USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 761 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= -0.0813 X(o=-0.081,f=-0.58) USER MOD Single : A 6 GLN : amide:sc= -0.0829 X(o=-0.083,f=-0.0062) USER MOD Single : A 7 GLN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 160:sc= -0.874 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -128:sc= -0.0603 (180deg=-0.622) USER MOD Single : A 22 LYS NZ :NH3+ 159:sc= -0.0265 (180deg=-0.313) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= 0.994 K(o=0.99,f=-0.49) USER MOD Single : A 28 ASN : amide:sc= -0.149 K(o=-0.15,f=-0.96) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.1 K(o=-1.1,f=-3.2!) USER MOD Single : A 48 TYR OH : rot -155:sc= 0.53 USER MOD Single : A 50 MET CE :methyl 177:sc= -5.24! (180deg=-5.49!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0348 USER MOD Single : A 61 HIS : no HD1:sc= -0.263 K(o=-0.26,f=-1) USER MOD Single : A 65 TYR OH : rot 2:sc= -6.11! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 13:sc= -1.88 USER MOD Single : A 77 MET CE :methyl 180:sc= -3.71! (180deg=-3.71!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.76 K(o=-1.8,f=-5.9!) USER MOD Single : A 87 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.770 7.472 13.065 1.00 0.00 N ATOM 2 CA MET A 1 -22.006 7.411 14.497 1.00 0.00 C ATOM 3 C MET A 1 -20.687 7.365 15.270 1.00 0.00 C ATOM 4 O MET A 1 -20.305 6.318 15.792 1.00 0.00 O ATOM 5 CB MET A 1 -22.834 6.166 14.825 1.00 0.00 C ATOM 6 CG MET A 1 -24.293 6.534 15.101 1.00 0.00 C ATOM 7 SD MET A 1 -25.294 5.058 15.164 1.00 0.00 S ATOM 8 CE MET A 1 -26.523 5.567 16.354 1.00 0.00 C ATOM 0 H1 MET A 1 -22.681 7.502 12.564 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.222 8.327 12.840 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.238 6.631 12.765 1.00 0.00 H new ATOM 0 HA MET A 1 -22.548 8.309 14.795 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.784 5.462 13.994 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.412 5.663 15.695 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.368 7.075 16.045 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.662 7.201 14.322 1.00 0.00 H new ATOM 0 HE1 MET A 1 -27.234 4.756 16.512 1.00 0.00 H new ATOM 0 HE2 MET A 1 -26.036 5.812 17.298 1.00 0.00 H new ATOM 0 HE3 MET A 1 -27.051 6.444 15.979 1.00 0.00 H new ATOM 18 N GLN A 2 -20.026 8.512 15.318 1.00 0.00 N ATOM 19 CA GLN A 2 -18.756 8.616 16.018 1.00 0.00 C ATOM 20 C GLN A 2 -17.775 7.564 15.496 1.00 0.00 C ATOM 21 O GLN A 2 -17.575 6.528 16.129 1.00 0.00 O ATOM 22 CB GLN A 2 -18.951 8.481 17.529 1.00 0.00 C ATOM 23 CG GLN A 2 -18.326 9.665 18.270 1.00 0.00 C ATOM 24 CD GLN A 2 -19.258 10.178 19.370 1.00 0.00 C ATOM 25 OE1 GLN A 2 -20.285 10.785 19.116 1.00 0.00 O ATOM 26 NE2 GLN A 2 -18.843 9.900 20.603 1.00 0.00 N ATOM 0 H GLN A 2 -20.346 9.378 14.884 1.00 0.00 H new ATOM 0 HA GLN A 2 -18.337 9.603 15.825 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -20.015 8.424 17.758 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -18.500 7.551 17.876 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -17.374 9.364 18.707 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -18.113 10.468 17.565 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -17.973 9.388 20.745 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -19.395 10.199 21.407 1.00 0.00 H new ATOM 35 N GLU A 3 -17.189 7.866 14.347 1.00 0.00 N ATOM 36 CA GLU A 3 -16.233 6.960 13.733 1.00 0.00 C ATOM 37 C GLU A 3 -15.098 7.750 13.078 1.00 0.00 C ATOM 38 O GLU A 3 -15.270 8.917 12.729 1.00 0.00 O ATOM 39 CB GLU A 3 -16.920 6.044 12.719 1.00 0.00 C ATOM 40 CG GLU A 3 -16.954 4.599 13.221 1.00 0.00 C ATOM 41 CD GLU A 3 -17.591 3.673 12.183 1.00 0.00 C ATOM 42 OE1 GLU A 3 -18.789 3.884 11.892 1.00 0.00 O ATOM 43 OE2 GLU A 3 -16.866 2.775 11.703 1.00 0.00 O ATOM 0 H GLU A 3 -17.358 8.726 13.825 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.807 6.329 14.513 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -17.936 6.394 12.538 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.392 6.090 11.766 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.941 4.263 13.441 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -17.516 4.547 14.153 1.00 0.00 H new ATOM 50 N GLN A 4 -13.963 7.082 12.931 1.00 0.00 N ATOM 51 CA GLN A 4 -12.800 7.707 12.324 1.00 0.00 C ATOM 52 C GLN A 4 -12.681 7.293 10.856 1.00 0.00 C ATOM 53 O GLN A 4 -12.663 6.104 10.542 1.00 0.00 O ATOM 54 CB GLN A 4 -11.526 7.360 13.096 1.00 0.00 C ATOM 55 CG GLN A 4 -10.803 8.627 13.558 1.00 0.00 C ATOM 56 CD GLN A 4 -9.629 8.956 12.634 1.00 0.00 C ATOM 57 OE1 GLN A 4 -8.853 8.099 12.244 1.00 0.00 O ATOM 58 NE2 GLN A 4 -9.542 10.243 12.308 1.00 0.00 N ATOM 0 H GLN A 4 -13.824 6.114 13.222 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.929 8.789 12.367 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.776 6.744 13.960 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.863 6.769 12.464 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.502 9.463 13.575 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.441 8.492 14.577 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.225 10.908 12.670 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.792 10.565 11.696 1.00 0.00 H new ATOM 67 N ALA A 5 -12.604 8.297 9.995 1.00 0.00 N ATOM 68 CA ALA A 5 -12.487 8.053 8.568 1.00 0.00 C ATOM 69 C ALA A 5 -11.295 7.129 8.309 1.00 0.00 C ATOM 70 O ALA A 5 -10.161 7.462 8.648 1.00 0.00 O ATOM 71 CB ALA A 5 -12.361 9.387 7.830 1.00 0.00 C ATOM 0 H ALA A 5 -12.620 9.282 10.259 1.00 0.00 H new ATOM 0 HA ALA A 5 -13.379 7.554 8.190 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -12.273 9.204 6.759 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -13.245 9.994 8.023 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -11.475 9.915 8.182 1.00 0.00 H new ATOM 77 N GLN A 6 -11.593 5.985 7.710 1.00 0.00 N ATOM 78 CA GLN A 6 -10.561 5.010 7.402 1.00 0.00 C ATOM 79 C GLN A 6 -10.572 4.679 5.908 1.00 0.00 C ATOM 80 O GLN A 6 -10.375 3.528 5.522 1.00 0.00 O ATOM 81 CB GLN A 6 -10.731 3.745 8.245 1.00 0.00 C ATOM 82 CG GLN A 6 -9.431 3.389 8.969 1.00 0.00 C ATOM 83 CD GLN A 6 -9.618 3.440 10.487 1.00 0.00 C ATOM 84 OE1 GLN A 6 -8.926 4.147 11.200 1.00 0.00 O ATOM 85 NE2 GLN A 6 -10.589 2.652 10.939 1.00 0.00 N ATOM 0 H GLN A 6 -12.535 5.712 7.430 1.00 0.00 H new ATOM 0 HA GLN A 6 -9.593 5.445 7.651 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.528 3.894 8.974 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.034 2.916 7.606 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.106 2.392 8.672 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.644 4.082 8.672 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.131 2.085 10.287 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.792 2.614 11.938 1.00 0.00 H new ATOM 94 N GLN A 7 -10.805 5.709 5.108 1.00 0.00 N ATOM 95 CA GLN A 7 -10.845 5.542 3.665 1.00 0.00 C ATOM 96 C GLN A 7 -9.842 6.483 2.994 1.00 0.00 C ATOM 97 O GLN A 7 -10.119 7.669 2.820 1.00 0.00 O ATOM 98 CB GLN A 7 -12.258 5.771 3.125 1.00 0.00 C ATOM 99 CG GLN A 7 -12.743 7.187 3.442 1.00 0.00 C ATOM 100 CD GLN A 7 -14.270 7.266 3.401 1.00 0.00 C ATOM 101 OE1 GLN A 7 -14.863 7.869 2.521 1.00 0.00 O ATOM 102 NE2 GLN A 7 -14.872 6.625 4.398 1.00 0.00 N ATOM 0 H GLN A 7 -10.968 6.662 5.432 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.564 4.515 3.430 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -12.269 5.612 2.047 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.941 5.042 3.562 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.386 7.485 4.428 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.320 7.889 2.724 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -14.316 6.140 5.102 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.890 6.618 4.459 1.00 0.00 H new ATOM 111 N PHE A 8 -8.698 5.919 2.635 1.00 0.00 N ATOM 112 CA PHE A 8 -7.653 6.692 1.987 1.00 0.00 C ATOM 113 C PHE A 8 -7.853 6.722 0.470 1.00 0.00 C ATOM 114 O PHE A 8 -7.943 5.674 -0.168 1.00 0.00 O ATOM 115 CB PHE A 8 -6.325 6.001 2.301 1.00 0.00 C ATOM 116 CG PHE A 8 -5.093 6.867 2.029 1.00 0.00 C ATOM 117 CD1 PHE A 8 -4.660 7.051 0.752 1.00 0.00 C ATOM 118 CD2 PHE A 8 -4.431 7.452 3.062 1.00 0.00 C ATOM 119 CE1 PHE A 8 -3.517 7.854 0.500 1.00 0.00 C ATOM 120 CE2 PHE A 8 -3.288 8.256 2.810 1.00 0.00 C ATOM 121 CZ PHE A 8 -2.855 8.440 1.533 1.00 0.00 C ATOM 0 H PHE A 8 -8.472 4.935 2.781 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.672 7.720 2.349 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.322 5.702 3.349 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.253 5.089 1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -5.186 6.586 -0.069 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.775 7.305 4.075 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.173 8.000 -0.513 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.763 8.721 3.631 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.986 9.051 1.340 1.00 0.00 H new ATOM 131 N ILE A 9 -7.918 7.933 -0.062 1.00 0.00 N ATOM 132 CA ILE A 9 -8.106 8.113 -1.492 1.00 0.00 C ATOM 133 C ILE A 9 -6.748 8.038 -2.194 1.00 0.00 C ATOM 134 O ILE A 9 -5.922 8.938 -2.052 1.00 0.00 O ATOM 135 CB ILE A 9 -8.873 9.406 -1.773 1.00 0.00 C ATOM 136 CG1 ILE A 9 -10.238 9.396 -1.082 1.00 0.00 C ATOM 137 CG2 ILE A 9 -8.995 9.656 -3.278 1.00 0.00 C ATOM 138 CD1 ILE A 9 -11.095 8.230 -1.578 1.00 0.00 C ATOM 0 H ILE A 9 -7.844 8.800 0.471 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.721 7.310 -1.899 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.306 10.237 -1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.103 9.319 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.753 10.337 -1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.545 10.582 -3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.000 9.738 -3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.528 8.826 -3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.060 8.246 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.248 8.323 -2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.588 7.289 -1.364 1.00 0.00 H new ATOM 150 N PHE A 10 -6.560 6.956 -2.936 1.00 0.00 N ATOM 151 CA PHE A 10 -5.317 6.752 -3.660 1.00 0.00 C ATOM 152 C PHE A 10 -5.505 5.751 -4.801 1.00 0.00 C ATOM 153 O PHE A 10 -6.326 4.840 -4.703 1.00 0.00 O ATOM 154 CB PHE A 10 -4.306 6.186 -2.662 1.00 0.00 C ATOM 155 CG PHE A 10 -2.961 5.807 -3.285 1.00 0.00 C ATOM 156 CD1 PHE A 10 -2.374 6.635 -4.191 1.00 0.00 C ATOM 157 CD2 PHE A 10 -2.352 4.643 -2.934 1.00 0.00 C ATOM 158 CE1 PHE A 10 -1.126 6.284 -4.770 1.00 0.00 C ATOM 159 CE2 PHE A 10 -1.104 4.291 -3.513 1.00 0.00 C ATOM 160 CZ PHE A 10 -0.517 5.119 -4.419 1.00 0.00 C ATOM 0 H PHE A 10 -7.248 6.212 -3.051 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.979 7.694 -4.091 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.136 6.922 -1.876 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.735 5.304 -2.186 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.857 7.560 -4.470 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.818 3.986 -2.214 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.660 6.942 -5.489 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.621 3.366 -3.234 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.432 4.852 -4.859 1.00 0.00 H new ATOM 170 N LYS A 11 -4.732 5.954 -5.857 1.00 0.00 N ATOM 171 CA LYS A 11 -4.803 5.080 -7.016 1.00 0.00 C ATOM 172 C LYS A 11 -3.389 4.655 -7.417 1.00 0.00 C ATOM 173 O LYS A 11 -2.615 5.465 -7.925 1.00 0.00 O ATOM 174 CB LYS A 11 -5.587 5.751 -8.146 1.00 0.00 C ATOM 175 CG LYS A 11 -6.933 6.278 -7.642 1.00 0.00 C ATOM 176 CD LYS A 11 -8.007 5.190 -7.710 1.00 0.00 C ATOM 177 CE LYS A 11 -8.657 4.976 -6.342 1.00 0.00 C ATOM 178 NZ LYS A 11 -10.121 4.810 -6.484 1.00 0.00 N ATOM 0 H LYS A 11 -4.053 6.711 -5.935 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.353 4.171 -6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.003 6.573 -8.561 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.751 5.037 -8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.829 6.628 -6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.240 7.135 -8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.768 5.470 -8.438 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.563 4.257 -8.056 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.230 4.095 -5.864 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.443 5.826 -5.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.547 4.666 -5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.526 5.662 -6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.320 3.985 -7.085 1.00 0.00 H new ATOM 192 N VAL A 12 -3.095 3.387 -7.173 1.00 0.00 N ATOM 193 CA VAL A 12 -1.788 2.845 -7.502 1.00 0.00 C ATOM 194 C VAL A 12 -1.937 1.805 -8.615 1.00 0.00 C ATOM 195 O VAL A 12 -2.953 1.116 -8.693 1.00 0.00 O ATOM 196 CB VAL A 12 -1.122 2.284 -6.244 1.00 0.00 C ATOM 197 CG1 VAL A 12 -1.616 0.866 -5.949 1.00 0.00 C ATOM 198 CG2 VAL A 12 0.402 2.319 -6.369 1.00 0.00 C ATOM 0 H VAL A 12 -3.740 2.719 -6.751 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.132 3.631 -7.877 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.404 2.919 -5.404 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.127 0.490 -5.050 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.695 0.881 -5.796 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.378 0.215 -6.790 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.851 1.915 -5.462 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.711 1.719 -7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.732 3.348 -6.510 1.00 0.00 H new ATOM 208 N THR A 13 -0.909 1.723 -9.447 1.00 0.00 N ATOM 209 CA THR A 13 -0.913 0.779 -10.551 1.00 0.00 C ATOM 210 C THR A 13 -0.947 -0.657 -10.024 1.00 0.00 C ATOM 211 O THR A 13 -0.335 -0.962 -9.001 1.00 0.00 O ATOM 212 CB THR A 13 0.303 1.075 -11.430 1.00 0.00 C ATOM 213 OG1 THR A 13 1.370 1.243 -10.502 1.00 0.00 O ATOM 214 CG2 THR A 13 0.202 2.431 -12.132 1.00 0.00 C ATOM 0 H THR A 13 -0.067 2.295 -9.378 1.00 0.00 H new ATOM 0 HA THR A 13 -1.809 0.889 -11.163 1.00 0.00 H new ATOM 0 HB THR A 13 0.412 0.288 -12.176 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.226 1.118 -10.962 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.090 2.592 -12.743 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.683 2.447 -12.768 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.127 3.222 -11.386 1.00 0.00 H new ATOM 222 N ASP A 14 -1.669 -1.502 -10.747 1.00 0.00 N ATOM 223 CA ASP A 14 -1.791 -2.898 -10.365 1.00 0.00 C ATOM 224 C ASP A 14 -0.398 -3.473 -10.097 1.00 0.00 C ATOM 225 O ASP A 14 -0.251 -4.416 -9.321 1.00 0.00 O ATOM 226 CB ASP A 14 -2.434 -3.721 -11.483 1.00 0.00 C ATOM 227 CG ASP A 14 -3.901 -4.087 -11.254 1.00 0.00 C ATOM 228 OD1 ASP A 14 -4.550 -3.366 -10.466 1.00 0.00 O ATOM 229 OD2 ASP A 14 -4.342 -5.080 -11.873 1.00 0.00 O ATOM 0 H ASP A 14 -2.175 -1.246 -11.595 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.416 -2.950 -9.473 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.356 -3.163 -12.416 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.862 -4.640 -11.613 1.00 0.00 H new ATOM 234 N LYS A 15 0.588 -2.879 -10.753 1.00 0.00 N ATOM 235 CA LYS A 15 1.964 -3.320 -10.595 1.00 0.00 C ATOM 236 C LYS A 15 2.415 -3.063 -9.156 1.00 0.00 C ATOM 237 O LYS A 15 3.125 -3.879 -8.569 1.00 0.00 O ATOM 238 CB LYS A 15 2.861 -2.665 -11.647 1.00 0.00 C ATOM 239 CG LYS A 15 3.956 -3.627 -12.110 1.00 0.00 C ATOM 240 CD LYS A 15 5.150 -2.862 -12.686 1.00 0.00 C ATOM 241 CE LYS A 15 5.852 -3.680 -13.772 1.00 0.00 C ATOM 242 NZ LYS A 15 5.336 -3.316 -15.110 1.00 0.00 N ATOM 0 H LYS A 15 0.462 -2.096 -11.395 1.00 0.00 H new ATOM 0 HA LYS A 15 2.042 -4.393 -10.767 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.259 -2.355 -12.501 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.314 -1.764 -11.233 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.283 -4.242 -11.272 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.555 -4.304 -12.864 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.812 -1.913 -13.102 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.855 -2.628 -11.889 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.927 -3.504 -13.730 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.696 -4.744 -13.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.823 -3.880 -15.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.314 -3.506 -15.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.507 -2.305 -15.285 1.00 0.00 H new ATOM 256 N ALA A 16 1.984 -1.927 -8.628 1.00 0.00 N ATOM 257 CA ALA A 16 2.335 -1.552 -7.269 1.00 0.00 C ATOM 258 C ALA A 16 1.653 -2.508 -6.289 1.00 0.00 C ATOM 259 O ALA A 16 2.301 -3.061 -5.401 1.00 0.00 O ATOM 260 CB ALA A 16 1.948 -0.092 -7.025 1.00 0.00 C ATOM 0 H ALA A 16 1.394 -1.254 -9.117 1.00 0.00 H new ATOM 0 HA ALA A 16 3.411 -1.633 -7.114 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.212 0.189 -6.005 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.482 0.548 -7.727 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.874 0.029 -7.168 1.00 0.00 H new ATOM 266 N VAL A 17 0.353 -2.675 -6.483 1.00 0.00 N ATOM 267 CA VAL A 17 -0.425 -3.554 -5.627 1.00 0.00 C ATOM 268 C VAL A 17 0.058 -4.995 -5.810 1.00 0.00 C ATOM 269 O VAL A 17 0.407 -5.665 -4.839 1.00 0.00 O ATOM 270 CB VAL A 17 -1.917 -3.382 -5.917 1.00 0.00 C ATOM 271 CG1 VAL A 17 -2.620 -4.739 -5.996 1.00 0.00 C ATOM 272 CG2 VAL A 17 -2.579 -2.482 -4.872 1.00 0.00 C ATOM 0 H VAL A 17 -0.181 -2.216 -7.221 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.280 -3.293 -4.579 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.015 -2.896 -6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.680 -4.588 -6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.175 -5.333 -6.794 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.507 -5.263 -5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.639 -2.376 -5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.465 -2.927 -3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.106 -1.500 -4.885 1.00 0.00 H new ATOM 282 N GLU A 18 0.062 -5.428 -7.062 1.00 0.00 N ATOM 283 CA GLU A 18 0.496 -6.777 -7.385 1.00 0.00 C ATOM 284 C GLU A 18 1.873 -7.052 -6.776 1.00 0.00 C ATOM 285 O GLU A 18 2.183 -8.188 -6.423 1.00 0.00 O ATOM 286 CB GLU A 18 0.512 -7.000 -8.899 1.00 0.00 C ATOM 287 CG GLU A 18 0.811 -8.462 -9.234 1.00 0.00 C ATOM 288 CD GLU A 18 2.298 -8.664 -9.534 1.00 0.00 C ATOM 289 OE1 GLU A 18 2.919 -7.688 -10.005 1.00 0.00 O ATOM 290 OE2 GLU A 18 2.779 -9.790 -9.284 1.00 0.00 O ATOM 0 H GLU A 18 -0.228 -4.869 -7.865 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.217 -7.480 -6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.451 -6.716 -9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.264 -6.357 -9.357 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.515 -9.098 -8.399 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.218 -8.770 -10.095 1.00 0.00 H new ATOM 297 N GLU A 19 2.661 -5.992 -6.672 1.00 0.00 N ATOM 298 CA GLU A 19 3.996 -6.105 -6.111 1.00 0.00 C ATOM 299 C GLU A 19 3.920 -6.462 -4.626 1.00 0.00 C ATOM 300 O GLU A 19 4.780 -7.176 -4.110 1.00 0.00 O ATOM 301 CB GLU A 19 4.791 -4.815 -6.324 1.00 0.00 C ATOM 302 CG GLU A 19 6.083 -4.825 -5.505 1.00 0.00 C ATOM 303 CD GLU A 19 7.021 -5.939 -5.975 1.00 0.00 C ATOM 304 OE1 GLU A 19 6.641 -6.630 -6.945 1.00 0.00 O ATOM 305 OE2 GLU A 19 8.097 -6.075 -5.353 1.00 0.00 O ATOM 0 H GLU A 19 2.400 -5.051 -6.967 1.00 0.00 H new ATOM 0 HA GLU A 19 4.520 -6.907 -6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.028 -4.700 -7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.182 -3.957 -6.039 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.583 -3.861 -5.596 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.848 -4.964 -4.450 1.00 0.00 H new ATOM 312 N ILE A 20 2.883 -5.951 -3.979 1.00 0.00 N ATOM 313 CA ILE A 20 2.684 -6.208 -2.563 1.00 0.00 C ATOM 314 C ILE A 20 2.282 -7.671 -2.366 1.00 0.00 C ATOM 315 O ILE A 20 2.571 -8.263 -1.327 1.00 0.00 O ATOM 316 CB ILE A 20 1.684 -5.211 -1.973 1.00 0.00 C ATOM 317 CG1 ILE A 20 1.857 -3.825 -2.599 1.00 0.00 C ATOM 318 CG2 ILE A 20 1.788 -5.168 -0.447 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.339 -3.480 -2.764 1.00 0.00 C ATOM 0 H ILE A 20 2.172 -5.360 -4.409 1.00 0.00 H new ATOM 0 HA ILE A 20 3.613 -6.056 -2.014 1.00 0.00 H new ATOM 0 HB ILE A 20 0.678 -5.551 -2.218 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.363 -3.796 -3.570 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.373 -3.076 -1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.067 -4.452 -0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.577 -6.157 -0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.795 -4.865 -0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.435 -2.490 -3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.825 -3.486 -1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.814 -4.218 -3.411 1.00 0.00 H new ATOM 331 N LYS A 21 1.621 -8.211 -3.379 1.00 0.00 N ATOM 332 CA LYS A 21 1.177 -9.594 -3.330 1.00 0.00 C ATOM 333 C LYS A 21 2.365 -10.517 -3.609 1.00 0.00 C ATOM 334 O LYS A 21 2.458 -11.604 -3.040 1.00 0.00 O ATOM 335 CB LYS A 21 -0.005 -9.810 -4.277 1.00 0.00 C ATOM 336 CG LYS A 21 -1.240 -9.044 -3.797 1.00 0.00 C ATOM 337 CD LYS A 21 -2.510 -9.580 -4.460 1.00 0.00 C ATOM 338 CE LYS A 21 -2.498 -9.311 -5.966 1.00 0.00 C ATOM 339 NZ LYS A 21 -1.941 -10.473 -6.695 1.00 0.00 N ATOM 0 H LYS A 21 1.382 -7.716 -4.238 1.00 0.00 H new ATOM 0 HA LYS A 21 0.808 -9.841 -2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.264 -9.481 -5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.235 -10.874 -4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.327 -9.130 -2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.126 -7.984 -4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.594 -10.652 -4.279 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.385 -9.111 -4.010 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.511 -9.108 -6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.904 -8.422 -6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.182 -10.153 -7.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.557 -11.159 -6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.692 -10.924 -7.255 1.00 0.00 H new ATOM 353 N LYS A 22 3.243 -10.051 -4.484 1.00 0.00 N ATOM 354 CA LYS A 22 4.421 -10.821 -4.845 1.00 0.00 C ATOM 355 C LYS A 22 5.402 -10.826 -3.671 1.00 0.00 C ATOM 356 O LYS A 22 5.866 -11.884 -3.250 1.00 0.00 O ATOM 357 CB LYS A 22 5.026 -10.296 -6.149 1.00 0.00 C ATOM 358 CG LYS A 22 6.529 -10.574 -6.207 1.00 0.00 C ATOM 359 CD LYS A 22 6.973 -10.889 -7.637 1.00 0.00 C ATOM 360 CE LYS A 22 8.347 -11.563 -7.648 1.00 0.00 C ATOM 361 NZ LYS A 22 8.251 -12.946 -7.129 1.00 0.00 N ATOM 0 H LYS A 22 3.162 -9.149 -4.954 1.00 0.00 H new ATOM 0 HA LYS A 22 4.152 -11.859 -5.040 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.532 -10.767 -6.999 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.847 -9.224 -6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.077 -9.709 -5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.773 -11.412 -5.554 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.241 -11.540 -8.114 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.010 -9.969 -8.221 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.744 -11.576 -8.663 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.045 -10.988 -7.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.068 -13.498 -7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.244 -12.927 -6.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.373 -13.386 -7.473 1.00 0.00 H new ATOM 375 N VAL A 23 5.687 -9.631 -3.175 1.00 0.00 N ATOM 376 CA VAL A 23 6.604 -9.484 -2.057 1.00 0.00 C ATOM 377 C VAL A 23 6.122 -10.349 -0.891 1.00 0.00 C ATOM 378 O VAL A 23 6.930 -10.934 -0.172 1.00 0.00 O ATOM 379 CB VAL A 23 6.745 -8.006 -1.686 1.00 0.00 C ATOM 380 CG1 VAL A 23 7.309 -7.847 -0.273 1.00 0.00 C ATOM 381 CG2 VAL A 23 7.609 -7.265 -2.709 1.00 0.00 C ATOM 0 H VAL A 23 5.299 -8.756 -3.527 1.00 0.00 H new ATOM 0 HA VAL A 23 7.600 -9.833 -2.331 1.00 0.00 H new ATOM 0 HB VAL A 23 5.751 -7.560 -1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.399 -6.787 -0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.639 -8.324 0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.291 -8.316 -0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.694 -6.217 -2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.602 -7.714 -2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.148 -7.336 -3.694 1.00 0.00 H new ATOM 391 N ALA A 24 4.807 -10.403 -0.739 1.00 0.00 N ATOM 392 CA ALA A 24 4.207 -11.187 0.327 1.00 0.00 C ATOM 393 C ALA A 24 4.281 -12.672 -0.034 1.00 0.00 C ATOM 394 O ALA A 24 4.642 -13.500 0.800 1.00 0.00 O ATOM 395 CB ALA A 24 2.772 -10.714 0.564 1.00 0.00 C ATOM 0 H ALA A 24 4.140 -9.916 -1.337 1.00 0.00 H new ATOM 0 HA ALA A 24 4.753 -11.048 1.260 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.322 -11.302 1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.778 -9.661 0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.192 -10.841 -0.350 1.00 0.00 H new ATOM 401 N GLN A 25 3.932 -12.963 -1.279 1.00 0.00 N ATOM 402 CA GLN A 25 3.954 -14.334 -1.761 1.00 0.00 C ATOM 403 C GLN A 25 5.343 -14.944 -1.564 1.00 0.00 C ATOM 404 O GLN A 25 5.470 -16.145 -1.332 1.00 0.00 O ATOM 405 CB GLN A 25 3.526 -14.406 -3.228 1.00 0.00 C ATOM 406 CG GLN A 25 2.012 -14.593 -3.349 1.00 0.00 C ATOM 407 CD GLN A 25 1.624 -15.009 -4.769 1.00 0.00 C ATOM 408 OE1 GLN A 25 1.574 -16.180 -5.108 1.00 0.00 O ATOM 409 NE2 GLN A 25 1.352 -13.988 -5.577 1.00 0.00 N ATOM 0 H GLN A 25 3.633 -12.273 -1.968 1.00 0.00 H new ATOM 0 HA GLN A 25 3.238 -14.915 -1.179 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.826 -13.493 -3.743 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.039 -15.233 -3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.677 -15.350 -2.640 1.00 0.00 H new ATOM 0 HG3 GLN A 25 1.505 -13.664 -3.087 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.413 -13.031 -5.228 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.082 -14.162 -6.545 1.00 0.00 H new ATOM 418 N GLU A 26 6.350 -14.088 -1.664 1.00 0.00 N ATOM 419 CA GLU A 26 7.725 -14.528 -1.500 1.00 0.00 C ATOM 420 C GLU A 26 8.078 -14.622 -0.014 1.00 0.00 C ATOM 421 O GLU A 26 9.177 -15.046 0.340 1.00 0.00 O ATOM 422 CB GLU A 26 8.690 -13.595 -2.235 1.00 0.00 C ATOM 423 CG GLU A 26 9.782 -14.391 -2.952 1.00 0.00 C ATOM 424 CD GLU A 26 11.149 -13.726 -2.780 1.00 0.00 C ATOM 425 OE1 GLU A 26 11.249 -12.533 -3.141 1.00 0.00 O ATOM 426 OE2 GLU A 26 12.062 -14.425 -2.291 1.00 0.00 O ATOM 0 H GLU A 26 6.241 -13.092 -1.857 1.00 0.00 H new ATOM 0 HA GLU A 26 7.824 -15.520 -1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.140 -12.993 -2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.145 -12.904 -1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.815 -15.406 -2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.543 -14.469 -4.013 1.00 0.00 H new ATOM 433 N ASN A 27 7.125 -14.221 0.814 1.00 0.00 N ATOM 434 CA ASN A 27 7.322 -14.255 2.254 1.00 0.00 C ATOM 435 C ASN A 27 6.207 -15.082 2.897 1.00 0.00 C ATOM 436 O ASN A 27 6.061 -15.090 4.118 1.00 0.00 O ATOM 437 CB ASN A 27 7.272 -12.848 2.850 1.00 0.00 C ATOM 438 CG ASN A 27 8.613 -12.131 2.679 1.00 0.00 C ATOM 439 OD1 ASN A 27 9.604 -12.453 3.313 1.00 0.00 O ATOM 440 ND2 ASN A 27 8.588 -11.143 1.789 1.00 0.00 N ATOM 0 H ASN A 27 6.214 -13.871 0.516 1.00 0.00 H new ATOM 0 HA ASN A 27 8.300 -14.694 2.451 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.483 -12.272 2.366 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.019 -12.907 3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.433 -10.603 1.603 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.724 -10.926 1.293 1.00 0.00 H new ATOM 447 N ASN A 28 5.449 -15.758 2.046 1.00 0.00 N ATOM 448 CA ASN A 28 4.351 -16.585 2.517 1.00 0.00 C ATOM 449 C ASN A 28 3.420 -15.742 3.389 1.00 0.00 C ATOM 450 O ASN A 28 2.848 -16.242 4.357 1.00 0.00 O ATOM 451 CB ASN A 28 4.864 -17.752 3.363 1.00 0.00 C ATOM 452 CG ASN A 28 4.033 -19.013 3.119 1.00 0.00 C ATOM 453 OD1 ASN A 28 3.609 -19.304 2.013 1.00 0.00 O ATOM 454 ND2 ASN A 28 3.826 -19.744 4.211 1.00 0.00 N ATOM 0 H ASN A 28 5.573 -15.750 1.034 1.00 0.00 H new ATOM 0 HA ASN A 28 3.825 -16.975 1.645 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.909 -17.949 3.122 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.825 -17.485 4.419 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.284 -20.606 4.153 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.210 -19.443 5.107 1.00 0.00 H new ATOM 461 N ILE A 29 3.296 -14.477 3.016 1.00 0.00 N ATOM 462 CA ILE A 29 2.444 -13.559 3.753 1.00 0.00 C ATOM 463 C ILE A 29 1.103 -13.422 3.029 1.00 0.00 C ATOM 464 O ILE A 29 1.064 -13.101 1.842 1.00 0.00 O ATOM 465 CB ILE A 29 3.160 -12.226 3.978 1.00 0.00 C ATOM 466 CG1 ILE A 29 4.377 -12.405 4.888 1.00 0.00 C ATOM 467 CG2 ILE A 29 2.194 -11.168 4.514 1.00 0.00 C ATOM 468 CD1 ILE A 29 5.052 -11.061 5.171 1.00 0.00 C ATOM 0 H ILE A 29 3.771 -14.066 2.213 1.00 0.00 H new ATOM 0 HA ILE A 29 2.232 -13.952 4.747 1.00 0.00 H new ATOM 0 HB ILE A 29 3.527 -11.868 3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.069 -12.866 5.826 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.090 -13.083 4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.729 -10.230 4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.388 -11.015 3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.776 -11.504 5.463 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.914 -11.216 5.820 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.380 -10.614 4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.343 -10.394 5.662 1.00 0.00 H new ATOM 480 N GLU A 30 0.036 -13.672 3.773 1.00 0.00 N ATOM 481 CA GLU A 30 -1.303 -13.580 3.217 1.00 0.00 C ATOM 482 C GLU A 30 -1.996 -12.308 3.708 1.00 0.00 C ATOM 483 O GLU A 30 -3.190 -12.119 3.480 1.00 0.00 O ATOM 484 CB GLU A 30 -2.127 -14.822 3.563 1.00 0.00 C ATOM 485 CG GLU A 30 -2.606 -15.534 2.296 1.00 0.00 C ATOM 486 CD GLU A 30 -3.163 -16.921 2.623 1.00 0.00 C ATOM 487 OE1 GLU A 30 -2.421 -17.693 3.268 1.00 0.00 O ATOM 488 OE2 GLU A 30 -4.318 -17.177 2.221 1.00 0.00 O ATOM 0 H GLU A 30 0.072 -13.938 4.757 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.221 -13.529 2.131 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.526 -15.505 4.163 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.986 -14.535 4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.375 -14.936 1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.779 -15.627 1.592 1.00 0.00 H new ATOM 495 N ASN A 31 -1.218 -11.468 4.375 1.00 0.00 N ATOM 496 CA ASN A 31 -1.742 -10.219 4.900 1.00 0.00 C ATOM 497 C ASN A 31 -0.627 -9.171 4.921 1.00 0.00 C ATOM 498 O ASN A 31 -0.197 -8.738 5.989 1.00 0.00 O ATOM 499 CB ASN A 31 -2.252 -10.395 6.332 1.00 0.00 C ATOM 500 CG ASN A 31 -3.335 -9.365 6.659 1.00 0.00 C ATOM 501 OD1 ASN A 31 -4.448 -9.418 6.164 1.00 0.00 O ATOM 502 ND2 ASN A 31 -2.947 -8.427 7.519 1.00 0.00 N ATOM 0 H ASN A 31 -0.229 -11.628 4.564 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.565 -9.903 4.259 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.652 -11.401 6.458 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.423 -10.291 7.032 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.597 -7.694 7.801 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.999 -8.441 7.896 1.00 0.00 H new ATOM 509 N PRO A 32 -0.180 -8.785 3.696 1.00 0.00 N ATOM 510 CA PRO A 32 0.877 -7.796 3.563 1.00 0.00 C ATOM 511 C PRO A 32 0.351 -6.389 3.853 1.00 0.00 C ATOM 512 O PRO A 32 -0.490 -5.873 3.119 1.00 0.00 O ATOM 513 CB PRO A 32 1.390 -7.957 2.142 1.00 0.00 C ATOM 514 CG PRO A 32 0.300 -8.701 1.387 1.00 0.00 C ATOM 515 CD PRO A 32 -0.665 -9.277 2.410 1.00 0.00 C ATOM 0 HA PRO A 32 1.683 -7.943 4.282 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.588 -6.987 1.686 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.327 -8.514 2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.222 -8.027 0.707 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.731 -9.496 0.779 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -1.687 -8.948 2.220 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.670 -10.367 2.379 1.00 0.00 H new ATOM 523 N ILE A 33 0.867 -5.808 4.927 1.00 0.00 N ATOM 524 CA ILE A 33 0.460 -4.471 5.323 1.00 0.00 C ATOM 525 C ILE A 33 1.365 -3.444 4.639 1.00 0.00 C ATOM 526 O ILE A 33 2.510 -3.253 5.044 1.00 0.00 O ATOM 527 CB ILE A 33 0.434 -4.349 6.848 1.00 0.00 C ATOM 528 CG1 ILE A 33 -0.883 -4.879 7.418 1.00 0.00 C ATOM 529 CG2 ILE A 33 0.711 -2.910 7.287 1.00 0.00 C ATOM 530 CD1 ILE A 33 -0.629 -5.912 8.517 1.00 0.00 C ATOM 0 H ILE A 33 1.563 -6.239 5.535 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.559 -4.269 4.993 1.00 0.00 H new ATOM 0 HB ILE A 33 1.233 -4.969 7.254 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.468 -4.052 7.820 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.473 -5.329 6.620 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.687 -2.851 8.375 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.694 -2.603 6.929 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.050 -2.250 6.871 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.582 -6.272 8.905 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.065 -6.749 8.106 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.059 -5.452 9.324 1.00 0.00 H new ATOM 542 N LEU A 34 0.815 -2.809 3.614 1.00 0.00 N ATOM 543 CA LEU A 34 1.558 -1.805 2.871 1.00 0.00 C ATOM 544 C LEU A 34 1.317 -0.430 3.496 1.00 0.00 C ATOM 545 O LEU A 34 0.207 0.098 3.435 1.00 0.00 O ATOM 546 CB LEU A 34 1.208 -1.874 1.383 1.00 0.00 C ATOM 547 CG LEU A 34 2.179 -1.170 0.432 1.00 0.00 C ATOM 548 CD1 LEU A 34 3.485 -1.956 0.301 1.00 0.00 C ATOM 549 CD2 LEU A 34 1.526 -0.912 -0.927 1.00 0.00 C ATOM 0 H LEU A 34 -0.135 -2.970 3.281 1.00 0.00 H new ATOM 0 HA LEU A 34 2.629 -2.000 2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.143 -2.923 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.217 -1.443 1.243 1.00 0.00 H new ATOM 0 HG LEU A 34 2.430 -0.198 0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.157 -1.434 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.957 -2.044 1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.273 -2.951 -0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.238 -0.411 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.227 -1.861 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.648 -0.280 -0.795 1.00 0.00 H new ATOM 561 N ARG A 35 2.374 0.111 4.084 1.00 0.00 N ATOM 562 CA ARG A 35 2.290 1.414 4.721 1.00 0.00 C ATOM 563 C ARG A 35 3.026 2.462 3.883 1.00 0.00 C ATOM 564 O ARG A 35 4.141 2.221 3.421 1.00 0.00 O ATOM 565 CB ARG A 35 2.894 1.380 6.127 1.00 0.00 C ATOM 566 CG ARG A 35 3.177 2.795 6.636 1.00 0.00 C ATOM 567 CD ARG A 35 2.899 2.903 8.136 1.00 0.00 C ATOM 568 NE ARG A 35 3.491 4.150 8.672 1.00 0.00 N ATOM 569 CZ ARG A 35 4.775 4.277 9.032 1.00 0.00 C ATOM 570 NH1 ARG A 35 5.610 3.236 8.916 1.00 0.00 N ATOM 571 NH2 ARG A 35 5.225 5.447 9.508 1.00 0.00 N ATOM 0 H ARG A 35 3.293 -0.329 4.133 1.00 0.00 H new ATOM 0 HA ARG A 35 1.235 1.679 4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.210 0.874 6.809 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.818 0.802 6.116 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.216 3.057 6.435 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.558 3.511 6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.824 2.894 8.317 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.317 2.040 8.655 1.00 0.00 H new ATOM 0 HE ARG A 35 2.883 4.963 8.773 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.268 2.346 8.553 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.588 3.333 9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.590 6.240 9.596 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.203 5.544 9.782 1.00 0.00 H new ATOM 585 N ILE A 36 2.373 3.602 3.713 1.00 0.00 N ATOM 586 CA ILE A 36 2.952 4.687 2.939 1.00 0.00 C ATOM 587 C ILE A 36 3.764 5.593 3.866 1.00 0.00 C ATOM 588 O ILE A 36 3.201 6.281 4.717 1.00 0.00 O ATOM 589 CB ILE A 36 1.864 5.426 2.156 1.00 0.00 C ATOM 590 CG1 ILE A 36 1.564 4.716 0.833 1.00 0.00 C ATOM 591 CG2 ILE A 36 2.240 6.894 1.946 1.00 0.00 C ATOM 592 CD1 ILE A 36 1.076 3.287 1.076 1.00 0.00 C ATOM 0 H ILE A 36 1.449 3.798 4.098 1.00 0.00 H new ATOM 0 HA ILE A 36 3.642 4.295 2.191 1.00 0.00 H new ATOM 0 HB ILE A 36 0.948 5.410 2.746 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.808 5.273 0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.461 4.697 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.450 7.396 1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.364 7.380 2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.174 6.954 1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.870 2.805 0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.844 2.725 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.165 3.310 1.674 1.00 0.00 H new ATOM 604 N ARG A 37 5.074 5.564 3.671 1.00 0.00 N ATOM 605 CA ARG A 37 5.969 6.374 4.480 1.00 0.00 C ATOM 606 C ARG A 37 6.854 7.243 3.583 1.00 0.00 C ATOM 607 O ARG A 37 7.501 6.739 2.667 1.00 0.00 O ATOM 608 CB ARG A 37 6.857 5.498 5.365 1.00 0.00 C ATOM 609 CG ARG A 37 7.476 6.314 6.501 1.00 0.00 C ATOM 610 CD ARG A 37 8.818 6.914 6.078 1.00 0.00 C ATOM 611 NE ARG A 37 9.841 6.647 7.113 1.00 0.00 N ATOM 612 CZ ARG A 37 11.104 7.091 7.054 1.00 0.00 C ATOM 613 NH1 ARG A 37 11.507 7.826 6.009 1.00 0.00 N ATOM 614 NH2 ARG A 37 11.964 6.800 8.039 1.00 0.00 N ATOM 0 H ARG A 37 5.537 4.992 2.965 1.00 0.00 H new ATOM 0 HA ARG A 37 5.355 7.010 5.118 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.268 4.679 5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.647 5.049 4.763 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.793 7.112 6.794 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.617 5.678 7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.132 6.487 5.126 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.714 7.988 5.927 1.00 0.00 H new ATOM 0 HE ARG A 37 9.568 6.090 7.922 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.853 8.048 5.259 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.468 8.164 5.964 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.658 6.240 8.835 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.925 7.138 7.993 1.00 0.00 H new ATOM 628 N VAL A 38 6.854 8.535 3.880 1.00 0.00 N ATOM 629 CA VAL A 38 7.649 9.479 3.112 1.00 0.00 C ATOM 630 C VAL A 38 9.134 9.174 3.318 1.00 0.00 C ATOM 631 O VAL A 38 9.677 9.413 4.395 1.00 0.00 O ATOM 632 CB VAL A 38 7.274 10.912 3.495 1.00 0.00 C ATOM 633 CG1 VAL A 38 7.756 11.906 2.437 1.00 0.00 C ATOM 634 CG2 VAL A 38 5.766 11.041 3.723 1.00 0.00 C ATOM 0 H VAL A 38 6.317 8.950 4.641 1.00 0.00 H new ATOM 0 HA VAL A 38 7.441 9.377 2.047 1.00 0.00 H new ATOM 0 HB VAL A 38 7.776 11.151 4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.477 12.917 2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.840 11.842 2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.295 11.669 1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.526 12.069 3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.236 10.773 2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.461 10.373 4.528 1.00 0.00 H new ATOM 644 N VAL A 39 9.749 8.650 2.268 1.00 0.00 N ATOM 645 CA VAL A 39 11.161 8.311 2.320 1.00 0.00 C ATOM 646 C VAL A 39 11.958 9.336 1.511 1.00 0.00 C ATOM 647 O VAL A 39 11.807 9.425 0.293 1.00 0.00 O ATOM 648 CB VAL A 39 11.371 6.874 1.836 1.00 0.00 C ATOM 649 CG1 VAL A 39 11.256 6.786 0.313 1.00 0.00 C ATOM 650 CG2 VAL A 39 12.716 6.326 2.317 1.00 0.00 C ATOM 0 H VAL A 39 9.295 8.452 1.376 1.00 0.00 H new ATOM 0 HA VAL A 39 11.526 8.352 3.346 1.00 0.00 H new ATOM 0 HB VAL A 39 10.583 6.256 2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.409 5.755 -0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.265 7.118 0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 39 12.012 7.423 -0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 39 12.841 5.304 1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 39 13.522 6.948 1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 39 12.744 6.336 3.407 1.00 0.00 H new ATOM 660 N PRO A 40 12.810 10.106 2.240 1.00 0.00 N ATOM 661 CA PRO A 40 13.631 11.122 1.603 1.00 0.00 C ATOM 662 C PRO A 40 14.798 10.487 0.844 1.00 0.00 C ATOM 663 O PRO A 40 15.873 10.285 1.406 1.00 0.00 O ATOM 664 CB PRO A 40 14.083 12.029 2.736 1.00 0.00 C ATOM 665 CG PRO A 40 13.886 11.229 4.014 1.00 0.00 C ATOM 666 CD PRO A 40 13.014 10.029 3.683 1.00 0.00 C ATOM 0 HA PRO A 40 13.087 11.690 0.848 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.127 12.317 2.613 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.499 12.949 2.757 1.00 0.00 H new ATOM 0 HG2 PRO A 40 14.847 10.904 4.413 1.00 0.00 H new ATOM 0 HG3 PRO A 40 13.414 11.844 4.780 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.501 9.096 3.965 1.00 0.00 H new ATOM 0 HD3 PRO A 40 12.066 10.068 4.220 1.00 0.00 H new ATOM 674 N GLY A 41 14.546 10.191 -0.423 1.00 0.00 N ATOM 675 CA GLY A 41 15.562 9.583 -1.266 1.00 0.00 C ATOM 676 C GLY A 41 15.930 10.503 -2.432 1.00 0.00 C ATOM 677 O GLY A 41 17.092 10.869 -2.596 1.00 0.00 O ATOM 0 H GLY A 41 13.653 10.361 -0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.451 9.368 -0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 41 15.198 8.630 -1.651 1.00 0.00 H new ATOM 681 N GLY A 42 14.916 10.851 -3.211 1.00 0.00 N ATOM 682 CA GLY A 42 15.118 11.721 -4.357 1.00 0.00 C ATOM 683 C GLY A 42 15.475 13.140 -3.912 1.00 0.00 C ATOM 684 O GLY A 42 15.224 13.517 -2.768 1.00 0.00 O ATOM 0 H GLY A 42 13.953 10.546 -3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.914 11.322 -4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.214 11.743 -4.965 1.00 0.00 H new ATOM 688 N CYS A 43 16.054 13.889 -4.838 1.00 0.00 N ATOM 689 CA CYS A 43 16.449 15.259 -4.556 1.00 0.00 C ATOM 690 C CYS A 43 15.205 16.145 -4.645 1.00 0.00 C ATOM 691 O CYS A 43 14.923 16.920 -3.732 1.00 0.00 O ATOM 692 CB CYS A 43 17.557 15.734 -5.497 1.00 0.00 C ATOM 693 SG CYS A 43 19.186 15.565 -4.681 1.00 0.00 S ATOM 0 H CYS A 43 16.260 13.573 -5.786 1.00 0.00 H new ATOM 0 HA CYS A 43 16.867 15.320 -3.551 1.00 0.00 H new ATOM 0 HB2 CYS A 43 17.539 15.150 -6.417 1.00 0.00 H new ATOM 0 HB3 CYS A 43 17.387 16.774 -5.777 1.00 0.00 H new ATOM 0 HG CYS A 43 20.120 15.969 -5.490 1.00 0.00 H new ATOM 699 N SER A 44 14.493 16.001 -5.754 1.00 0.00 N ATOM 700 CA SER A 44 13.286 16.779 -5.974 1.00 0.00 C ATOM 701 C SER A 44 12.067 15.855 -6.005 1.00 0.00 C ATOM 702 O SER A 44 11.054 16.136 -5.366 1.00 0.00 O ATOM 703 CB SER A 44 13.377 17.580 -7.274 1.00 0.00 C ATOM 704 OG SER A 44 13.901 18.888 -7.060 1.00 0.00 O ATOM 0 H SER A 44 14.729 15.357 -6.509 1.00 0.00 H new ATOM 0 HA SER A 44 13.179 17.485 -5.150 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.010 17.048 -7.984 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.387 17.655 -7.723 1.00 0.00 H new ATOM 0 HG SER A 44 13.945 19.367 -7.914 1.00 0.00 H new ATOM 710 N GLY A 45 12.204 14.771 -6.754 1.00 0.00 N ATOM 711 CA GLY A 45 11.126 13.804 -6.876 1.00 0.00 C ATOM 712 C GLY A 45 11.152 12.805 -5.717 1.00 0.00 C ATOM 713 O GLY A 45 11.703 11.712 -5.847 1.00 0.00 O ATOM 0 H GLY A 45 13.045 14.541 -7.283 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.167 14.323 -6.892 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.216 13.271 -7.822 1.00 0.00 H new ATOM 717 N PHE A 46 10.550 13.215 -4.611 1.00 0.00 N ATOM 718 CA PHE A 46 10.497 12.369 -3.430 1.00 0.00 C ATOM 719 C PHE A 46 9.362 11.348 -3.537 1.00 0.00 C ATOM 720 O PHE A 46 8.190 11.705 -3.430 1.00 0.00 O ATOM 721 CB PHE A 46 10.231 13.286 -2.235 1.00 0.00 C ATOM 722 CG PHE A 46 11.129 14.524 -2.189 1.00 0.00 C ATOM 723 CD1 PHE A 46 12.445 14.399 -1.870 1.00 0.00 C ATOM 724 CD2 PHE A 46 10.610 15.751 -2.467 1.00 0.00 C ATOM 725 CE1 PHE A 46 13.278 15.548 -1.827 1.00 0.00 C ATOM 726 CE2 PHE A 46 11.443 16.900 -2.424 1.00 0.00 C ATOM 727 CZ PHE A 46 12.759 16.774 -2.104 1.00 0.00 C ATOM 0 H PHE A 46 10.095 14.122 -4.507 1.00 0.00 H new ATOM 0 HA PHE A 46 11.433 11.821 -3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 46 9.189 13.606 -2.260 1.00 0.00 H new ATOM 0 HB3 PHE A 46 10.367 12.717 -1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.857 13.425 -1.649 1.00 0.00 H new ATOM 0 HD2 PHE A 46 9.565 15.851 -2.720 1.00 0.00 H new ATOM 0 HE1 PHE A 46 14.323 15.448 -1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 46 11.032 17.874 -2.645 1.00 0.00 H new ATOM 0 HZ PHE A 46 13.392 17.648 -2.070 1.00 0.00 H new ATOM 737 N GLN A 47 9.751 10.099 -3.748 1.00 0.00 N ATOM 738 CA GLN A 47 8.781 9.025 -3.871 1.00 0.00 C ATOM 739 C GLN A 47 8.628 8.292 -2.536 1.00 0.00 C ATOM 740 O GLN A 47 9.377 8.548 -1.594 1.00 0.00 O ATOM 741 CB GLN A 47 9.175 8.054 -4.986 1.00 0.00 C ATOM 742 CG GLN A 47 10.678 7.769 -4.958 1.00 0.00 C ATOM 743 CD GLN A 47 11.438 8.738 -5.866 1.00 0.00 C ATOM 744 OE1 GLN A 47 10.906 9.280 -6.821 1.00 0.00 O ATOM 745 NE2 GLN A 47 12.707 8.926 -5.516 1.00 0.00 N ATOM 0 H GLN A 47 10.724 9.807 -3.837 1.00 0.00 H new ATOM 0 HA GLN A 47 7.818 9.461 -4.137 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.622 7.121 -4.873 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.899 8.474 -5.953 1.00 0.00 H new ATOM 0 HG2 GLN A 47 11.049 7.856 -3.937 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.863 6.744 -5.279 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.090 8.441 -4.705 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.298 9.556 -6.059 1.00 0.00 H new ATOM 754 N TYR A 48 7.653 7.396 -2.497 1.00 0.00 N ATOM 755 CA TYR A 48 7.392 6.625 -1.293 1.00 0.00 C ATOM 756 C TYR A 48 7.651 5.136 -1.530 1.00 0.00 C ATOM 757 O TYR A 48 7.064 4.535 -2.429 1.00 0.00 O ATOM 758 CB TYR A 48 5.910 6.829 -0.975 1.00 0.00 C ATOM 759 CG TYR A 48 5.494 8.297 -0.862 1.00 0.00 C ATOM 760 CD1 TYR A 48 5.221 9.026 -2.002 1.00 0.00 C ATOM 761 CD2 TYR A 48 5.392 8.892 0.379 1.00 0.00 C ATOM 762 CE1 TYR A 48 4.829 10.408 -1.896 1.00 0.00 C ATOM 763 CE2 TYR A 48 5.000 10.274 0.485 1.00 0.00 C ATOM 764 CZ TYR A 48 4.738 10.964 -0.658 1.00 0.00 C ATOM 765 OH TYR A 48 4.369 12.269 -0.558 1.00 0.00 O ATOM 0 H TYR A 48 7.034 7.186 -3.280 1.00 0.00 H new ATOM 0 HA TYR A 48 8.042 6.949 -0.480 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.313 6.352 -1.752 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.677 6.323 -0.038 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.301 8.560 -2.973 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.606 8.321 1.271 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.612 10.990 -2.780 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.916 10.752 1.450 1.00 0.00 H new ATOM 0 HH TYR A 48 4.714 12.643 0.279 1.00 0.00 H new ATOM 775 N ALA A 49 8.529 4.582 -0.707 1.00 0.00 N ATOM 776 CA ALA A 49 8.873 3.175 -0.815 1.00 0.00 C ATOM 777 C ALA A 49 7.793 2.337 -0.127 1.00 0.00 C ATOM 778 O ALA A 49 7.051 2.843 0.713 1.00 0.00 O ATOM 779 CB ALA A 49 10.261 2.940 -0.217 1.00 0.00 C ATOM 0 H ALA A 49 9.013 5.083 0.038 1.00 0.00 H new ATOM 0 HA ALA A 49 8.913 2.869 -1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.518 1.884 -0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.996 3.535 -0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.259 3.233 0.833 1.00 0.00 H new ATOM 785 N MET A 50 7.739 1.069 -0.510 1.00 0.00 N ATOM 786 CA MET A 50 6.763 0.156 0.060 1.00 0.00 C ATOM 787 C MET A 50 7.451 -0.983 0.813 1.00 0.00 C ATOM 788 O MET A 50 8.591 -1.334 0.509 1.00 0.00 O ATOM 789 CB MET A 50 5.892 -0.422 -1.058 1.00 0.00 C ATOM 790 CG MET A 50 4.676 0.468 -1.322 1.00 0.00 C ATOM 791 SD MET A 50 4.761 1.142 -2.973 1.00 0.00 S ATOM 792 CE MET A 50 4.143 -0.247 -3.907 1.00 0.00 C ATOM 0 H MET A 50 8.355 0.653 -1.208 1.00 0.00 H new ATOM 0 HA MET A 50 6.144 0.710 0.766 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.481 -0.518 -1.970 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.561 -1.424 -0.785 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.759 -0.110 -1.203 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.641 1.276 -0.592 1.00 0.00 H new ATOM 0 HE1 MET A 50 4.079 0.023 -4.961 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.819 -1.094 -3.790 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.153 -0.520 -3.542 1.00 0.00 H new ATOM 802 N GLY A 51 6.731 -1.530 1.781 1.00 0.00 N ATOM 803 CA GLY A 51 7.259 -2.623 2.580 1.00 0.00 C ATOM 804 C GLY A 51 6.253 -3.056 3.650 1.00 0.00 C ATOM 805 O GLY A 51 5.175 -2.475 3.764 1.00 0.00 O ATOM 0 H GLY A 51 5.786 -1.237 2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.496 -3.469 1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.190 -2.314 3.055 1.00 0.00 H new ATOM 809 N PHE A 52 6.643 -4.072 4.406 1.00 0.00 N ATOM 810 CA PHE A 52 5.789 -4.589 5.462 1.00 0.00 C ATOM 811 C PHE A 52 6.357 -4.250 6.841 1.00 0.00 C ATOM 812 O PHE A 52 7.223 -4.959 7.351 1.00 0.00 O ATOM 813 CB PHE A 52 5.748 -6.109 5.300 1.00 0.00 C ATOM 814 CG PHE A 52 5.245 -6.576 3.932 1.00 0.00 C ATOM 815 CD1 PHE A 52 4.418 -5.779 3.204 1.00 0.00 C ATOM 816 CD2 PHE A 52 5.624 -7.788 3.445 1.00 0.00 C ATOM 817 CE1 PHE A 52 3.951 -6.212 1.935 1.00 0.00 C ATOM 818 CE2 PHE A 52 5.157 -8.221 2.176 1.00 0.00 C ATOM 819 CZ PHE A 52 4.330 -7.424 1.447 1.00 0.00 C ATOM 0 H PHE A 52 7.538 -4.551 4.308 1.00 0.00 H new ATOM 0 HA PHE A 52 4.796 -4.145 5.388 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.749 -6.509 5.463 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.106 -6.529 6.074 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.116 -4.817 3.591 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.280 -8.421 4.024 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.294 -5.579 1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.458 -9.183 1.789 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.975 -7.753 0.482 1.00 0.00 H new ATOM 829 N ASP A 53 5.846 -3.166 7.406 1.00 0.00 N ATOM 830 CA ASP A 53 6.292 -2.724 8.717 1.00 0.00 C ATOM 831 C ASP A 53 5.282 -1.725 9.284 1.00 0.00 C ATOM 832 O ASP A 53 4.577 -1.054 8.532 1.00 0.00 O ATOM 833 CB ASP A 53 7.651 -2.026 8.631 1.00 0.00 C ATOM 834 CG ASP A 53 8.845 -2.881 9.060 1.00 0.00 C ATOM 835 OD1 ASP A 53 8.929 -3.169 10.274 1.00 0.00 O ATOM 836 OD2 ASP A 53 9.647 -3.226 8.166 1.00 0.00 O ATOM 0 H ASP A 53 5.127 -2.581 6.980 1.00 0.00 H new ATOM 0 HA ASP A 53 6.378 -3.602 9.357 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.809 -1.697 7.604 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.623 -1.131 9.252 1.00 0.00 H new ATOM 841 N ASP A 54 5.245 -1.656 10.607 1.00 0.00 N ATOM 842 CA ASP A 54 4.333 -0.750 11.284 1.00 0.00 C ATOM 843 C ASP A 54 2.899 -1.255 11.115 1.00 0.00 C ATOM 844 O ASP A 54 2.215 -0.886 10.161 1.00 0.00 O ATOM 845 CB ASP A 54 4.412 0.657 10.688 1.00 0.00 C ATOM 846 CG ASP A 54 4.887 1.744 11.655 1.00 0.00 C ATOM 847 OD1 ASP A 54 6.060 1.653 12.078 1.00 0.00 O ATOM 848 OD2 ASP A 54 4.067 2.640 11.950 1.00 0.00 O ATOM 0 H ASP A 54 5.832 -2.213 11.228 1.00 0.00 H new ATOM 0 HA ASP A 54 4.614 -0.713 12.336 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.085 0.635 9.831 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.426 0.932 10.312 1.00 0.00 H new ATOM 853 N THR A 55 2.485 -2.091 12.056 1.00 0.00 N ATOM 854 CA THR A 55 1.145 -2.651 12.023 1.00 0.00 C ATOM 855 C THR A 55 0.105 -1.537 11.897 1.00 0.00 C ATOM 856 O THR A 55 0.456 -0.373 11.710 1.00 0.00 O ATOM 857 CB THR A 55 0.962 -3.514 13.273 1.00 0.00 C ATOM 858 OG1 THR A 55 0.031 -4.515 12.870 1.00 0.00 O ATOM 859 CG2 THR A 55 0.245 -2.769 14.400 1.00 0.00 C ATOM 0 H THR A 55 3.054 -2.394 12.846 1.00 0.00 H new ATOM 0 HA THR A 55 1.003 -3.286 11.148 1.00 0.00 H new ATOM 0 HB THR A 55 1.936 -3.853 13.626 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.144 -5.120 13.621 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.141 -3.427 15.263 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.825 -1.890 14.682 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.743 -2.458 14.060 1.00 0.00 H new ATOM 867 N VAL A 56 -1.155 -1.932 12.004 1.00 0.00 N ATOM 868 CA VAL A 56 -2.249 -0.981 11.905 1.00 0.00 C ATOM 869 C VAL A 56 -2.351 -0.188 13.209 1.00 0.00 C ATOM 870 O VAL A 56 -1.951 -0.673 14.267 1.00 0.00 O ATOM 871 CB VAL A 56 -3.546 -1.710 11.546 1.00 0.00 C ATOM 872 CG1 VAL A 56 -4.681 -1.305 12.488 1.00 0.00 C ATOM 873 CG2 VAL A 56 -3.929 -1.461 10.086 1.00 0.00 C ATOM 0 H VAL A 56 -1.443 -2.898 12.158 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.061 -0.266 11.104 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.374 -2.779 11.669 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.591 -1.837 12.211 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.411 -1.558 13.513 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -4.851 -0.231 12.412 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.854 -1.990 9.857 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.073 -0.393 9.925 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.133 -1.822 9.434 1.00 0.00 H new ATOM 883 N GLU A 57 -2.888 1.017 13.092 1.00 0.00 N ATOM 884 CA GLU A 57 -3.046 1.882 14.249 1.00 0.00 C ATOM 885 C GLU A 57 -4.530 2.135 14.522 1.00 0.00 C ATOM 886 O GLU A 57 -5.385 1.770 13.716 1.00 0.00 O ATOM 887 CB GLU A 57 -2.292 3.199 14.057 1.00 0.00 C ATOM 888 CG GLU A 57 -1.001 2.981 13.264 1.00 0.00 C ATOM 889 CD GLU A 57 -0.275 4.306 13.025 1.00 0.00 C ATOM 890 OE1 GLU A 57 -0.713 5.036 12.109 1.00 0.00 O ATOM 891 OE2 GLU A 57 0.702 4.558 13.762 1.00 0.00 O ATOM 0 H GLU A 57 -3.219 1.415 12.213 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.617 1.379 15.116 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.928 3.913 13.534 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.057 3.633 15.029 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.348 2.297 13.806 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.232 2.511 12.308 1.00 0.00 H new ATOM 898 N GLU A 58 -4.791 2.758 15.662 1.00 0.00 N ATOM 899 CA GLU A 58 -6.157 3.064 16.052 1.00 0.00 C ATOM 900 C GLU A 58 -6.614 4.372 15.402 1.00 0.00 C ATOM 901 O GLU A 58 -7.553 5.009 15.876 1.00 0.00 O ATOM 902 CB GLU A 58 -6.290 3.133 17.575 1.00 0.00 C ATOM 903 CG GLU A 58 -7.658 2.619 18.029 1.00 0.00 C ATOM 904 CD GLU A 58 -7.547 1.869 19.358 1.00 0.00 C ATOM 905 OE1 GLU A 58 -7.060 0.718 19.322 1.00 0.00 O ATOM 906 OE2 GLU A 58 -7.953 2.463 20.381 1.00 0.00 O ATOM 0 H GLU A 58 -4.080 3.059 16.328 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.804 2.260 15.700 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.502 2.540 18.040 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.155 4.162 17.909 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.348 3.456 18.136 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.074 1.959 17.268 1.00 0.00 H new ATOM 913 N GLY A 59 -5.928 4.732 14.327 1.00 0.00 N ATOM 914 CA GLY A 59 -6.252 5.952 13.608 1.00 0.00 C ATOM 915 C GLY A 59 -5.480 6.032 12.289 1.00 0.00 C ATOM 916 O GLY A 59 -4.925 7.077 11.953 1.00 0.00 O ATOM 0 H GLY A 59 -5.150 4.200 13.937 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.323 5.988 13.409 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.013 6.817 14.226 1.00 0.00 H new ATOM 920 N ASP A 60 -5.470 4.915 11.578 1.00 0.00 N ATOM 921 CA ASP A 60 -4.775 4.845 10.303 1.00 0.00 C ATOM 922 C ASP A 60 -5.786 4.563 9.191 1.00 0.00 C ATOM 923 O ASP A 60 -6.606 3.653 9.309 1.00 0.00 O ATOM 924 CB ASP A 60 -3.741 3.717 10.300 1.00 0.00 C ATOM 925 CG ASP A 60 -2.284 4.176 10.214 1.00 0.00 C ATOM 926 OD1 ASP A 60 -2.081 5.405 10.115 1.00 0.00 O ATOM 927 OD2 ASP A 60 -1.407 3.286 10.248 1.00 0.00 O ATOM 0 H ASP A 60 -5.932 4.050 11.860 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.270 5.797 10.142 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.867 3.126 11.207 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.948 3.056 9.458 1.00 0.00 H new ATOM 932 N HIS A 61 -5.695 5.359 8.136 1.00 0.00 N ATOM 933 CA HIS A 61 -6.592 5.206 7.003 1.00 0.00 C ATOM 934 C HIS A 61 -6.341 3.856 6.329 1.00 0.00 C ATOM 935 O HIS A 61 -5.635 3.781 5.325 1.00 0.00 O ATOM 936 CB HIS A 61 -6.455 6.385 6.038 1.00 0.00 C ATOM 937 CG HIS A 61 -6.939 7.699 6.601 1.00 0.00 C ATOM 938 ND1 HIS A 61 -6.735 8.071 7.919 1.00 0.00 N ATOM 939 CD2 HIS A 61 -7.619 8.725 6.013 1.00 0.00 C ATOM 940 CE1 HIS A 61 -7.273 9.268 8.104 1.00 0.00 C ATOM 941 NE2 HIS A 61 -7.821 9.671 6.921 1.00 0.00 N ATOM 0 H HIS A 61 -5.014 6.112 8.042 1.00 0.00 H new ATOM 0 HA HIS A 61 -7.626 5.214 7.349 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.408 6.488 5.752 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -7.013 6.164 5.128 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -7.939 8.761 4.982 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.277 9.826 9.028 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -8.306 10.554 6.761 1.00 0.00 H new ATOM 949 N VAL A 62 -6.934 2.822 6.908 1.00 0.00 N ATOM 950 CA VAL A 62 -6.784 1.478 6.375 1.00 0.00 C ATOM 951 C VAL A 62 -7.665 1.325 5.134 1.00 0.00 C ATOM 952 O VAL A 62 -8.876 1.533 5.198 1.00 0.00 O ATOM 953 CB VAL A 62 -7.097 0.447 7.462 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.579 0.065 7.445 1.00 0.00 C ATOM 955 CG2 VAL A 62 -6.210 -0.791 7.314 1.00 0.00 C ATOM 0 H VAL A 62 -7.519 2.888 7.741 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.754 1.302 6.065 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.880 0.902 8.428 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.775 -0.669 8.227 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -9.186 0.953 7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.834 -0.362 6.475 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.452 -1.508 8.098 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.382 -1.247 6.339 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.163 -0.501 7.399 1.00 0.00 H new ATOM 965 N PHE A 63 -7.023 0.962 4.033 1.00 0.00 N ATOM 966 CA PHE A 63 -7.734 0.778 2.779 1.00 0.00 C ATOM 967 C PHE A 63 -7.609 -0.665 2.284 1.00 0.00 C ATOM 968 O PHE A 63 -6.532 -1.256 2.351 1.00 0.00 O ATOM 969 CB PHE A 63 -7.085 1.713 1.756 1.00 0.00 C ATOM 970 CG PHE A 63 -8.085 2.555 0.961 1.00 0.00 C ATOM 971 CD1 PHE A 63 -9.153 3.116 1.589 1.00 0.00 C ATOM 972 CD2 PHE A 63 -7.905 2.743 -0.374 1.00 0.00 C ATOM 973 CE1 PHE A 63 -10.080 3.897 0.851 1.00 0.00 C ATOM 974 CE2 PHE A 63 -8.833 3.524 -1.112 1.00 0.00 C ATOM 975 CZ PHE A 63 -9.901 4.085 -0.484 1.00 0.00 C ATOM 0 H PHE A 63 -6.019 0.790 3.983 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.793 0.996 2.916 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.395 2.379 2.274 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.492 1.119 1.061 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.296 2.967 2.649 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.056 2.298 -0.873 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.928 4.342 1.350 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.691 3.673 -2.172 1.00 0.00 H new ATOM 0 HZ PHE A 63 -10.607 4.680 -1.045 1.00 0.00 H new ATOM 985 N GLU A 64 -8.725 -1.189 1.800 1.00 0.00 N ATOM 986 CA GLU A 64 -8.754 -2.551 1.294 1.00 0.00 C ATOM 987 C GLU A 64 -8.328 -2.581 -0.175 1.00 0.00 C ATOM 988 O GLU A 64 -8.611 -1.648 -0.926 1.00 0.00 O ATOM 989 CB GLU A 64 -10.139 -3.174 1.477 1.00 0.00 C ATOM 990 CG GLU A 64 -10.520 -3.239 2.957 1.00 0.00 C ATOM 991 CD GLU A 64 -12.006 -3.563 3.127 1.00 0.00 C ATOM 992 OE1 GLU A 64 -12.819 -2.839 2.514 1.00 0.00 O ATOM 993 OE2 GLU A 64 -12.295 -4.529 3.866 1.00 0.00 O ATOM 0 H GLU A 64 -9.616 -0.695 1.747 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.045 -3.147 1.869 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.880 -2.588 0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.150 -4.177 1.051 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.919 -3.998 3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.295 -2.286 3.436 1.00 0.00 H new ATOM 1000 N TYR A 65 -7.656 -3.662 -0.542 1.00 0.00 N ATOM 1001 CA TYR A 65 -7.189 -3.825 -1.908 1.00 0.00 C ATOM 1002 C TYR A 65 -7.422 -5.255 -2.399 1.00 0.00 C ATOM 1003 O TYR A 65 -8.273 -5.967 -1.868 1.00 0.00 O ATOM 1004 CB TYR A 65 -5.684 -3.549 -1.875 1.00 0.00 C ATOM 1005 CG TYR A 65 -5.255 -2.342 -2.712 1.00 0.00 C ATOM 1006 CD1 TYR A 65 -5.660 -2.235 -4.027 1.00 0.00 C ATOM 1007 CD2 TYR A 65 -4.463 -1.361 -2.152 1.00 0.00 C ATOM 1008 CE1 TYR A 65 -5.256 -1.099 -4.814 1.00 0.00 C ATOM 1009 CE2 TYR A 65 -4.059 -0.225 -2.939 1.00 0.00 C ATOM 1010 CZ TYR A 65 -4.475 -0.150 -4.232 1.00 0.00 C ATOM 1011 OH TYR A 65 -4.094 0.923 -4.975 1.00 0.00 O ATOM 0 H TYR A 65 -7.424 -4.434 0.083 1.00 0.00 H new ATOM 0 HA TYR A 65 -7.723 -3.152 -2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.377 -3.389 -0.841 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.155 -4.433 -2.232 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.280 -3.003 -4.466 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.146 -1.445 -1.123 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.566 -1.003 -5.844 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.440 0.550 -2.512 1.00 0.00 H new ATOM 0 HH TYR A 65 -4.491 0.860 -5.869 1.00 0.00 H new ATOM 1021 N ASP A 66 -6.651 -5.633 -3.409 1.00 0.00 N ATOM 1022 CA ASP A 66 -6.763 -6.965 -3.978 1.00 0.00 C ATOM 1023 C ASP A 66 -6.360 -8.000 -2.925 1.00 0.00 C ATOM 1024 O ASP A 66 -5.282 -8.587 -3.006 1.00 0.00 O ATOM 1025 CB ASP A 66 -5.833 -7.130 -5.182 1.00 0.00 C ATOM 1026 CG ASP A 66 -6.348 -8.070 -6.273 1.00 0.00 C ATOM 1027 OD1 ASP A 66 -6.558 -9.258 -5.947 1.00 0.00 O ATOM 1028 OD2 ASP A 66 -6.522 -7.579 -7.410 1.00 0.00 O ATOM 0 H ASP A 66 -5.947 -5.040 -3.847 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.795 -7.110 -4.297 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.656 -6.149 -5.623 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.870 -7.500 -4.830 1.00 0.00 H new ATOM 1033 N GLY A 67 -7.249 -8.193 -1.961 1.00 0.00 N ATOM 1034 CA GLY A 67 -7.000 -9.147 -0.894 1.00 0.00 C ATOM 1035 C GLY A 67 -5.727 -8.790 -0.125 1.00 0.00 C ATOM 1036 O GLY A 67 -4.905 -9.659 0.161 1.00 0.00 O ATOM 0 H GLY A 67 -8.142 -7.705 -1.897 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.849 -9.164 -0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.908 -10.149 -1.312 1.00 0.00 H new ATOM 1040 N VAL A 68 -5.602 -7.508 0.188 1.00 0.00 N ATOM 1041 CA VAL A 68 -4.443 -7.025 0.918 1.00 0.00 C ATOM 1042 C VAL A 68 -4.838 -5.795 1.738 1.00 0.00 C ATOM 1043 O VAL A 68 -5.736 -5.049 1.351 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.290 -6.752 -0.051 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -2.128 -6.057 0.661 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.826 -8.044 -0.727 1.00 0.00 C ATOM 0 H VAL A 68 -6.285 -6.789 -0.051 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.090 -7.783 1.617 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.656 -6.080 -0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.322 -5.875 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.470 -5.108 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.763 -6.693 1.468 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.006 -7.823 -1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.486 -8.750 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.655 -8.481 -1.284 1.00 0.00 H new ATOM 1056 N LYS A 69 -4.147 -5.622 2.855 1.00 0.00 N ATOM 1057 CA LYS A 69 -4.415 -4.495 3.733 1.00 0.00 C ATOM 1058 C LYS A 69 -3.409 -3.379 3.445 1.00 0.00 C ATOM 1059 O LYS A 69 -2.228 -3.644 3.226 1.00 0.00 O ATOM 1060 CB LYS A 69 -4.429 -4.947 5.195 1.00 0.00 C ATOM 1061 CG LYS A 69 -5.828 -4.805 5.799 1.00 0.00 C ATOM 1062 CD LYS A 69 -5.751 -4.541 7.304 1.00 0.00 C ATOM 1063 CE LYS A 69 -7.010 -5.044 8.014 1.00 0.00 C ATOM 1064 NZ LYS A 69 -6.700 -6.235 8.836 1.00 0.00 N ATOM 0 H LYS A 69 -3.402 -6.243 3.172 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.407 -4.088 3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.104 -5.985 5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.719 -4.353 5.770 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.358 -3.988 5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.402 -5.713 5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.873 -5.036 7.719 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.630 -3.473 7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.418 -4.255 8.646 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.775 -5.292 7.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.565 -6.564 9.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.331 -6.992 8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.986 -5.988 9.550 1.00 0.00 H new ATOM 1078 N VAL A 70 -3.914 -2.154 3.453 1.00 0.00 N ATOM 1079 CA VAL A 70 -3.075 -0.997 3.195 1.00 0.00 C ATOM 1080 C VAL A 70 -3.470 0.136 4.144 1.00 0.00 C ATOM 1081 O VAL A 70 -4.650 0.321 4.439 1.00 0.00 O ATOM 1082 CB VAL A 70 -3.169 -0.601 1.720 1.00 0.00 C ATOM 1083 CG1 VAL A 70 -2.700 0.840 1.508 1.00 0.00 C ATOM 1084 CG2 VAL A 70 -2.376 -1.570 0.840 1.00 0.00 C ATOM 0 H VAL A 70 -4.894 -1.938 3.634 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.029 -1.233 3.389 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.216 -0.660 1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.777 1.096 0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.325 1.516 2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.663 0.936 1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.460 -1.266 -0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.328 -1.558 1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.775 -2.578 0.957 1.00 0.00 H new ATOM 1094 N VAL A 71 -2.460 0.865 4.596 1.00 0.00 N ATOM 1095 CA VAL A 71 -2.687 1.975 5.506 1.00 0.00 C ATOM 1096 C VAL A 71 -1.677 3.086 5.211 1.00 0.00 C ATOM 1097 O VAL A 71 -0.611 2.828 4.653 1.00 0.00 O ATOM 1098 CB VAL A 71 -2.631 1.485 6.954 1.00 0.00 C ATOM 1099 CG1 VAL A 71 -3.130 0.043 7.064 1.00 0.00 C ATOM 1100 CG2 VAL A 71 -1.217 1.621 7.524 1.00 0.00 C ATOM 0 H VAL A 71 -1.483 0.709 4.349 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.683 2.393 5.357 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.294 2.115 7.547 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.080 -0.281 8.104 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.161 -0.013 6.716 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.505 -0.606 6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.204 1.266 8.554 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.525 1.027 6.927 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.913 2.667 7.497 1.00 0.00 H new ATOM 1110 N ILE A 72 -2.047 4.297 5.600 1.00 0.00 N ATOM 1111 CA ILE A 72 -1.186 5.448 5.384 1.00 0.00 C ATOM 1112 C ILE A 72 -1.281 6.384 6.590 1.00 0.00 C ATOM 1113 O ILE A 72 -2.367 6.608 7.122 1.00 0.00 O ATOM 1114 CB ILE A 72 -1.520 6.125 4.053 1.00 0.00 C ATOM 1115 CG1 ILE A 72 -1.402 5.137 2.890 1.00 0.00 C ATOM 1116 CG2 ILE A 72 -0.656 7.368 3.838 1.00 0.00 C ATOM 1117 CD1 ILE A 72 -2.766 4.543 2.534 1.00 0.00 C ATOM 0 H ILE A 72 -2.931 4.507 6.063 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.145 5.135 5.304 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.558 6.457 4.090 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.983 5.643 2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.711 4.337 3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.914 7.830 2.885 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.833 8.079 4.645 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.396 7.083 3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.653 3.845 1.705 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.171 4.017 3.399 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.447 5.343 2.244 1.00 0.00 H new ATOM 1129 N ASP A 73 -0.129 6.904 6.987 1.00 0.00 N ATOM 1130 CA ASP A 73 -0.069 7.810 8.121 1.00 0.00 C ATOM 1131 C ASP A 73 -0.931 9.041 7.832 1.00 0.00 C ATOM 1132 O ASP A 73 -1.243 9.326 6.677 1.00 0.00 O ATOM 1133 CB ASP A 73 1.364 8.285 8.371 1.00 0.00 C ATOM 1134 CG ASP A 73 2.271 7.267 9.067 1.00 0.00 C ATOM 1135 OD1 ASP A 73 1.787 6.648 10.039 1.00 0.00 O ATOM 1136 OD2 ASP A 73 3.426 7.132 8.610 1.00 0.00 O ATOM 0 H ASP A 73 0.770 6.715 6.544 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.431 7.275 8.999 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.813 8.555 7.415 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.330 9.192 8.975 1.00 0.00 H new ATOM 1141 N PRO A 74 -1.300 9.755 8.929 1.00 0.00 N ATOM 1142 CA PRO A 74 -2.119 10.948 8.804 1.00 0.00 C ATOM 1143 C PRO A 74 -1.298 12.124 8.272 1.00 0.00 C ATOM 1144 O PRO A 74 -1.852 13.071 7.714 1.00 0.00 O ATOM 1145 CB PRO A 74 -2.673 11.193 10.198 1.00 0.00 C ATOM 1146 CG PRO A 74 -1.779 10.408 11.145 1.00 0.00 C ATOM 1147 CD PRO A 74 -0.948 9.447 10.312 1.00 0.00 C ATOM 0 HA PRO A 74 -2.928 10.829 8.083 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.662 12.255 10.441 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.708 10.859 10.271 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.133 11.082 11.707 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.380 9.862 11.872 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.118 9.588 10.490 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.177 8.410 10.557 1.00 0.00 H new ATOM 1155 N PHE A 75 0.009 12.026 8.463 1.00 0.00 N ATOM 1156 CA PHE A 75 0.912 13.070 8.009 1.00 0.00 C ATOM 1157 C PHE A 75 1.266 12.886 6.532 1.00 0.00 C ATOM 1158 O PHE A 75 1.658 13.838 5.860 1.00 0.00 O ATOM 1159 CB PHE A 75 2.188 12.953 8.845 1.00 0.00 C ATOM 1160 CG PHE A 75 2.397 14.107 9.827 1.00 0.00 C ATOM 1161 CD1 PHE A 75 2.331 15.393 9.389 1.00 0.00 C ATOM 1162 CD2 PHE A 75 2.649 13.848 11.138 1.00 0.00 C ATOM 1163 CE1 PHE A 75 2.525 16.465 10.300 1.00 0.00 C ATOM 1164 CE2 PHE A 75 2.843 14.919 12.050 1.00 0.00 C ATOM 1165 CZ PHE A 75 2.777 16.205 11.611 1.00 0.00 C ATOM 0 H PHE A 75 0.465 11.240 8.926 1.00 0.00 H new ATOM 0 HA PHE A 75 0.439 14.045 8.123 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.161 12.016 9.402 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.046 12.900 8.174 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.131 15.599 8.348 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.702 12.827 11.486 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.472 17.486 9.952 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.043 14.713 13.091 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.925 17.020 12.304 1.00 0.00 H new ATOM 1175 N SER A 76 1.115 11.653 6.070 1.00 0.00 N ATOM 1176 CA SER A 76 1.413 11.331 4.685 1.00 0.00 C ATOM 1177 C SER A 76 0.168 11.536 3.820 1.00 0.00 C ATOM 1178 O SER A 76 0.267 11.644 2.599 1.00 0.00 O ATOM 1179 CB SER A 76 1.922 9.894 4.551 1.00 0.00 C ATOM 1180 OG SER A 76 1.096 8.968 5.251 1.00 0.00 O ATOM 0 H SER A 76 0.790 10.865 6.631 1.00 0.00 H new ATOM 0 HA SER A 76 2.201 12.001 4.340 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.961 9.620 3.497 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.941 9.833 4.934 1.00 0.00 H new ATOM 0 HG SER A 76 0.260 9.408 5.512 1.00 0.00 H new ATOM 1186 N MET A 77 -0.975 11.584 4.487 1.00 0.00 N ATOM 1187 CA MET A 77 -2.238 11.775 3.795 1.00 0.00 C ATOM 1188 C MET A 77 -2.212 13.048 2.947 1.00 0.00 C ATOM 1189 O MET A 77 -2.571 13.023 1.771 1.00 0.00 O ATOM 1190 CB MET A 77 -3.373 11.865 4.817 1.00 0.00 C ATOM 1191 CG MET A 77 -4.556 10.988 4.401 1.00 0.00 C ATOM 1192 SD MET A 77 -5.470 11.779 3.088 1.00 0.00 S ATOM 1193 CE MET A 77 -5.169 10.623 1.761 1.00 0.00 C ATOM 0 H MET A 77 -1.053 11.494 5.500 1.00 0.00 H new ATOM 0 HA MET A 77 -2.400 10.924 3.134 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.011 11.553 5.796 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.699 12.901 4.913 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.198 10.013 4.070 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.209 10.814 5.256 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.672 10.967 0.858 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.097 10.554 1.575 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.553 9.642 2.039 1.00 0.00 H new ATOM 1203 N PRO A 78 -1.773 14.161 3.595 1.00 0.00 N ATOM 1204 CA PRO A 78 -1.695 15.442 2.913 1.00 0.00 C ATOM 1205 C PRO A 78 -0.501 15.483 1.958 1.00 0.00 C ATOM 1206 O PRO A 78 -0.236 16.509 1.333 1.00 0.00 O ATOM 1207 CB PRO A 78 -1.603 16.474 4.025 1.00 0.00 C ATOM 1208 CG PRO A 78 -1.164 15.712 5.266 1.00 0.00 C ATOM 1209 CD PRO A 78 -1.339 14.228 4.987 1.00 0.00 C ATOM 0 HA PRO A 78 -2.561 15.635 2.279 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.887 17.256 3.773 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.564 16.962 4.186 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.124 15.936 5.504 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.760 16.011 6.128 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.406 13.684 5.138 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.078 13.784 5.654 1.00 0.00 H new ATOM 1217 N TYR A 79 0.189 14.355 1.875 1.00 0.00 N ATOM 1218 CA TYR A 79 1.349 14.250 1.006 1.00 0.00 C ATOM 1219 C TYR A 79 0.998 13.520 -0.292 1.00 0.00 C ATOM 1220 O TYR A 79 1.434 13.919 -1.370 1.00 0.00 O ATOM 1221 CB TYR A 79 2.381 13.425 1.779 1.00 0.00 C ATOM 1222 CG TYR A 79 3.740 14.111 1.929 1.00 0.00 C ATOM 1223 CD1 TYR A 79 4.388 14.611 0.818 1.00 0.00 C ATOM 1224 CD2 TYR A 79 4.319 14.230 3.177 1.00 0.00 C ATOM 1225 CE1 TYR A 79 5.667 15.256 0.959 1.00 0.00 C ATOM 1226 CE2 TYR A 79 5.598 14.875 3.318 1.00 0.00 C ATOM 1227 CZ TYR A 79 6.209 15.356 2.203 1.00 0.00 C ATOM 1228 OH TYR A 79 7.417 15.966 2.337 1.00 0.00 O ATOM 0 H TYR A 79 -0.033 13.506 2.395 1.00 0.00 H new ATOM 0 HA TYR A 79 1.720 15.240 0.739 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.986 13.204 2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.521 12.470 1.272 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.935 14.518 -0.158 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.812 13.839 4.047 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.184 15.651 0.097 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.062 14.975 4.288 1.00 0.00 H new ATOM 0 HH TYR A 79 7.680 15.966 3.281 1.00 0.00 H new ATOM 1238 N VAL A 80 0.213 12.463 -0.145 1.00 0.00 N ATOM 1239 CA VAL A 80 -0.201 11.673 -1.292 1.00 0.00 C ATOM 1240 C VAL A 80 -1.729 11.609 -1.336 1.00 0.00 C ATOM 1241 O VAL A 80 -2.306 10.529 -1.453 1.00 0.00 O ATOM 1242 CB VAL A 80 0.454 10.291 -1.240 1.00 0.00 C ATOM 1243 CG1 VAL A 80 1.971 10.409 -1.078 1.00 0.00 C ATOM 1244 CG2 VAL A 80 -0.153 9.438 -0.124 1.00 0.00 C ATOM 0 H VAL A 80 -0.147 12.135 0.751 1.00 0.00 H new ATOM 0 HA VAL A 80 0.132 12.141 -2.218 1.00 0.00 H new ATOM 0 HB VAL A 80 0.257 9.791 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.412 9.413 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.385 10.960 -1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.198 10.938 -0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.330 8.461 -0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.001 9.933 0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.221 9.312 -0.302 1.00 0.00 H new ATOM 1254 N ASN A 81 -2.342 12.780 -1.240 1.00 0.00 N ATOM 1255 CA ASN A 81 -3.792 12.871 -1.268 1.00 0.00 C ATOM 1256 C ASN A 81 -4.257 13.092 -2.708 1.00 0.00 C ATOM 1257 O ASN A 81 -3.728 13.953 -3.410 1.00 0.00 O ATOM 1258 CB ASN A 81 -4.286 14.048 -0.425 1.00 0.00 C ATOM 1259 CG ASN A 81 -3.424 15.291 -0.659 1.00 0.00 C ATOM 1260 OD1 ASN A 81 -2.362 15.459 -0.082 1.00 0.00 O ATOM 1261 ND2 ASN A 81 -3.938 16.148 -1.536 1.00 0.00 N ATOM 0 H ASN A 81 -1.861 13.674 -1.143 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.196 11.943 -0.863 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.324 14.269 -0.675 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.263 13.779 0.631 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.438 17.008 -1.762 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.832 15.945 -1.983 1.00 0.00 H new ATOM 1268 N GLY A 82 -5.242 12.301 -3.107 1.00 0.00 N ATOM 1269 CA GLY A 82 -5.785 12.400 -4.451 1.00 0.00 C ATOM 1270 C GLY A 82 -4.667 12.391 -5.495 1.00 0.00 C ATOM 1271 O GLY A 82 -4.494 13.361 -6.232 1.00 0.00 O ATOM 0 H GLY A 82 -5.678 11.588 -2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.466 11.569 -4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.368 13.316 -4.545 1.00 0.00 H new ATOM 1275 N ALA A 83 -3.937 11.286 -5.526 1.00 0.00 N ATOM 1276 CA ALA A 83 -2.841 11.138 -6.468 1.00 0.00 C ATOM 1277 C ALA A 83 -2.623 9.653 -6.761 1.00 0.00 C ATOM 1278 O ALA A 83 -3.339 8.801 -6.237 1.00 0.00 O ATOM 1279 CB ALA A 83 -1.588 11.811 -5.903 1.00 0.00 C ATOM 0 H ALA A 83 -4.083 10.484 -4.913 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.077 11.629 -7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.765 11.700 -6.610 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.786 12.870 -5.740 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.319 11.342 -4.956 1.00 0.00 H new ATOM 1285 N GLU A 84 -1.631 9.387 -7.599 1.00 0.00 N ATOM 1286 CA GLU A 84 -1.310 8.019 -7.969 1.00 0.00 C ATOM 1287 C GLU A 84 0.205 7.806 -7.947 1.00 0.00 C ATOM 1288 O GLU A 84 0.971 8.749 -8.137 1.00 0.00 O ATOM 1289 CB GLU A 84 -1.894 7.670 -9.339 1.00 0.00 C ATOM 1290 CG GLU A 84 -1.275 8.538 -10.436 1.00 0.00 C ATOM 1291 CD GLU A 84 -2.323 8.937 -11.477 1.00 0.00 C ATOM 1292 OE1 GLU A 84 -2.779 8.025 -12.201 1.00 0.00 O ATOM 1293 OE2 GLU A 84 -2.644 10.144 -11.526 1.00 0.00 O ATOM 0 H GLU A 84 -1.039 10.096 -8.032 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.762 7.349 -7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.713 6.618 -9.558 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.975 7.812 -9.324 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.838 9.433 -9.993 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.464 7.994 -10.921 1.00 0.00 H new ATOM 1300 N LEU A 85 0.592 6.560 -7.716 1.00 0.00 N ATOM 1301 CA LEU A 85 2.001 6.210 -7.667 1.00 0.00 C ATOM 1302 C LEU A 85 2.226 4.908 -8.438 1.00 0.00 C ATOM 1303 O LEU A 85 1.672 3.868 -8.082 1.00 0.00 O ATOM 1304 CB LEU A 85 2.491 6.160 -6.219 1.00 0.00 C ATOM 1305 CG LEU A 85 3.228 4.885 -5.804 1.00 0.00 C ATOM 1306 CD1 LEU A 85 4.589 4.788 -6.495 1.00 0.00 C ATOM 1307 CD2 LEU A 85 3.351 4.793 -4.281 1.00 0.00 C ATOM 0 H LEU A 85 -0.047 5.780 -7.561 1.00 0.00 H new ATOM 0 HA LEU A 85 2.601 6.978 -8.155 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.153 7.010 -6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.632 6.290 -5.561 1.00 0.00 H new ATOM 0 HG LEU A 85 2.639 4.029 -6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.091 3.873 -6.182 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.448 4.774 -7.576 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.199 5.649 -6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.879 3.878 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.906 5.654 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.356 4.782 -3.836 1.00 0.00 H new ATOM 1319 N ASP A 86 3.039 5.006 -9.479 1.00 0.00 N ATOM 1320 CA ASP A 86 3.344 3.849 -10.303 1.00 0.00 C ATOM 1321 C ASP A 86 4.657 3.223 -9.829 1.00 0.00 C ATOM 1322 O ASP A 86 5.721 3.822 -9.970 1.00 0.00 O ATOM 1323 CB ASP A 86 3.512 4.247 -11.771 1.00 0.00 C ATOM 1324 CG ASP A 86 2.731 5.491 -12.197 1.00 0.00 C ATOM 1325 OD1 ASP A 86 2.841 6.506 -11.475 1.00 0.00 O ATOM 1326 OD2 ASP A 86 2.042 5.400 -13.236 1.00 0.00 O ATOM 0 H ASP A 86 3.496 5.870 -9.771 1.00 0.00 H new ATOM 0 HA ASP A 86 2.518 3.144 -10.213 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.571 4.416 -11.967 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.202 3.410 -12.397 1.00 0.00 H new ATOM 1331 N TYR A 87 4.538 2.024 -9.277 1.00 0.00 N ATOM 1332 CA TYR A 87 5.702 1.310 -8.782 1.00 0.00 C ATOM 1333 C TYR A 87 6.380 0.520 -9.904 1.00 0.00 C ATOM 1334 O TYR A 87 5.741 -0.295 -10.567 1.00 0.00 O ATOM 1335 CB TYR A 87 5.180 0.330 -7.729 1.00 0.00 C ATOM 1336 CG TYR A 87 6.278 -0.325 -6.889 1.00 0.00 C ATOM 1337 CD1 TYR A 87 6.977 -1.405 -7.388 1.00 0.00 C ATOM 1338 CD2 TYR A 87 6.570 0.165 -5.632 1.00 0.00 C ATOM 1339 CE1 TYR A 87 8.010 -2.022 -6.598 1.00 0.00 C ATOM 1340 CE2 TYR A 87 7.604 -0.452 -4.841 1.00 0.00 C ATOM 1341 CZ TYR A 87 8.273 -1.515 -5.363 1.00 0.00 C ATOM 1342 OH TYR A 87 9.249 -2.097 -4.616 1.00 0.00 O ATOM 0 H TYR A 87 3.653 1.530 -9.162 1.00 0.00 H new ATOM 0 HA TYR A 87 6.436 2.007 -8.377 1.00 0.00 H new ATOM 0 HB2 TYR A 87 4.495 0.857 -7.065 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.604 -0.450 -8.227 1.00 0.00 H new ATOM 0 HD1 TYR A 87 6.749 -1.788 -8.372 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.023 1.011 -5.242 1.00 0.00 H new ATOM 0 HE1 TYR A 87 8.564 -2.868 -6.977 1.00 0.00 H new ATOM 0 HE2 TYR A 87 7.843 -0.079 -3.856 1.00 0.00 H new ATOM 0 HH TYR A 87 9.327 -1.629 -3.758 1.00 0.00 H new ATOM 1352 N VAL A 88 7.665 0.791 -10.082 1.00 0.00 N ATOM 1353 CA VAL A 88 8.436 0.116 -11.112 1.00 0.00 C ATOM 1354 C VAL A 88 9.179 -1.069 -10.493 1.00 0.00 C ATOM 1355 O VAL A 88 9.595 -1.010 -9.336 1.00 0.00 O ATOM 1356 CB VAL A 88 9.369 1.112 -11.804 1.00 0.00 C ATOM 1357 CG1 VAL A 88 10.362 0.390 -12.717 1.00 0.00 C ATOM 1358 CG2 VAL A 88 8.571 2.161 -12.582 1.00 0.00 C ATOM 0 H VAL A 88 8.191 1.469 -9.530 1.00 0.00 H new ATOM 0 HA VAL A 88 7.777 -0.282 -11.884 1.00 0.00 H new ATOM 0 HB VAL A 88 9.939 1.629 -11.032 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.013 1.121 -13.196 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.964 -0.300 -12.126 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.817 -0.166 -13.480 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.258 2.857 -13.064 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.963 1.667 -13.340 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.923 2.707 -11.897 1.00 0.00 H new ATOM 1368 N VAL A 89 9.325 -2.117 -11.290 1.00 0.00 N ATOM 1369 CA VAL A 89 10.011 -3.314 -10.834 1.00 0.00 C ATOM 1370 C VAL A 89 11.093 -3.693 -11.848 1.00 0.00 C ATOM 1371 O VAL A 89 10.785 -4.100 -12.967 1.00 0.00 O ATOM 1372 CB VAL A 89 9.001 -4.436 -10.591 1.00 0.00 C ATOM 1373 CG1 VAL A 89 9.659 -5.623 -9.884 1.00 0.00 C ATOM 1374 CG2 VAL A 89 7.795 -3.926 -9.799 1.00 0.00 C ATOM 0 H VAL A 89 8.980 -2.162 -12.249 1.00 0.00 H new ATOM 0 HA VAL A 89 10.507 -3.130 -9.881 1.00 0.00 H new ATOM 0 HB VAL A 89 8.643 -4.781 -11.561 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.919 -6.407 -9.723 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.469 -6.010 -10.501 1.00 0.00 H new ATOM 0 HG13 VAL A 89 10.058 -5.298 -8.923 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.092 -4.744 -9.640 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.129 -3.542 -8.835 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.304 -3.129 -10.357 1.00 0.00 H new ATOM 1384 N ASP A 90 12.338 -3.546 -11.419 1.00 0.00 N ATOM 1385 CA ASP A 90 13.467 -3.867 -12.275 1.00 0.00 C ATOM 1386 C ASP A 90 14.738 -3.949 -11.427 1.00 0.00 C ATOM 1387 O ASP A 90 14.683 -4.315 -10.254 1.00 0.00 O ATOM 1388 CB ASP A 90 13.677 -2.788 -13.339 1.00 0.00 C ATOM 1389 CG ASP A 90 14.177 -3.301 -14.691 1.00 0.00 C ATOM 1390 OD1 ASP A 90 14.298 -4.539 -14.819 1.00 0.00 O ATOM 1391 OD2 ASP A 90 14.428 -2.445 -15.566 1.00 0.00 O ATOM 0 H ASP A 90 12.590 -3.209 -10.490 1.00 0.00 H new ATOM 0 HA ASP A 90 13.259 -4.819 -12.764 1.00 0.00 H new ATOM 0 HB2 ASP A 90 12.734 -2.263 -13.493 1.00 0.00 H new ATOM 0 HB3 ASP A 90 14.391 -2.058 -12.958 1.00 0.00 H new ATOM 1396 N PHE A 91 15.852 -3.600 -12.053 1.00 0.00 N ATOM 1397 CA PHE A 91 17.135 -3.629 -11.370 1.00 0.00 C ATOM 1398 C PHE A 91 17.109 -2.752 -10.117 1.00 0.00 C ATOM 1399 O PHE A 91 17.991 -2.853 -9.266 1.00 0.00 O ATOM 1400 CB PHE A 91 18.174 -3.073 -12.346 1.00 0.00 C ATOM 1401 CG PHE A 91 19.573 -3.668 -12.172 1.00 0.00 C ATOM 1402 CD1 PHE A 91 19.742 -5.017 -12.165 1.00 0.00 C ATOM 1403 CD2 PHE A 91 20.647 -2.847 -12.023 1.00 0.00 C ATOM 1404 CE1 PHE A 91 21.040 -5.569 -12.003 1.00 0.00 C ATOM 1405 CE2 PHE A 91 21.945 -3.399 -11.861 1.00 0.00 C ATOM 1406 CZ PHE A 91 22.114 -4.748 -11.854 1.00 0.00 C ATOM 0 H PHE A 91 15.893 -3.296 -13.026 1.00 0.00 H new ATOM 0 HA PHE A 91 17.370 -4.648 -11.063 1.00 0.00 H new ATOM 0 HB2 PHE A 91 17.836 -3.259 -13.365 1.00 0.00 H new ATOM 0 HB3 PHE A 91 18.232 -1.992 -12.221 1.00 0.00 H new ATOM 0 HD1 PHE A 91 18.889 -5.669 -12.283 1.00 0.00 H new ATOM 0 HD2 PHE A 91 20.513 -1.775 -12.028 1.00 0.00 H new ATOM 0 HE1 PHE A 91 21.174 -6.641 -11.998 1.00 0.00 H new ATOM 0 HE2 PHE A 91 22.798 -2.747 -11.743 1.00 0.00 H new ATOM 0 HZ PHE A 91 23.101 -5.168 -11.730 1.00 0.00 H new ATOM 1416 N MET A 92 16.087 -1.911 -10.044 1.00 0.00 N ATOM 1417 CA MET A 92 15.935 -1.016 -8.909 1.00 0.00 C ATOM 1418 C MET A 92 15.316 -1.746 -7.715 1.00 0.00 C ATOM 1419 O MET A 92 15.061 -1.139 -6.676 1.00 0.00 O ATOM 1420 CB MET A 92 15.043 0.163 -9.304 1.00 0.00 C ATOM 1421 CG MET A 92 15.664 1.490 -8.866 1.00 0.00 C ATOM 1422 SD MET A 92 14.737 2.853 -9.550 1.00 0.00 S ATOM 1423 CE MET A 92 15.021 4.085 -8.290 1.00 0.00 C ATOM 0 H MET A 92 15.357 -1.831 -10.752 1.00 0.00 H new ATOM 0 HA MET A 92 16.922 -0.656 -8.620 1.00 0.00 H new ATOM 0 HB2 MET A 92 14.894 0.166 -10.384 1.00 0.00 H new ATOM 0 HB3 MET A 92 14.060 0.049 -8.847 1.00 0.00 H new ATOM 0 HG2 MET A 92 15.673 1.555 -7.778 1.00 0.00 H new ATOM 0 HG3 MET A 92 16.701 1.542 -9.197 1.00 0.00 H new ATOM 0 HE1 MET A 92 14.508 5.008 -8.561 1.00 0.00 H new ATOM 0 HE2 MET A 92 14.638 3.724 -7.335 1.00 0.00 H new ATOM 0 HE3 MET A 92 16.090 4.277 -8.203 1.00 0.00 H new ATOM 1433 N GLY A 93 15.094 -3.039 -7.903 1.00 0.00 N ATOM 1434 CA GLY A 93 14.511 -3.858 -6.854 1.00 0.00 C ATOM 1435 C GLY A 93 13.151 -3.307 -6.421 1.00 0.00 C ATOM 1436 O GLY A 93 12.634 -3.677 -5.367 1.00 0.00 O ATOM 0 H GLY A 93 15.307 -3.539 -8.766 1.00 0.00 H new ATOM 0 HA2 GLY A 93 14.396 -4.882 -7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.184 -3.891 -5.997 1.00 0.00 H new ATOM 1440 N GLY A 94 12.609 -2.432 -7.255 1.00 0.00 N ATOM 1441 CA GLY A 94 11.319 -1.826 -6.971 1.00 0.00 C ATOM 1442 C GLY A 94 11.428 -0.300 -6.929 1.00 0.00 C ATOM 1443 O GLY A 94 11.599 0.284 -5.861 1.00 0.00 O ATOM 0 H GLY A 94 13.040 -2.128 -8.128 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.598 -2.122 -7.733 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.943 -2.194 -6.017 1.00 0.00 H new ATOM 1447 N GLY A 95 11.323 0.301 -8.105 1.00 0.00 N ATOM 1448 CA GLY A 95 11.406 1.747 -8.216 1.00 0.00 C ATOM 1449 C GLY A 95 10.070 2.403 -7.863 1.00 0.00 C ATOM 1450 O GLY A 95 9.045 2.098 -8.471 1.00 0.00 O ATOM 0 H GLY A 95 11.181 -0.187 -8.989 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.185 2.122 -7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.693 2.021 -9.231 1.00 0.00 H new ATOM 1454 N PHE A 96 10.124 3.291 -6.881 1.00 0.00 N ATOM 1455 CA PHE A 96 8.930 3.992 -6.440 1.00 0.00 C ATOM 1456 C PHE A 96 8.778 5.329 -7.169 1.00 0.00 C ATOM 1457 O PHE A 96 9.593 6.233 -6.991 1.00 0.00 O ATOM 1458 CB PHE A 96 9.095 4.257 -4.942 1.00 0.00 C ATOM 1459 CG PHE A 96 10.067 3.304 -4.245 1.00 0.00 C ATOM 1460 CD1 PHE A 96 9.664 2.050 -3.905 1.00 0.00 C ATOM 1461 CD2 PHE A 96 11.335 3.710 -3.965 1.00 0.00 C ATOM 1462 CE1 PHE A 96 10.566 1.165 -3.257 1.00 0.00 C ATOM 1463 CE2 PHE A 96 12.237 2.825 -3.318 1.00 0.00 C ATOM 1464 CZ PHE A 96 11.834 1.571 -2.978 1.00 0.00 C ATOM 0 H PHE A 96 10.976 3.541 -6.378 1.00 0.00 H new ATOM 0 HA PHE A 96 8.046 3.391 -6.652 1.00 0.00 H new ATOM 0 HB2 PHE A 96 9.442 5.281 -4.801 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.120 4.181 -4.461 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.658 1.727 -4.128 1.00 0.00 H new ATOM 0 HD2 PHE A 96 11.655 4.705 -4.235 1.00 0.00 H new ATOM 0 HE1 PHE A 96 10.245 0.170 -2.986 1.00 0.00 H new ATOM 0 HE2 PHE A 96 13.243 3.147 -3.096 1.00 0.00 H new ATOM 0 HZ PHE A 96 12.521 0.898 -2.487 1.00 0.00 H new ATOM 1474 N THR A 97 7.729 5.411 -7.974 1.00 0.00 N ATOM 1475 CA THR A 97 7.460 6.622 -8.730 1.00 0.00 C ATOM 1476 C THR A 97 6.063 7.156 -8.404 1.00 0.00 C ATOM 1477 O THR A 97 5.077 6.428 -8.508 1.00 0.00 O ATOM 1478 CB THR A 97 7.657 6.306 -10.214 1.00 0.00 C ATOM 1479 OG1 THR A 97 9.073 6.276 -10.377 1.00 0.00 O ATOM 1480 CG2 THR A 97 7.203 7.451 -11.122 1.00 0.00 C ATOM 0 H THR A 97 7.056 4.659 -8.119 1.00 0.00 H new ATOM 0 HA THR A 97 8.151 7.420 -8.457 1.00 0.00 H new ATOM 0 HB THR A 97 7.106 5.400 -10.468 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.291 6.076 -11.311 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.365 7.175 -12.164 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.143 7.647 -10.959 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.777 8.348 -10.891 1.00 0.00 H new ATOM 1488 N ILE A 98 6.025 8.422 -8.015 1.00 0.00 N ATOM 1489 CA ILE A 98 4.766 9.061 -7.672 1.00 0.00 C ATOM 1490 C ILE A 98 4.419 10.100 -8.741 1.00 0.00 C ATOM 1491 O ILE A 98 5.246 10.944 -9.083 1.00 0.00 O ATOM 1492 CB ILE A 98 4.824 9.633 -6.255 1.00 0.00 C ATOM 1493 CG1 ILE A 98 3.507 10.320 -5.886 1.00 0.00 C ATOM 1494 CG2 ILE A 98 6.024 10.568 -6.089 1.00 0.00 C ATOM 1495 CD1 ILE A 98 2.647 9.416 -4.999 1.00 0.00 C ATOM 0 H ILE A 98 6.845 9.022 -7.930 1.00 0.00 H new ATOM 0 HA ILE A 98 3.958 8.330 -7.663 1.00 0.00 H new ATOM 0 HB ILE A 98 4.962 8.806 -5.559 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.714 11.255 -5.366 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.958 10.574 -6.793 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.041 10.961 -5.072 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.944 10.016 -6.281 1.00 0.00 H new ATOM 0 HG23 ILE A 98 5.942 11.394 -6.796 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.717 9.928 -4.751 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.422 8.492 -5.531 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.189 9.184 -4.082 1.00 0.00 H new ATOM 1507 N ARG A 99 3.195 10.005 -9.238 1.00 0.00 N ATOM 1508 CA ARG A 99 2.728 10.926 -10.260 1.00 0.00 C ATOM 1509 C ARG A 99 1.763 11.947 -9.654 1.00 0.00 C ATOM 1510 O ARG A 99 0.889 11.589 -8.866 1.00 0.00 O ATOM 1511 CB ARG A 99 2.024 10.179 -11.395 1.00 0.00 C ATOM 1512 CG ARG A 99 3.004 9.843 -12.521 1.00 0.00 C ATOM 1513 CD ARG A 99 2.455 8.724 -13.409 1.00 0.00 C ATOM 1514 NE ARG A 99 2.537 9.122 -14.832 1.00 0.00 N ATOM 1515 CZ ARG A 99 3.676 9.449 -15.456 1.00 0.00 C ATOM 1516 NH1 ARG A 99 4.837 9.428 -14.787 1.00 0.00 N ATOM 1517 NH2 ARG A 99 3.655 9.797 -16.750 1.00 0.00 N ATOM 0 H ARG A 99 2.512 9.304 -8.952 1.00 0.00 H new ATOM 0 HA ARG A 99 3.599 11.441 -10.665 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.578 9.262 -11.010 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.210 10.789 -11.787 1.00 0.00 H new ATOM 0 HG2 ARG A 99 3.190 10.732 -13.123 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.961 9.539 -12.097 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.022 7.807 -13.246 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.420 8.511 -13.141 1.00 0.00 H new ATOM 0 HE ARG A 99 1.672 9.149 -15.371 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.853 9.163 -13.802 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.704 9.677 -15.263 1.00 0.00 H new ATOM 0 HH21 ARG A 99 2.772 9.813 -17.260 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.522 10.046 -17.225 1.00 0.00 H new ATOM 1531 N ASN A 100 1.953 13.198 -10.046 1.00 0.00 N ATOM 1532 CA ASN A 100 1.110 14.274 -9.552 1.00 0.00 C ATOM 1533 C ASN A 100 0.583 15.088 -10.735 1.00 0.00 C ATOM 1534 O ASN A 100 1.357 15.526 -11.585 1.00 0.00 O ATOM 1535 CB ASN A 100 1.899 15.218 -8.642 1.00 0.00 C ATOM 1536 CG ASN A 100 0.969 16.218 -7.952 1.00 0.00 C ATOM 1537 OD1 ASN A 100 0.394 17.099 -8.571 1.00 0.00 O ATOM 1538 ND2 ASN A 100 0.854 16.035 -6.640 1.00 0.00 N ATOM 0 H ASN A 100 2.679 13.491 -10.700 1.00 0.00 H new ATOM 0 HA ASN A 100 0.291 13.829 -8.987 1.00 0.00 H new ATOM 0 HB2 ASN A 100 2.438 14.640 -7.892 1.00 0.00 H new ATOM 0 HB3 ASN A 100 2.645 15.754 -9.228 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.257 16.652 -6.089 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.363 15.278 -6.184 1.00 0.00 H new ATOM 1545 N PRO A 101 -0.764 15.272 -10.752 1.00 0.00 N ATOM 1546 CA PRO A 101 -1.403 16.026 -11.817 1.00 0.00 C ATOM 1547 C PRO A 101 -1.166 17.528 -11.644 1.00 0.00 C ATOM 1548 O PRO A 101 -2.116 18.303 -11.551 1.00 0.00 O ATOM 1549 CB PRO A 101 -2.873 15.644 -11.742 1.00 0.00 C ATOM 1550 CG PRO A 101 -3.080 15.056 -10.355 1.00 0.00 C ATOM 1551 CD PRO A 101 -1.711 14.768 -9.761 1.00 0.00 C ATOM 0 HA PRO A 101 -0.994 15.794 -12.800 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -3.511 16.514 -11.897 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -3.128 14.920 -12.516 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -3.631 15.753 -9.723 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.671 14.142 -10.412 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.583 15.268 -8.801 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.571 13.701 -9.586 1.00 0.00 H new TER 1559 PRO A 101