00 H new ATOM 934 N ARG A 66 10.924 1.493 1.293 1.00 0.00 N ATOM 935 CA ARG A 66 9.973 0.682 2.044 1.00 0.00 C ATOM 936 C ARG A 66 9.200 -0.250 1.114 1.00 0.00 C ATOM 937 O ARG A 66 8.346 0.192 0.346 1.00 0.00 O ATOM 938 CB ARG A 66 8.998 1.579 2.809 1.00 0.00 C ATOM 939 CG ARG A 66 9.683 2.626 3.672 1.00 0.00 C ATOM 940 CD ARG A 66 10.262 2.014 4.937 1.00 0.00 C ATOM 941 NE ARG A 66 10.908 3.013 5.784 1.00 0.00 N ATOM 942 CZ ARG A 66 12.143 3.459 5.582 1.00 0.00 C ATOM 943 NH1 ARG A 66 12.862 2.996 4.569 1.00 0.00 N ATOM 944 NH2 ARG A 66 12.662 4.370 6.396 1.00 0.00 N ATOM 0 H ARG A 66 10.498 2.120 0.611 1.00 0.00 H new ATOM 0 HA ARG A 66 10.533 0.075 2.756 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.343 2.080 2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.365 0.957 3.441 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.479 3.105 3.101 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.968 3.404 3.938 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.467 1.523 5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.986 1.244 4.669 1.00 0.00 H new ATOM 0 HE ARG A 66 10.383 3.389 6.573 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.467 2.295 3.942 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.810 3.341 4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.113 4.728 7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.610 4.712 6.240 1.00 0.00 H new ATOM 958 N ARG A 67 9.508 -1.540 1.190 1.00 0.00 N ATOM 959 CA ARG A 67 8.844 -2.534 0.354 1.00 0.00 C ATOM 960 C ARG A 67 7.951 -3.442 1.195 1.00 0.00 C ATOM 961 O ARG A 67 8.292 -3.791 2.326 1.00 0.00 O ATOM 962 CB ARG A 67 9.879 -3.373 -0.398 1.00 0.00 C ATOM 963 CG ARG A 67 10.657 -4.324 0.496 1.00 0.00 C ATOM 964 CD ARG A 67 11.808 -4.978 -0.254 1.00 0.00 C ATOM 965 NE ARG A 67 11.338 -5.964 -1.224 1.00 0.00 N ATOM 966 CZ ARG A 67 12.136 -6.840 -1.825 1.00 0.00 C ATOM 967 NH1 ARG A 67 13.434 -6.853 -1.557 1.00 0.00 N ATOM 968 NH2 ARG A 67 11.634 -7.706 -2.697 1.00 0.00 N ATOM 0 H ARG A 67 10.212 -1.922 1.821 1.00 0.00 H new ATOM 0 HA ARG A 67 8.220 -2.007 -0.368 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.374 -3.948 -1.174 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.579 -2.706 -0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.045 -3.780 1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.988 -5.094 0.880 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.388 -4.212 -0.768 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.477 -5.460 0.458 1.00 0.00 H new ATOM 0 HE ARG A 67 10.344 -5.981 -1.452 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.823 -6.189 -0.888 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.044 -7.527 -2.020 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.636 -7.699 -2.906 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.247 -8.378 -3.158 1.00 0.00 H new ATOM 982 N LEU A 68 6.808 -3.821 0.635 1.00 0.00 N ATOM 983 CA LEU A 68 5.865 -4.689 1.333 1.00 0.00 C ATOM 984 C LEU A 68 5.659 -5.994 0.570 1.00 0.00 C ATOM 985 O LEU A 68 4.958 -6.030 -0.441 1.00 0.00 O ATOM 986 CB LEU A 68 4.525 -3.975 1.516 1.00 0.00 C ATOM 987 CG LEU A 68 3.511 -4.673 2.424 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.683 -4.220 3.865 1.00 0.00 C ATOM 989 CD2 LEU A 68 2.092 -4.405 1.944 1.00 0.00 C ATOM 0 H LEU A 68 6.511 -3.541 -0.300 1.00 0.00 H new ATOM 0 HA LEU A 68 6.281 -4.924 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.718 -2.980 1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.071 -3.840 0.534 1.00 0.00 H new ATOM 0 HG LEU A 68 3.692 -5.747 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.953 -4.727 4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.689 -4.465 4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.531 -3.143 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.384 -4.909 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.900 -3.332 1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.974 -4.781 0.928 1.00 0.00 H new ATOM 1001 N VAL A 69 6.273 -7.064 1.063 1.00 0.00 N ATOM 1002 CA VAL A 69 6.154 -8.373 0.431 1.00 0.00 C ATOM 1003 C VAL A 69 4.878 -9.082 0.870 1.00 0.00 C ATOM 1004 O VAL A 69 4.697 -9.385 2.049 1.00 0.00 O ATOM 1005 CB VAL A 69 7.364 -9.267 0.759 1.00 0.00 C ATOM 1006 CG1 VAL A 69 7.311 -10.555 -0.048 1.00 0.00 C ATOM 1007 CG2 VAL A 69 8.664 -8.520 0.502 1.00 0.00 C ATOM 0 H VAL A 69 6.858 -7.051 1.898 1.00 0.00 H new ATOM 0 HA VAL A 69 6.119 -8.202 -0.645 1.00 0.00 H new ATOM 0 HB VAL A 69 7.325 -9.528 1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.174 -11.174 0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.396 -11.097 0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.325 -10.319 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.508 -9.167 0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.714 -8.228 -0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.702 -7.629 1.129 1.00 0.00 H new ATOM 1017 N VAL A 70 3.994 -9.345 -0.088 1.00 0.00 N ATOM 1018 CA VAL A 70 2.734 -10.020 0.199 1.00 0.00 C ATOM 1019 C VAL A 70 2.788 -11.485 -0.218 1.00 0.00 C ATOM 1020 O VAL A 70 2.495 -11.825 -1.364 1.00 0.00 O ATOM 1021 CB VAL A 70 1.555 -9.337 -0.518 1.00 0.00 C ATOM 1022 CG1 VAL A 70 0.274 -10.132 -0.316 1.00 0.00 C ATOM 1023 CG2 VAL A 70 1.388 -7.907 -0.025 1.00 0.00 C ATOM 0 H VAL A 70 4.128 -9.101 -1.069 1.00 0.00 H new ATOM 0 HA VAL A 70 2.580 -9.957 1.276 1.00 0.00 H new ATOM 0 HB VAL A 70 1.771 -9.306 -1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.548 -9.634 -0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.401 -11.136 -0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.050 -10.197 0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.550 -7.439 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.195 -7.912 1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.299 -7.344 -0.227 1.00 0.00 H new ATOM 1033 N GLN A 71 3.165 -12.348 0.720 1.00 0.00 N ATOM 1034 CA GLN A 71 3.258 -13.778 0.448 1.00 0.00 C ATOM 1035 C GLN A 71 1.881 -14.368 0.161 1.00 0.00 C ATOM 1036 O GLN A 71 0.894 -14.000 0.796 1.00 0.00 O ATOM 1037 CB GLN A 71 3.900 -14.503 1.633 1.00 0.00 C ATOM 1038 CG GLN A 71 5.254 -13.938 2.031 1.00 0.00 C ATOM 1039 CD GLN A 71 6.159 -14.980 2.658 1.00 0.00 C ATOM 1040 OE1 GLN A 71 5.712 -16.066 3.028 1.00 0.00 O ATOM 1041 NE2 GLN A 71 7.440 -14.654 2.781 1.00 0.00 N ATOM 0 H GLN A 71 3.411 -12.083 1.674 1.00 0.00 H new ATOM 0 HA GLN A 71 3.883 -13.915 -0.435 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.227 -14.449 2.489 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.015 -15.558 1.384 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.742 -13.520 1.150 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.109 -13.118 2.734 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.767 -13.743 2.461 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.097 -15.315 3.196 1.00 0.00 H new ATOM 1050 N GLN A 72 1.825 -15.284 -0.800 1.00 0.00 N ATOM 1051 CA GLN A 72 0.568 -15.924 -1.172 1.00 0.00 C ATOM 1052 C GLN A 72 -0.469 -14.886 -1.587 1.00 0.00 C ATOM 1053 O GLN A 72 -1.605 -14.906 -1.113 1.00 0.00 O ATOM 1054 CB GLN A 72 0.034 -16.760 -0.008 1.00 0.00 C ATOM 1055 CG GLN A 72 0.737 -18.098 0.153 1.00 0.00 C ATOM 1056 CD GLN A 72 0.490 -18.728 1.510 1.00 0.00 C ATOM 1057 OE1 GLN A 72 -0.613 -19.193 1.800 1.00 0.00 O ATOM 1058 NE2 GLN A 72 1.518 -18.746 2.350 1.00 0.00 N ATOM 0 H GLN A 72 2.634 -15.600 -1.335 1.00 0.00 H new ATOM 0 HA GLN A 72 0.760 -16.579 -2.022 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.139 -16.191 0.915 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.032 -16.934 -0.156 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.396 -18.779 -0.627 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.809 -17.960 0.010 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.414 -18.349 2.068 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.412 -19.157 3.278 1.00 0.00 H new ATOM 1067 N ALA A 73 -0.071 -13.980 -2.473 1.00 0.00 N ATOM 1068 CA ALA A 73 -0.967 -12.935 -2.953 1.00 0.00 C ATOM 1069 C ALA A 73 -2.248 -13.531 -3.527 1.00 0.00 C ATOM 1070 O ALA A 73 -2.270 -14.004 -4.662 1.00 0.00 O ATOM 1071 CB ALA A 73 -0.267 -12.078 -3.998 1.00 0.00 C ATOM 0 H ALA A 73 0.867 -13.948 -2.873 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.238 -12.306 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.948 -11.302 -4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.616 -11.615 -3.557 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.033 -12.703 -4.839 1.00 0.00 H new ATOM 1077 N GLY A 74 -3.314 -13.505 -2.733 1.00 0.00 N ATOM 1078 CA GLY A 74 -4.585 -14.047 -3.180 1.00 0.00 C ATOM 1079 C GLY A 74 -5.672 -12.993 -3.248 1.00 0.00 C ATOM 1080 O GLY A 74 -5.467 -11.853 -2.832 1.00 0.00 O ATOM 0 H GLY A 74 -3.321 -13.119 -1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.458 -14.498 -4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.896 -14.842 -2.503 1.00 0.00 H new ATOM 1084 N GLN A 75 -6.831 -13.374 -3.776 1.00 0.00 N ATOM 1085 CA GLN A 75 -7.954 -12.452 -3.899 1.00 0.00 C ATOM 1086 C GLN A 75 -8.041 -11.535 -2.684 1.00 0.00 C ATOM 1087 O GLN A 75 -8.062 -10.312 -2.818 1.00 0.00 O ATOM 1088 CB GLN A 75 -9.263 -13.228 -4.062 1.00 0.00 C ATOM 1089 CG GLN A 75 -9.420 -13.875 -5.428 1.00 0.00 C ATOM 1090 CD GLN A 75 -9.517 -12.858 -6.548 1.00 0.00 C ATOM 1091 OE1 GLN A 75 -10.290 -11.903 -6.469 1.00 0.00 O ATOM 1092 NE2 GLN A 75 -8.732 -13.059 -7.599 1.00 0.00 N ATOM 0 H GLN A 75 -7.017 -14.314 -4.125 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.791 -11.837 -4.784 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.316 -14.001 -3.295 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.100 -12.552 -3.891 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.572 -14.534 -5.613 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.314 -14.498 -5.430 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -8.106 -13.864 -7.622 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -8.754 -12.408 -8.384 1.00 0.00 H new ATOM 1101 N ALA A 76 -8.092 -12.134 -1.498 1.00 0.00 N ATOM 1102 CA ALA A 76 -8.174 -11.370 -0.260 1.00 0.00 C ATOM 1103 C ALA A 76 -7.090 -10.300 -0.201 1.00 0.00 C ATOM 1104 O ALA A 76 -7.348 -9.165 0.199 1.00 0.00 O ATOM 1105 CB ALA A 76 -8.067 -12.299 0.941 1.00 0.00 C ATOM 0 H ALA A 76 -8.078 -13.146 -1.369 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.142 -10.870 -0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.130 -11.715 1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.882 -13.023 0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.113 -12.825 0.910 1.00 0.00 H new ATOM 1111 N GLU A 77 -5.878 -10.669 -0.601 1.00 0.00 N ATOM 1112 CA GLU A 77 -4.755 -9.739 -0.592 1.00 0.00 C ATOM 1113 C GLU A 77 -4.946 -8.645 -1.639 1.00 0.00 C ATOM 1114 O GLU A 77 -4.539 -7.501 -1.437 1.00 0.00 O ATOM 1115 CB GLU A 77 -3.444 -10.485 -0.852 1.00 0.00 C ATOM 1116 CG GLU A 77 -2.887 -11.183 0.377 1.00 0.00 C ATOM 1117 CD GLU A 77 -3.699 -12.400 0.775 1.00 0.00 C ATOM 1118 OE1 GLU A 77 -3.600 -13.432 0.079 1.00 0.00 O ATOM 1119 OE2 GLU A 77 -4.434 -12.320 1.782 1.00 0.00 O ATOM 0 H GLU A 77 -5.648 -11.605 -0.935 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.711 -9.273 0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.606 -11.224 -1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.702 -9.779 -1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.858 -11.485 0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.862 -10.480 1.209 1.00 0.00 H new ATOM 1126 N ALA A 78 -5.568 -9.006 -2.757 1.00 0.00 N ATOM 1127 CA ALA A 78 -5.814 -8.055 -3.834 1.00 0.00 C ATOM 1128 C ALA A 78 -6.667 -6.887 -3.351 1.00 0.00 C ATOM 1129 O ALA A 78 -7.788 -7.076 -2.881 1.00 0.00 O ATOM 1130 CB ALA A 78 -6.487 -8.752 -5.008 1.00 0.00 C ATOM 0 H ALA A 78 -5.910 -9.949 -2.940 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.853 -7.658 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.665 -8.031 -5.806 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.841 -9.549 -5.377 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.437 -9.176 -4.683 1.00 0.00 H new ATOM 1136 N GLY A 79 -6.127 -5.677 -3.470 1.00 0.00 N ATOM 1137 CA GLY A 79 -6.853 -4.496 -3.040 1.00 0.00 C ATOM 1138 C GLY A 79 -6.072 -3.218 -3.278 1.00 0.00 C ATOM 1139 O GLY A 79 -5.455 -3.048 -4.329 1.00 0.00 O ATOM 0 H GLY A 79 -5.201 -5.494 -3.856 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.803 -4.443 -3.573 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.087 -4.583 -1.979 1.00 0.00 H new ATOM 1143 N GLU A 80 -6.102 -2.318 -2.301 1.00 0.00 N ATOM 1144 CA GLU A 80 -5.394 -1.048 -2.412 1.00 0.00 C ATOM 1145 C GLU A 80 -4.519 -0.804 -1.186 1.00 0.00 C ATOM 1146 O GLU A 80 -5.017 -0.471 -0.110 1.00 0.00 O ATOM 1147 CB GLU A 80 -6.389 0.103 -2.579 1.00 0.00 C ATOM 1148 CG GLU A 80 -6.800 0.348 -4.021 1.00 0.00 C ATOM 1149 CD GLU A 80 -7.674 1.577 -4.178 1.00 0.00 C ATOM 1150 OE1 GLU A 80 -7.395 2.592 -3.506 1.00 0.00 O ATOM 1151 OE2 GLU A 80 -8.636 1.524 -4.972 1.00 0.00 O ATOM 0 H GLU A 80 -6.608 -2.444 -1.425 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.752 -1.095 -3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.280 -0.109 -1.987 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.948 1.015 -2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.907 0.461 -4.635 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.336 -0.524 -4.395 1.00 0.00 H new ATOM 1158 N TYR A 81 -3.213 -0.974 -1.356 1.00 0.00 N ATOM 1159 CA TYR A 81 -2.267 -0.776 -0.264 1.00 0.00 C ATOM 1160 C TYR A 81 -1.747 0.658 -0.247 1.00 0.00 C ATOM 1161 O TYR A 81 -1.240 1.159 -1.251 1.00 0.00 O ATOM 1162 CB TYR A 81 -1.098 -1.753 -0.390 1.00 0.00 C ATOM 1163 CG TYR A 81 -1.492 -3.199 -0.190 1.00 0.00 C ATOM 1164 CD1 TYR A 81 -2.357 -3.832 -1.074 1.00 0.00 C ATOM 1165 CD2 TYR A 81 -1.002 -3.931 0.884 1.00 0.00 C ATOM 1166 CE1 TYR A 81 -2.721 -5.153 -0.895 1.00 0.00 C ATOM 1167 CE2 TYR A 81 -1.359 -5.253 1.070 1.00 0.00 C ATOM 1168 CZ TYR A 81 -2.220 -5.859 0.179 1.00 0.00 C ATOM 1169 OH TYR A 81 -2.579 -7.174 0.362 1.00 0.00 O ATOM 0 H TYR A 81 -2.785 -1.249 -2.240 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.789 -0.965 0.674 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.647 -1.641 -1.376 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.334 -1.489 0.342 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.752 -3.282 -1.916 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.330 -3.459 1.586 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.394 -5.630 -1.592 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.966 -5.809 1.909 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.402 -7.361 -0.137 1.00 0.00 H new ATOM 1179 N SER A 82 -1.875 1.314 0.902 1.00 0.00 N ATOM 1180 CA SER A 82 -1.421 2.692 1.051 1.00 0.00 C ATOM 1181 C SER A 82 -0.295 2.785 2.076 1.00 0.00 C ATOM 1182 O SER A 82 -0.438 2.337 3.214 1.00 0.00 O ATOM 1183 CB SER A 82 -2.584 3.592 1.471 1.00 0.00 C ATOM 1184 OG SER A 82 -3.663 3.490 0.558 1.00 0.00 O ATOM 0 H SER A 82 -2.289 0.913 1.744 1.00 0.00 H new ATOM 0 HA SER A 82 -1.040 3.029 0.087 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.921 3.314 2.470 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.246 4.627 1.525 1.00 0.00 H new ATOM 0 HG SER A 82 -4.449 3.944 0.928 1.00 0.00 H new ATOM 1190 N CYS A 83 0.825 3.369 1.664 1.00 0.00 N ATOM 1191 CA CYS A 83 1.977 3.521 2.545 1.00 0.00 C ATOM 1192 C CYS A 83 1.987 4.901 3.194 1.00 0.00 C ATOM 1193 O CYS A 83 2.358 5.891 2.565 1.00 0.00 O ATOM 1194 CB CYS A 83 3.274 3.302 1.765 1.00 0.00 C ATOM 1195 SG CYS A 83 4.772 3.697 2.698 1.00 0.00 S ATOM 0 H CYS A 83 0.960 3.745 0.725 1.00 0.00 H new ATOM 0 HA CYS A 83 1.903 2.770 3.332 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.322 2.261 1.445 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.250 3.912 0.862 1.00 0.00 H new ATOM 0 HG CYS A 83 4.973 4.981 2.672 1.00 0.00 H new ATOM 1201 N GLU A 84 1.574 4.958 4.457 1.00 0.00 N ATOM 1202 CA GLU A 84 1.533 6.218 5.190 1.00 0.00 C ATOM 1203 C GLU A 84 2.818 6.426 5.987 1.00 0.00 C ATOM 1204 O GLU A 84 3.305 5.510 6.649 1.00 0.00 O ATOM 1205 CB GLU A 84 0.326 6.248 6.130 1.00 0.00 C ATOM 1206 CG GLU A 84 -0.205 7.646 6.395 1.00 0.00 C ATOM 1207 CD GLU A 84 -0.900 7.762 7.737 1.00 0.00 C ATOM 1208 OE1 GLU A 84 -1.609 6.809 8.124 1.00 0.00 O ATOM 1209 OE2 GLU A 84 -0.736 8.807 8.402 1.00 0.00 O ATOM 0 H GLU A 84 1.264 4.147 4.993 1.00 0.00 H new ATOM 0 HA GLU A 84 1.440 7.027 4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.472 5.641 5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.603 5.788 7.078 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.620 8.357 6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.902 7.922 5.604 1.00 0.00 H new ATOM 1216 N ALA A 85 3.361 7.636 5.917 1.00 0.00 N ATOM 1217 CA ALA A 85 4.588 7.966 6.632 1.00 0.00 C ATOM 1218 C ALA A 85 4.443 9.278 7.395 1.00 0.00 C ATOM 1219 O ALA A 85 5.370 9.719 8.073 1.00 0.00 O ATOM 1220 CB ALA A 85 5.759 8.043 5.663 1.00 0.00 C ATOM 0 H ALA A 85 2.971 8.405 5.372 1.00 0.00 H new ATOM 0 HA ALA A 85 4.781 7.175 7.356 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.669 8.290 6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.884 7.081 5.167 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.564 8.813 4.917 1.00 0.00 H new ATOM 1226 N GLY A 86 3.272 9.897 7.281 1.00 0.00 N ATOM 1227 CA GLY A 86 3.028 11.154 7.966 1.00 0.00 C ATOM 1228 C GLY A 86 2.253 12.138 7.112 1.00 0.00 C ATOM 1229 O GLY A 86 2.838 13.009 6.471 1.00 0.00 O ATOM 0 H GLY A 86 2.488 9.551 6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.475 10.962 8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.981 11.599 8.253 1.00 0.00 H new ATOM 1233 N GLY A 87 0.931 11.998 7.103 1.00 0.00 N ATOM 1234 CA GLY A 87 0.096 12.888 6.316 1.00 0.00 C ATOM 1235 C GLY A 87 0.048 12.495 4.853 1.00 0.00 C ATOM 1236 O GLY A 87 -0.998 12.594 4.212 1.00 0.00 O ATOM 0 H GLY A 87 0.423 11.285 7.626 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.915 12.887 6.723 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.473 13.907 6.403 1.00 0.00 H new ATOM 1240 N GLN A 88 1.183 12.050 4.323 1.00 0.00 N ATOM 1241 CA GLN A 88 1.265 11.644 2.926 1.00 0.00 C ATOM 1242 C GLN A 88 1.282 10.124 2.801 1.00 0.00 C ATOM 1243 O GLN A 88 1.688 9.421 3.726 1.00 0.00 O ATOM 1244 CB GLN A 88 2.516 12.235 2.273 1.00 0.00 C ATOM 1245 CG GLN A 88 2.352 13.685 1.847 1.00 0.00 C ATOM 1246 CD GLN A 88 3.487 14.166 0.964 1.00 0.00 C ATOM 1247 OE1 GLN A 88 3.988 13.424 0.118 1.00 0.00 O ATOM 1248 NE2 GLN A 88 3.900 15.413 1.156 1.00 0.00 N ATOM 0 H GLN A 88 2.058 11.962 4.840 1.00 0.00 H new ATOM 0 HA GLN A 88 0.382 12.023 2.412 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.349 12.162 2.972 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.778 11.636 1.401 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.408 13.798 1.313 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.294 14.316 2.734 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.457 15.993 1.868 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.661 15.791 0.591 1.00 0.00 H new ATOM 1257 N GLN A 89 0.840 9.625 1.651 1.00 0.00 N ATOM 1258 CA GLN A 89 0.804 8.188 1.407 1.00 0.00 C ATOM 1259 C GLN A 89 0.459 7.892 -0.049 1.00 0.00 C ATOM 1260 O GLN A 89 -0.423 8.526 -0.631 1.00 0.00 O ATOM 1261 CB GLN A 89 -0.215 7.517 2.331 1.00 0.00 C ATOM 1262 CG GLN A 89 -1.657 7.874 2.008 1.00 0.00 C ATOM 1263 CD GLN A 89 -2.287 6.917 1.015 1.00 0.00 C ATOM 1264 OE1 GLN A 89 -1.624 6.430 0.098 1.00 0.00 O ATOM 1265 NE2 GLN A 89 -3.573 6.642 1.192 1.00 0.00 N ATOM 0 H GLN A 89 0.502 10.194 0.875 1.00 0.00 H new ATOM 0 HA GLN A 89 1.795 7.785 1.617 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.094 6.436 2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.001 7.801 3.361 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.242 7.874 2.928 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.695 8.886 1.606 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.084 7.068 1.965 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.051 6.005 0.555 1.00 0.00 H new ATOM 1274 N LEU A 90 1.160 6.926 -0.633 1.00 0.00 N ATOM 1275 CA LEU A 90 0.928 6.545 -2.022 1.00 0.00 C ATOM 1276 C LEU A 90 -0.032 5.364 -2.111 1.00 0.00 C ATOM 1277 O LEU A 90 -0.343 4.727 -1.104 1.00 0.00 O ATOM 1278 CB LEU A 90 2.252 6.193 -2.703 1.00 0.00 C ATOM 1279 CG LEU A 90 3.406 7.170 -2.473 1.00 0.00 C ATOM 1280 CD1 LEU A 90 4.732 6.529 -2.853 1.00 0.00 C ATOM 1281 CD2 LEU A 90 3.185 8.451 -3.265 1.00 0.00 C ATOM 0 H LEU A 90 1.893 6.392 -0.166 1.00 0.00 H new ATOM 0 HA LEU A 90 0.477 7.395 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.563 5.207 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.076 6.116 -3.776 1.00 0.00 H new ATOM 0 HG LEU A 90 3.438 7.422 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.541 7.239 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.895 5.640 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.712 6.248 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.015 9.135 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.126 8.216 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.255 8.920 -2.945 1.00 0.00 H new ATOM 1293 N SER A 91 -0.497 5.075 -3.322 1.00 0.00 N ATOM 1294 CA SER A 91 -1.424 3.971 -3.542 1.00 0.00 C ATOM 1295 C SER A 91 -0.776 2.877 -4.385 1.00 0.00 C ATOM 1296 O SER A 91 -0.105 3.159 -5.379 1.00 0.00 O ATOM 1297 CB SER A 91 -2.696 4.473 -4.228 1.00 0.00 C ATOM 1298 OG SER A 91 -2.960 5.823 -3.887 1.00 0.00 O ATOM 0 H SER A 91 -0.247 5.590 -4.166 1.00 0.00 H new ATOM 0 HA SER A 91 -1.686 3.551 -2.571 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.590 4.382 -5.309 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.541 3.849 -3.936 1.00 0.00 H new ATOM 0 HG SER A 91 -3.777 6.121 -4.339 1.00 0.00 H new ATOM 1304 N PHE A 92 -0.981 1.628 -3.982 1.00 0.00 N ATOM 1305 CA PHE A 92 -0.416 0.491 -4.699 1.00 0.00 C ATOM 1306 C PHE A 92 -1.465 -0.597 -4.906 1.00 0.00 C ATOM 1307 O PHE A 92 -1.599 -1.509 -4.089 1.00 0.00 O ATOM 1308 CB PHE A 92 0.781 -0.078 -3.934 1.00 0.00 C ATOM 1309 CG PHE A 92 2.007 0.786 -4.011 1.00 0.00 C ATOM 1310 CD1 PHE A 92 2.886 0.672 -5.076 1.00 0.00 C ATOM 1311 CD2 PHE A 92 2.281 1.712 -3.017 1.00 0.00 C ATOM 1312 CE1 PHE A 92 4.015 1.466 -5.150 1.00 0.00 C ATOM 1313 CE2 PHE A 92 3.409 2.509 -3.086 1.00 0.00 C ATOM 1314 CZ PHE A 92 4.277 2.385 -4.153 1.00 0.00 C ATOM 0 H PHE A 92 -1.534 1.377 -3.163 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.082 0.840 -5.676 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.504 -0.210 -2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.017 -1.066 -4.328 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.687 -0.046 -5.858 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.606 1.812 -2.180 1.00 0.00 H new ATOM 0 HE1 PHE A 92 4.691 1.368 -5.986 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.611 3.228 -2.306 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.159 3.006 -4.208 1.00 0.00 H new ATOM 1324 N ARG A 93 -2.207 -0.494 -6.004 1.00 0.00 N ATOM 1325 CA ARG A 93 -3.246 -1.468 -6.318 1.00 0.00 C ATOM 1326 C ARG A 93 -2.639 -2.839 -6.598 1.00 0.00 C ATOM 1327 O ARG A 93 -1.900 -3.017 -7.567 1.00 0.00 O ATOM 1328 CB ARG A 93 -4.062 -1.003 -7.526 1.00 0.00 C ATOM 1329 CG ARG A 93 -5.122 -2.000 -7.964 1.00 0.00 C ATOM 1330 CD ARG A 93 -6.369 -1.903 -7.100 1.00 0.00 C ATOM 1331 NE ARG A 93 -7.213 -0.773 -7.480 1.00 0.00 N ATOM 1332 CZ ARG A 93 -7.958 -0.750 -8.579 1.00 0.00 C ATOM 1333 NH1 ARG A 93 -7.966 -1.789 -9.402 1.00 0.00 N ATOM 1334 NH2 ARG A 93 -8.699 0.316 -8.857 1.00 0.00 N ATOM 0 H ARG A 93 -2.108 0.254 -6.691 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.905 -1.551 -5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.544 -0.055 -7.286 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.386 -0.814 -8.360 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.385 -1.819 -9.006 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.717 -3.011 -7.909 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.941 -2.827 -7.184 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.078 -1.803 -6.054 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.231 0.043 -6.868 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.399 -2.610 -9.192 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.540 -1.767 -10.245 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.696 1.118 -8.226 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.271 0.333 -9.701 1.00 0.00 H new ATOM 1348 N LEU A 94 -2.955 -3.806 -5.743 1.00 0.00 N ATOM 1349 CA LEU A 94 -2.441 -5.162 -5.898 1.00 0.00 C ATOM 1350 C LEU A 94 -3.494 -6.077 -6.515 1.00 0.00 C ATOM 1351 O LEU A 94 -4.536 -6.333 -5.912 1.00 0.00 O ATOM 1352 CB LEU A 94 -1.996 -5.718 -4.544 1.00 0.00 C ATOM 1353 CG LEU A 94 -1.629 -7.202 -4.515 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -0.488 -7.488 -5.480 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -1.256 -7.632 -3.103 1.00 0.00 C ATOM 0 H LEU A 94 -3.565 -3.676 -4.936 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.582 -5.124 -6.568 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.134 -5.144 -4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.796 -5.548 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.499 -7.778 -4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.240 -8.549 -5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.791 -7.218 -6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.386 -6.902 -5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.998 -8.691 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.401 -7.050 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.102 -7.464 -2.436 1.00 0.00 H new ATOM 1367 N GLN A 95 -3.213 -6.568 -7.717 1.00 0.00 N ATOM 1368 CA GLN A 95 -4.136 -7.456 -8.414 1.00 0.00 C ATOM 1369 C GLN A 95 -3.638 -8.897 -8.377 1.00 0.00 C ATOM 1370 O GLN A 95 -2.433 -9.149 -8.398 1.00 0.00 O ATOM 1371 CB GLN A 95 -4.315 -7.003 -9.865 1.00 0.00 C ATOM 1372 CG GLN A 95 -5.110 -5.715 -10.006 1.00 0.00 C ATOM 1373 CD GLN A 95 -4.820 -4.991 -11.306 1.00 0.00 C ATOM 1374 OE1 GLN A 95 -4.815 -5.595 -12.379 1.00 0.00 O ATOM 1375 NE2 GLN A 95 -4.578 -3.688 -11.217 1.00 0.00 N ATOM 0 H GLN A 95 -2.354 -6.366 -8.229 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.099 -7.410 -7.905 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.333 -6.866 -10.318 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.816 -7.793 -10.424 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.175 -5.941 -9.950 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.880 -5.057 -9.168 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.592 -3.228 -10.307 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -4.378 -3.148 -12.059 1.00 0.00 H new ATOM 1384 N VAL A 96 -4.574 -9.840 -8.321 1.00 0.00 N ATOM 1385 CA VAL A 96 -4.230 -11.256 -8.281 1.00 0.00 C ATOM 1386 C VAL A 96 -4.914 -12.019 -9.410 1.00 0.00 C ATOM 1387 O VAL A 96 -6.118 -11.882 -9.626 1.00 0.00 O ATOM 1388 CB VAL A 96 -4.624 -11.891 -6.935 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -4.331 -13.384 -6.942 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -3.898 -11.203 -5.789 1.00 0.00 C ATOM 0 H VAL A 96 -5.576 -9.648 -8.302 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.149 -11.323 -8.403 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.696 -11.756 -6.790 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.616 -13.815 -5.982 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.901 -13.863 -7.739 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.266 -13.545 -7.110 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.188 -11.664 -4.845 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.822 -11.305 -5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.163 -10.146 -5.773 1.00 0.00 H new ATOM 1400 N ALA A 97 -4.137 -12.824 -10.128 1.00 0.00 N ATOM 1401 CA ALA A 97 -4.668 -13.612 -11.234 1.00 0.00 C ATOM 1402 C ALA A 97 -4.949 -15.047 -10.801 1.00 0.00 C ATOM 1403 O ALA A 97 -4.035 -15.784 -10.434 1.00 0.00 O ATOM 1404 CB ALA A 97 -3.701 -13.592 -12.408 1.00 0.00 C ATOM 0 H ALA A 97 -3.138 -12.948 -9.964 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.611 -13.164 -11.547 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -4.110 -14.184 -13.227 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.555 -12.565 -12.741 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.744 -14.013 -12.099 1.00 0.00 H new ATOM 1410 N GLY A 98 -6.220 -15.436 -10.845 1.00 0.00 N ATOM 1411 CA GLY A 98 -6.597 -16.781 -10.454 1.00 0.00 C ATOM 1412 C GLY A 98 -6.814 -16.911 -8.959 1.00 0.00 C ATOM 1413 O GLY A 98 -6.674 -15.937 -8.219 1.00 0.00 O ATOM 0 H GLY A 98 -6.994 -14.844 -11.144 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.510 -17.065 -10.977 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.820 -17.478 -10.767 1.00 0.00 H new ATOM 1417 N GLN A 99 -7.158 -18.115 -8.515 1.00 0.00 N ATOM 1418 CA GLN A 99 -7.397 -18.367 -7.099 1.00 0.00 C ATOM 1419 C GLN A 99 -6.258 -19.180 -6.491 1.00 0.00 C ATOM 1420 O GLN A 99 -5.693 -20.059 -7.142 1.00 0.00 O ATOM 1421 CB GLN A 99 -8.724 -19.104 -6.907 1.00 0.00 C ATOM 1422 CG GLN A 99 -8.931 -19.624 -5.494 1.00 0.00 C ATOM 1423 CD GLN A 99 -9.487 -18.569 -4.559 1.00 0.00 C ATOM 1424 OE1 GLN A 99 -10.610 -18.094 -4.736 1.00 0.00 O ATOM 1425 NE2 GLN A 99 -8.703 -18.195 -3.554 1.00 0.00 N ATOM 0 H GLN A 99 -7.277 -18.931 -9.115 1.00 0.00 H new ATOM 0 HA GLN A 99 -7.446 -17.405 -6.588 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.544 -18.432 -7.162 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.770 -19.941 -7.604 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -9.611 -20.475 -5.520 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -7.981 -19.987 -5.102 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -7.780 -18.614 -3.444 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -9.024 -17.489 -2.892 1.00 0.00 H new ATOM 1434 N CYS A 100 -5.926 -18.879 -5.240 1.00 0.00 N ATOM 1435 CA CYS A 100 -4.853 -19.581 -4.544 1.00 0.00 C ATOM 1436 C CYS A 100 -5.040 -21.092 -4.642 1.00 0.00 C ATOM 1437 O CYS A 100 -6.070 -21.572 -5.114 1.00 0.00 O ATOM 1438 CB CYS A 100 -4.805 -19.155 -3.077 1.00 0.00 C ATOM 1439 SG CYS A 100 -4.182 -17.478 -2.815 1.00 0.00 S ATOM 0 H CYS A 100 -6.384 -18.154 -4.687 1.00 0.00 H new ATOM 0 HA CYS A 100 -3.909 -19.318 -5.022 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -5.808 -19.229 -2.656 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -4.176 -19.855 -2.527 1.00 0.00 H new ATOM 0 HG CYS A 100 -4.181 -17.209 -1.543 1.00 0.00 H new ATOM 1445 N PHE A 101 -4.035 -21.837 -4.193 1.00 0.00 N ATOM 1446 CA PHE A 101 -4.086 -23.294 -4.232 1.00 0.00 C ATOM 1447 C PHE A 101 -5.393 -23.808 -3.636 1.00 0.00 C ATOM 1448 O PHE A 101 -6.114 -23.071 -2.963 1.00 0.00 O ATOM 1449 CB PHE A 101 -2.898 -23.887 -3.472 1.00 0.00 C ATOM 1450 CG PHE A 101 -1.565 -23.458 -4.015 1.00 0.00 C ATOM 1451 CD1 PHE A 101 -0.992 -22.262 -3.615 1.00 0.00 C ATOM 1452 CD2 PHE A 101 -0.885 -24.252 -4.925 1.00 0.00 C ATOM 1453 CE1 PHE A 101 0.235 -21.864 -4.113 1.00 0.00 C ATOM 1454 CE2 PHE A 101 0.342 -23.860 -5.425 1.00 0.00 C ATOM 1455 CZ PHE A 101 0.902 -22.664 -5.020 1.00 0.00 C ATOM 0 H PHE A 101 -3.175 -21.456 -3.798 1.00 0.00 H new ATOM 0 HA PHE A 101 -4.034 -23.607 -5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.965 -23.596 -2.424 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.962 -24.975 -3.505 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.510 -21.633 -2.906 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -1.319 -25.187 -5.247 1.00 0.00 H new ATOM 0 HE1 PHE A 101 0.671 -20.929 -3.793 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.863 -24.488 -6.132 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.860 -22.355 -5.412 1.00 0.00 H new ATOM 1465 N GLY A 102 -5.693 -25.078 -3.888 1.00 0.00 N ATOM 1466 CA GLY A 102 -6.913 -25.670 -3.371 1.00 0.00 C ATOM 1467 C GLY A 102 -6.760 -27.148 -3.074 1.00 0.00 C ATOM 1468 O GLY A 102 -5.713 -27.737 -3.344 1.00 0.00 O ATOM 0 H GLY A 102 -5.113 -25.708 -4.441 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.209 -25.148 -2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.716 -25.529 -4.094 1.00 0.00 H new TER 1472 GLY A 102