USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 655 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 8 GLN : amide:sc= -0.487 K(o=-0.043,f=-4.3!) USER MOD Set 1.2: A 11 GLN : amide:sc= 0.444 K(o=-0.043,f=-5.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= -0.0601 (180deg=-0.502) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 18 THR OG1 : rot 141:sc= 1.11 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.0134 F(o=-1.3,f=-0.013) USER MOD Single : A 31 THR OG1 : rot -150:sc= -2.88! USER MOD Single : A 38 GLN : amide:sc= -8.63! C(o=-8.6!,f=-16!) USER MOD Single : A 42 GLN : amide:sc= -0.0304 X(o=-0.03,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -1.4 K(o=-1.4,f=-2.7!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -100:sc= -1.54! USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.143) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -116:sc= -0.419 (180deg=-1.83) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.877 27.168 -12.738 1.00 0.00 N ATOM 2 CA MET A 1 -6.127 27.136 -11.273 1.00 0.00 C ATOM 3 C MET A 1 -7.564 27.531 -10.949 1.00 0.00 C ATOM 4 O MET A 1 -8.090 28.501 -11.494 1.00 0.00 O ATOM 5 CB MET A 1 -5.149 28.097 -10.591 1.00 0.00 C ATOM 6 CG MET A 1 -5.378 29.556 -10.952 1.00 0.00 C ATOM 7 SD MET A 1 -6.373 30.428 -9.726 1.00 0.00 S ATOM 8 CE MET A 1 -6.807 31.911 -10.633 1.00 0.00 C ATOM 0 H1 MET A 1 -4.869 27.352 -12.914 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.140 26.252 -13.155 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.447 27.922 -13.171 1.00 0.00 H new ATOM 0 HA MET A 1 -5.976 26.121 -10.907 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.233 27.981 -9.510 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.131 27.820 -10.863 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.415 30.056 -11.055 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.872 29.613 -11.922 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.424 32.554 -10.005 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.899 32.444 -10.915 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.362 31.639 -11.531 1.00 0.00 H new ATOM 20 N ARG A 2 -8.194 26.772 -10.058 1.00 0.00 N ATOM 21 CA ARG A 2 -9.572 27.043 -9.659 1.00 0.00 C ATOM 22 C ARG A 2 -10.076 25.987 -8.681 1.00 0.00 C ATOM 23 O ARG A 2 -11.064 25.303 -8.946 1.00 0.00 O ATOM 24 CB ARG A 2 -10.481 27.091 -10.890 1.00 0.00 C ATOM 25 CG ARG A 2 -10.086 26.107 -11.978 1.00 0.00 C ATOM 26 CD ARG A 2 -11.295 25.368 -12.527 1.00 0.00 C ATOM 27 NE ARG A 2 -11.335 25.390 -13.986 1.00 0.00 N ATOM 28 CZ ARG A 2 -12.063 24.552 -14.716 1.00 0.00 C ATOM 29 NH1 ARG A 2 -12.807 23.629 -14.122 1.00 0.00 N ATOM 30 NH2 ARG A 2 -12.046 24.635 -16.039 1.00 0.00 N ATOM 0 H ARG A 2 -7.773 25.965 -9.598 1.00 0.00 H new ATOM 0 HA ARG A 2 -9.594 28.012 -9.160 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.506 26.887 -10.582 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.467 28.100 -11.302 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.585 26.639 -12.787 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.370 25.389 -11.578 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.276 24.335 -12.181 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -12.205 25.820 -12.133 1.00 0.00 H new ATOM 0 HE ARG A 2 -10.772 26.088 -14.472 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -12.821 23.562 -13.104 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -13.366 22.986 -14.683 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.473 25.343 -16.498 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.606 23.991 -16.598 1.00 0.00 H new ATOM 44 N GLN A 3 -9.392 25.864 -7.548 1.00 0.00 N ATOM 45 CA GLN A 3 -9.771 24.895 -6.526 1.00 0.00 C ATOM 46 C GLN A 3 -9.873 23.491 -7.115 1.00 0.00 C ATOM 47 O GLN A 3 -10.965 23.014 -7.425 1.00 0.00 O ATOM 48 CB GLN A 3 -11.105 25.291 -5.888 1.00 0.00 C ATOM 49 CG GLN A 3 -10.988 25.663 -4.418 1.00 0.00 C ATOM 50 CD GLN A 3 -12.337 25.894 -3.766 1.00 0.00 C ATOM 51 OE1 GLN A 3 -13.155 26.668 -4.261 1.00 0.00 O ATOM 52 NE2 GLN A 3 -12.575 25.219 -2.647 1.00 0.00 N ATOM 0 H GLN A 3 -8.572 26.424 -7.314 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.995 24.892 -5.760 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -11.524 26.135 -6.436 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -11.807 24.464 -5.990 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -10.463 24.869 -3.887 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -10.383 26.565 -4.322 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -11.867 24.587 -2.272 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -13.465 25.332 -2.163 1.00 0.00 H new ATOM 61 N GLN A 4 -8.728 22.832 -7.260 1.00 0.00 N ATOM 62 CA GLN A 4 -8.689 21.481 -7.806 1.00 0.00 C ATOM 63 C GLN A 4 -7.304 20.866 -7.637 1.00 0.00 C ATOM 64 O GLN A 4 -6.289 21.557 -7.736 1.00 0.00 O ATOM 65 CB GLN A 4 -9.075 21.494 -9.286 1.00 0.00 C ATOM 66 CG GLN A 4 -10.092 20.428 -9.659 1.00 0.00 C ATOM 67 CD GLN A 4 -11.333 21.008 -10.307 1.00 0.00 C ATOM 68 OE1 GLN A 4 -11.246 21.809 -11.237 1.00 0.00 O ATOM 69 NE2 GLN A 4 -12.500 20.606 -9.816 1.00 0.00 N ATOM 0 H GLN A 4 -7.816 23.212 -7.007 1.00 0.00 H new ATOM 0 HA GLN A 4 -9.407 20.874 -7.255 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.479 22.474 -9.539 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.177 21.354 -9.888 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.631 19.714 -10.341 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.378 19.875 -8.764 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.526 19.940 -9.044 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.370 20.963 -10.211 1.00 0.00 H new ATOM 78 N LEU A 5 -7.269 19.562 -7.382 1.00 0.00 N ATOM 79 CA LEU A 5 -6.008 18.853 -7.198 1.00 0.00 C ATOM 80 C LEU A 5 -5.956 17.601 -8.069 1.00 0.00 C ATOM 81 O LEU A 5 -6.954 16.899 -8.225 1.00 0.00 O ATOM 82 CB LEU A 5 -5.823 18.472 -5.728 1.00 0.00 C ATOM 83 CG LEU A 5 -5.409 19.623 -4.809 1.00 0.00 C ATOM 84 CD1 LEU A 5 -6.475 19.873 -3.753 1.00 0.00 C ATOM 85 CD2 LEU A 5 -4.068 19.330 -4.156 1.00 0.00 C ATOM 0 H LEU A 5 -8.099 18.975 -7.298 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.199 19.518 -7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.757 18.049 -5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.070 17.687 -5.664 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.306 20.524 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.163 20.695 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.416 20.130 -4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.611 18.973 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.791 20.160 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.142 18.417 -3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.308 19.203 -4.927 1.00 0.00 H new ATOM 97 N GLU A 6 -4.783 17.330 -8.634 1.00 0.00 N ATOM 98 CA GLU A 6 -4.600 16.163 -9.488 1.00 0.00 C ATOM 99 C GLU A 6 -4.455 14.895 -8.655 1.00 0.00 C ATOM 100 O GLU A 6 -4.772 14.882 -7.466 1.00 0.00 O ATOM 101 CB GLU A 6 -3.368 16.348 -10.376 1.00 0.00 C ATOM 102 CG GLU A 6 -3.676 16.288 -11.864 1.00 0.00 C ATOM 103 CD GLU A 6 -2.518 15.743 -12.676 1.00 0.00 C ATOM 104 OE1 GLU A 6 -2.192 14.547 -12.519 1.00 0.00 O ATOM 105 OE2 GLU A 6 -1.936 16.511 -13.471 1.00 0.00 O ATOM 0 H GLU A 6 -3.947 17.902 -8.516 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.484 16.061 -10.118 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.907 17.309 -10.147 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.636 15.577 -10.133 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.554 15.663 -12.025 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.927 17.287 -12.220 1.00 0.00 H new ATOM 112 N MET A 7 -3.972 13.830 -9.287 1.00 0.00 N ATOM 113 CA MET A 7 -3.783 12.556 -8.603 1.00 0.00 C ATOM 114 C MET A 7 -2.352 12.420 -8.096 1.00 0.00 C ATOM 115 O MET A 7 -1.420 12.232 -8.878 1.00 0.00 O ATOM 116 CB MET A 7 -4.113 11.397 -9.545 1.00 0.00 C ATOM 117 CG MET A 7 -4.979 10.322 -8.907 1.00 0.00 C ATOM 118 SD MET A 7 -6.664 10.314 -9.549 1.00 0.00 S ATOM 119 CE MET A 7 -6.445 9.385 -11.064 1.00 0.00 C ATOM 0 H MET A 7 -3.705 13.824 -10.271 1.00 0.00 H new ATOM 0 HA MET A 7 -4.458 12.526 -7.748 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.624 11.789 -10.425 1.00 0.00 H new ATOM 0 HB3 MET A 7 -3.183 10.945 -9.891 1.00 0.00 H new ATOM 0 HG2 MET A 7 -4.525 9.346 -9.078 1.00 0.00 H new ATOM 0 HG3 MET A 7 -5.006 10.476 -7.828 1.00 0.00 H new ATOM 0 HE1 MET A 7 -7.403 9.294 -11.577 1.00 0.00 H new ATOM 0 HE2 MET A 7 -5.735 9.903 -11.709 1.00 0.00 H new ATOM 0 HE3 MET A 7 -6.064 8.391 -10.830 1.00 0.00 H new ATOM 129 N GLN A 8 -2.184 12.517 -6.782 1.00 0.00 N ATOM 130 CA GLN A 8 -0.865 12.407 -6.169 1.00 0.00 C ATOM 131 C GLN A 8 -0.243 11.043 -6.452 1.00 0.00 C ATOM 132 O GLN A 8 -0.917 10.129 -6.927 1.00 0.00 O ATOM 133 CB GLN A 8 -0.961 12.629 -4.657 1.00 0.00 C ATOM 134 CG GLN A 8 -1.554 13.976 -4.278 1.00 0.00 C ATOM 135 CD GLN A 8 -0.760 15.141 -4.837 1.00 0.00 C ATOM 136 OE1 GLN A 8 -0.602 15.274 -6.050 1.00 0.00 O ATOM 137 NE2 GLN A 8 -0.253 15.991 -3.951 1.00 0.00 N ATOM 0 H GLN A 8 -2.945 12.672 -6.120 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.227 13.176 -6.605 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.569 11.837 -4.220 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.035 12.544 -4.221 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.580 14.032 -4.642 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.596 14.058 -3.192 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.409 15.842 -2.954 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.292 16.793 -4.268 1.00 0.00 H new ATOM 146 N LYS A 9 1.045 10.915 -6.155 1.00 0.00 N ATOM 147 CA LYS A 9 1.759 9.662 -6.374 1.00 0.00 C ATOM 148 C LYS A 9 3.066 9.636 -5.587 1.00 0.00 C ATOM 149 O LYS A 9 3.212 8.872 -4.633 1.00 0.00 O ATOM 150 CB LYS A 9 2.043 9.465 -7.864 1.00 0.00 C ATOM 151 CG LYS A 9 0.897 8.813 -8.620 1.00 0.00 C ATOM 152 CD LYS A 9 1.399 8.007 -9.809 1.00 0.00 C ATOM 153 CE LYS A 9 0.624 6.708 -9.966 1.00 0.00 C ATOM 154 NZ LYS A 9 0.235 6.459 -11.382 1.00 0.00 N ATOM 0 H LYS A 9 1.616 11.663 -5.762 1.00 0.00 H new ATOM 0 HA LYS A 9 1.127 8.847 -6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.261 10.433 -8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.937 8.852 -7.977 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.340 8.161 -7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.205 9.581 -8.966 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.305 8.601 -10.718 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.459 7.787 -9.680 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.231 5.878 -9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.271 6.742 -9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.291 5.564 -11.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.366 7.238 -11.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.090 6.400 -11.972 1.00 0.00 H new ATOM 168 N LYS A 10 4.011 10.477 -5.992 1.00 0.00 N ATOM 169 CA LYS A 10 5.306 10.550 -5.326 1.00 0.00 C ATOM 170 C LYS A 10 5.142 10.830 -3.837 1.00 0.00 C ATOM 171 O LYS A 10 5.931 10.360 -3.017 1.00 0.00 O ATOM 172 CB LYS A 10 6.174 11.635 -5.963 1.00 0.00 C ATOM 173 CG LYS A 10 6.484 11.386 -7.429 1.00 0.00 C ATOM 174 CD LYS A 10 7.543 12.347 -7.942 1.00 0.00 C ATOM 175 CE LYS A 10 8.291 11.770 -9.133 1.00 0.00 C ATOM 176 NZ LYS A 10 9.518 12.552 -9.451 1.00 0.00 N ATOM 0 H LYS A 10 3.905 11.118 -6.778 1.00 0.00 H new ATOM 0 HA LYS A 10 5.796 9.584 -5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.669 12.596 -5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.110 11.710 -5.410 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.827 10.360 -7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.574 11.496 -8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.073 13.288 -8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.249 12.572 -7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.564 10.736 -8.924 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.634 11.757 -10.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.999 12.126 -10.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.256 13.533 -9.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 10.157 12.544 -8.631 1.00 0.00 H new ATOM 190 N GLN A 11 4.114 11.598 -3.491 1.00 0.00 N ATOM 191 CA GLN A 11 3.856 11.938 -2.098 1.00 0.00 C ATOM 192 C GLN A 11 3.772 10.676 -1.249 1.00 0.00 C ATOM 193 O GLN A 11 4.410 10.576 -0.201 1.00 0.00 O ATOM 194 CB GLN A 11 2.559 12.738 -1.975 1.00 0.00 C ATOM 195 CG GLN A 11 2.769 14.244 -1.969 1.00 0.00 C ATOM 196 CD GLN A 11 1.687 14.982 -1.205 1.00 0.00 C ATOM 197 OE1 GLN A 11 0.527 15.004 -1.614 1.00 0.00 O ATOM 198 NE2 GLN A 11 2.064 15.592 -0.087 1.00 0.00 N ATOM 0 H GLN A 11 3.449 11.995 -4.154 1.00 0.00 H new ATOM 0 HA GLN A 11 4.682 12.550 -1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.900 12.475 -2.803 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.049 12.447 -1.057 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.739 14.470 -1.526 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.795 14.607 -2.996 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.037 15.548 0.215 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.380 16.105 0.470 1.00 0.00 H new ATOM 207 N ILE A 12 2.998 9.706 -1.721 1.00 0.00 N ATOM 208 CA ILE A 12 2.844 8.441 -1.019 1.00 0.00 C ATOM 209 C ILE A 12 4.182 7.728 -0.884 1.00 0.00 C ATOM 210 O ILE A 12 4.538 7.249 0.193 1.00 0.00 O ATOM 211 CB ILE A 12 1.859 7.504 -1.745 1.00 0.00 C ATOM 212 CG1 ILE A 12 0.662 8.296 -2.294 1.00 0.00 C ATOM 213 CG2 ILE A 12 1.399 6.416 -0.800 1.00 0.00 C ATOM 214 CD1 ILE A 12 -0.516 7.434 -2.710 1.00 0.00 C ATOM 0 H ILE A 12 2.467 9.773 -2.589 1.00 0.00 H new ATOM 0 HA ILE A 12 2.449 8.677 -0.031 1.00 0.00 H new ATOM 0 HB ILE A 12 2.367 7.041 -2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.330 9.004 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.991 8.881 -3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.703 5.756 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.260 5.841 -0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.902 6.866 0.059 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.318 8.070 -3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.203 6.744 -3.493 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.875 6.868 -1.850 1.00 0.00 H new ATOM 226 N MET A 13 4.916 7.652 -1.988 1.00 0.00 N ATOM 227 CA MET A 13 6.203 6.972 -2.006 1.00 0.00 C ATOM 228 C MET A 13 7.126 7.511 -0.921 1.00 0.00 C ATOM 229 O MET A 13 7.986 6.794 -0.412 1.00 0.00 O ATOM 230 CB MET A 13 6.868 7.129 -3.374 1.00 0.00 C ATOM 231 CG MET A 13 7.778 5.969 -3.746 1.00 0.00 C ATOM 232 SD MET A 13 9.178 6.483 -4.760 1.00 0.00 S ATOM 233 CE MET A 13 10.436 6.726 -3.506 1.00 0.00 C ATOM 0 H MET A 13 4.640 8.054 -2.884 1.00 0.00 H new ATOM 0 HA MET A 13 6.024 5.915 -1.812 1.00 0.00 H new ATOM 0 HB2 MET A 13 6.094 7.231 -4.135 1.00 0.00 H new ATOM 0 HB3 MET A 13 7.448 8.052 -3.383 1.00 0.00 H new ATOM 0 HG2 MET A 13 8.147 5.496 -2.836 1.00 0.00 H new ATOM 0 HG3 MET A 13 7.201 5.217 -4.284 1.00 0.00 H new ATOM 0 HE1 MET A 13 11.364 7.047 -3.979 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.105 7.489 -2.802 1.00 0.00 H new ATOM 0 HE3 MET A 13 10.605 5.790 -2.974 1.00 0.00 H new ATOM 243 N MET A 14 6.955 8.783 -0.585 1.00 0.00 N ATOM 244 CA MET A 14 7.778 9.418 0.424 1.00 0.00 C ATOM 245 C MET A 14 7.296 9.060 1.829 1.00 0.00 C ATOM 246 O MET A 14 8.048 9.175 2.798 1.00 0.00 O ATOM 247 CB MET A 14 7.762 10.938 0.215 1.00 0.00 C ATOM 248 CG MET A 14 8.280 11.733 1.400 1.00 0.00 C ATOM 249 SD MET A 14 8.379 13.502 1.065 1.00 0.00 S ATOM 250 CE MET A 14 6.778 14.047 1.656 1.00 0.00 C ATOM 0 H MET A 14 6.251 9.393 -1.000 1.00 0.00 H new ATOM 0 HA MET A 14 8.801 9.054 0.325 1.00 0.00 H new ATOM 0 HB2 MET A 14 8.363 11.180 -0.661 1.00 0.00 H new ATOM 0 HB3 MET A 14 6.741 11.253 -0.002 1.00 0.00 H new ATOM 0 HG2 MET A 14 7.627 11.566 2.257 1.00 0.00 H new ATOM 0 HG3 MET A 14 9.268 11.364 1.675 1.00 0.00 H new ATOM 0 HE1 MET A 14 6.686 15.124 1.517 1.00 0.00 H new ATOM 0 HE2 MET A 14 5.992 13.540 1.096 1.00 0.00 H new ATOM 0 HE3 MET A 14 6.681 13.808 2.715 1.00 0.00 H new ATOM 260 N GLN A 15 6.040 8.632 1.942 1.00 0.00 N ATOM 261 CA GLN A 15 5.481 8.284 3.241 1.00 0.00 C ATOM 262 C GLN A 15 5.503 6.777 3.479 1.00 0.00 C ATOM 263 O GLN A 15 5.905 6.321 4.549 1.00 0.00 O ATOM 264 CB GLN A 15 4.045 8.805 3.349 1.00 0.00 C ATOM 265 CG GLN A 15 3.937 10.315 3.207 1.00 0.00 C ATOM 266 CD GLN A 15 2.769 10.892 3.983 1.00 0.00 C ATOM 267 OE1 GLN A 15 1.767 11.305 3.402 1.00 0.00 O ATOM 268 NE2 GLN A 15 2.895 10.922 5.305 1.00 0.00 N ATOM 0 H GLN A 15 5.398 8.520 1.157 1.00 0.00 H new ATOM 0 HA GLN A 15 6.101 8.753 4.005 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.436 8.331 2.580 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.630 8.508 4.312 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.862 10.776 3.554 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.830 10.570 2.153 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.745 10.568 5.744 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.142 11.299 5.881 1.00 0.00 H new ATOM 277 N ILE A 16 5.091 6.002 2.476 1.00 0.00 N ATOM 278 CA ILE A 16 5.084 4.547 2.599 1.00 0.00 C ATOM 279 C ILE A 16 4.522 3.873 1.349 1.00 0.00 C ATOM 280 O ILE A 16 3.548 3.126 1.427 1.00 0.00 O ATOM 281 CB ILE A 16 4.260 4.091 3.822 1.00 0.00 C ATOM 282 CG1 ILE A 16 4.276 2.565 3.941 1.00 0.00 C ATOM 283 CG2 ILE A 16 2.835 4.607 3.718 1.00 0.00 C ATOM 284 CD1 ILE A 16 4.169 2.070 5.366 1.00 0.00 C ATOM 0 H ILE A 16 4.761 6.354 1.578 1.00 0.00 H new ATOM 0 HA ILE A 16 6.124 4.246 2.727 1.00 0.00 H new ATOM 0 HB ILE A 16 4.713 4.507 4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.451 2.154 3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.197 2.184 3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.265 4.278 4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.844 5.696 3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.372 4.217 2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.187 0.980 5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.008 2.451 5.948 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.235 2.421 5.804 1.00 0.00 H new ATOM 296 N LEU A 17 5.138 4.124 0.200 1.00 0.00 N ATOM 297 CA LEU A 17 4.685 3.509 -1.044 1.00 0.00 C ATOM 298 C LEU A 17 5.871 3.124 -1.924 1.00 0.00 C ATOM 299 O LEU A 17 6.773 3.926 -2.162 1.00 0.00 O ATOM 300 CB LEU A 17 3.736 4.459 -1.788 1.00 0.00 C ATOM 301 CG LEU A 17 3.482 4.149 -3.269 1.00 0.00 C ATOM 302 CD1 LEU A 17 4.525 4.829 -4.142 1.00 0.00 C ATOM 303 CD2 LEU A 17 3.457 2.650 -3.526 1.00 0.00 C ATOM 0 H LEU A 17 5.944 4.742 0.102 1.00 0.00 H new ATOM 0 HA LEU A 17 4.141 2.596 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.777 4.459 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.138 5.470 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 17 2.500 4.544 -3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.329 4.598 -5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.477 5.908 -3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.517 4.469 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.275 2.465 -4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.416 2.216 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.663 2.193 -2.936 1.00 0.00 H new ATOM 315 N THR A 18 5.865 1.883 -2.395 1.00 0.00 N ATOM 316 CA THR A 18 6.930 1.386 -3.255 1.00 0.00 C ATOM 317 C THR A 18 6.389 1.065 -4.646 1.00 0.00 C ATOM 318 O THR A 18 5.287 0.533 -4.784 1.00 0.00 O ATOM 319 CB THR A 18 7.569 0.138 -2.641 1.00 0.00 C ATOM 320 OG1 THR A 18 6.579 -0.698 -2.065 1.00 0.00 O ATOM 321 CG2 THR A 18 8.589 0.450 -1.567 1.00 0.00 C ATOM 0 H THR A 18 5.133 1.202 -2.195 1.00 0.00 H new ATOM 0 HA THR A 18 7.689 2.163 -3.346 1.00 0.00 H new ATOM 0 HB THR A 18 8.079 -0.360 -3.466 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.798 -1.636 -2.245 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.001 -0.480 -1.176 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.392 1.053 -1.992 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.109 1.002 -0.759 1.00 0.00 H new ATOM 329 N PRO A 19 7.157 1.384 -5.701 1.00 0.00 N ATOM 330 CA PRO A 19 6.739 1.130 -7.080 1.00 0.00 C ATOM 331 C PRO A 19 6.205 -0.285 -7.267 1.00 0.00 C ATOM 332 O PRO A 19 5.340 -0.528 -8.109 1.00 0.00 O ATOM 333 CB PRO A 19 8.027 1.330 -7.878 1.00 0.00 C ATOM 334 CG PRO A 19 8.814 2.306 -7.074 1.00 0.00 C ATOM 335 CD PRO A 19 8.486 2.020 -5.632 1.00 0.00 C ATOM 0 HA PRO A 19 5.924 1.784 -7.392 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.567 0.391 -8.003 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.820 1.714 -8.877 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.882 2.193 -7.261 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.551 3.330 -7.338 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.224 1.360 -5.176 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.464 2.933 -5.037 1.00 0.00 H new ATOM 343 N GLU A 20 6.725 -1.215 -6.474 1.00 0.00 N ATOM 344 CA GLU A 20 6.295 -2.604 -6.542 1.00 0.00 C ATOM 345 C GLU A 20 4.907 -2.776 -5.932 1.00 0.00 C ATOM 346 O GLU A 20 4.126 -3.615 -6.373 1.00 0.00 O ATOM 347 CB GLU A 20 7.295 -3.508 -5.817 1.00 0.00 C ATOM 348 CG GLU A 20 8.051 -4.444 -6.744 1.00 0.00 C ATOM 349 CD GLU A 20 7.673 -5.898 -6.538 1.00 0.00 C ATOM 350 OE1 GLU A 20 6.483 -6.233 -6.715 1.00 0.00 O ATOM 351 OE2 GLU A 20 8.567 -6.701 -6.196 1.00 0.00 O ATOM 0 H GLU A 20 7.446 -1.031 -5.776 1.00 0.00 H new ATOM 0 HA GLU A 20 6.250 -2.891 -7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.011 -2.886 -5.279 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.763 -4.099 -5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.852 -4.164 -7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.122 -4.324 -6.581 1.00 0.00 H new ATOM 358 N ALA A 21 4.611 -1.983 -4.908 1.00 0.00 N ATOM 359 CA ALA A 21 3.326 -2.067 -4.220 1.00 0.00 C ATOM 360 C ALA A 21 2.157 -1.954 -5.197 1.00 0.00 C ATOM 361 O ALA A 21 1.247 -2.786 -5.190 1.00 0.00 O ATOM 362 CB ALA A 21 3.229 -0.986 -3.154 1.00 0.00 C ATOM 0 H ALA A 21 5.243 -1.274 -4.535 1.00 0.00 H new ATOM 0 HA ALA A 21 3.267 -3.046 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.266 -1.059 -2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.031 -1.118 -2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.320 -0.005 -3.621 1.00 0.00 H new ATOM 368 N ARG A 22 2.189 -0.928 -6.040 1.00 0.00 N ATOM 369 CA ARG A 22 1.117 -0.700 -7.003 1.00 0.00 C ATOM 370 C ARG A 22 1.159 -1.727 -8.132 1.00 0.00 C ATOM 371 O ARG A 22 0.142 -2.336 -8.466 1.00 0.00 O ATOM 372 CB ARG A 22 1.209 0.715 -7.576 1.00 0.00 C ATOM 373 CG ARG A 22 0.335 1.725 -6.847 1.00 0.00 C ATOM 374 CD ARG A 22 -0.315 2.701 -7.813 1.00 0.00 C ATOM 375 NE ARG A 22 0.147 4.071 -7.604 1.00 0.00 N ATOM 376 CZ ARG A 22 -0.110 4.775 -6.508 1.00 0.00 C ATOM 377 NH1 ARG A 22 -0.824 4.242 -5.526 1.00 0.00 N ATOM 378 NH2 ARG A 22 0.346 6.016 -6.391 1.00 0.00 N ATOM 0 H ARG A 22 2.943 -0.242 -6.077 1.00 0.00 H new ATOM 0 HA ARG A 22 0.168 -0.811 -6.479 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.246 1.048 -7.535 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.923 0.692 -8.628 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.437 1.200 -6.284 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.938 2.274 -6.124 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.096 2.397 -8.837 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.398 2.662 -7.694 1.00 0.00 H new ATOM 0 HE ARG A 22 0.698 4.511 -8.341 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.177 3.289 -5.611 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.020 4.785 -4.685 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.895 6.431 -7.144 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.147 6.555 -5.548 1.00 0.00 H new ATOM 392 N SER A 23 2.337 -1.913 -8.719 1.00 0.00 N ATOM 393 CA SER A 23 2.502 -2.865 -9.812 1.00 0.00 C ATOM 394 C SER A 23 2.205 -4.286 -9.346 1.00 0.00 C ATOM 395 O SER A 23 1.647 -5.091 -10.092 1.00 0.00 O ATOM 396 CB SER A 23 3.923 -2.788 -10.376 1.00 0.00 C ATOM 397 OG SER A 23 4.039 -3.541 -11.571 1.00 0.00 O ATOM 0 H SER A 23 3.190 -1.418 -8.457 1.00 0.00 H new ATOM 0 HA SER A 23 1.793 -2.603 -10.597 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.184 -1.748 -10.571 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.632 -3.161 -9.637 1.00 0.00 H new ATOM 0 HG SER A 23 4.955 -3.474 -11.912 1.00 0.00 H new ATOM 403 N ARG A 24 2.583 -4.590 -8.108 1.00 0.00 N ATOM 404 CA ARG A 24 2.342 -5.909 -7.540 1.00 0.00 C ATOM 405 C ARG A 24 0.850 -6.170 -7.425 1.00 0.00 C ATOM 406 O ARG A 24 0.375 -7.273 -7.695 1.00 0.00 O ATOM 407 CB ARG A 24 2.991 -6.024 -6.161 1.00 0.00 C ATOM 408 CG ARG A 24 2.854 -7.404 -5.545 1.00 0.00 C ATOM 409 CD ARG A 24 2.713 -7.327 -4.032 1.00 0.00 C ATOM 410 NE ARG A 24 2.566 -8.648 -3.428 1.00 0.00 N ATOM 411 CZ ARG A 24 3.580 -9.479 -3.217 1.00 0.00 C ATOM 412 NH1 ARG A 24 4.812 -9.128 -3.562 1.00 0.00 N ATOM 413 NH2 ARG A 24 3.366 -10.665 -2.662 1.00 0.00 N ATOM 0 H ARG A 24 3.057 -3.940 -7.481 1.00 0.00 H new ATOM 0 HA ARG A 24 2.784 -6.652 -8.203 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.049 -5.774 -6.243 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.541 -5.290 -5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.985 -7.908 -5.967 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.726 -8.006 -5.800 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.588 -6.831 -3.611 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.847 -6.715 -3.779 1.00 0.00 H new ATOM 0 HE ARG A 24 1.631 -8.950 -3.152 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.982 -8.218 -3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.589 -9.768 -3.399 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.421 -10.941 -2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.147 -11.301 -2.501 1.00 0.00 H new ATOM 427 N LEU A 25 0.113 -5.145 -7.019 1.00 0.00 N ATOM 428 CA LEU A 25 -1.329 -5.260 -6.868 1.00 0.00 C ATOM 429 C LEU A 25 -1.972 -5.685 -8.172 1.00 0.00 C ATOM 430 O LEU A 25 -2.652 -6.708 -8.242 1.00 0.00 O ATOM 431 CB LEU A 25 -1.910 -3.913 -6.439 1.00 0.00 C ATOM 432 CG LEU A 25 -3.334 -3.961 -5.882 1.00 0.00 C ATOM 433 CD1 LEU A 25 -3.335 -4.486 -4.458 1.00 0.00 C ATOM 434 CD2 LEU A 25 -3.973 -2.583 -5.944 1.00 0.00 C ATOM 0 H LEU A 25 0.491 -4.226 -6.789 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.536 -6.014 -6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.256 -3.479 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.896 -3.240 -7.297 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.921 -4.643 -6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.357 -4.512 -4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.916 -5.492 -4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.732 -3.831 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.986 -2.633 -5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.384 -1.882 -5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.008 -2.244 -6.979 1.00 0.00 H new ATOM 446 N ALA A 26 -1.694 -4.922 -9.214 1.00 0.00 N ATOM 447 CA ALA A 26 -2.221 -5.213 -10.541 1.00 0.00 C ATOM 448 C ALA A 26 -1.837 -6.623 -10.975 1.00 0.00 C ATOM 449 O ALA A 26 -2.567 -7.281 -11.715 1.00 0.00 O ATOM 450 CB ALA A 26 -1.712 -4.191 -11.546 1.00 0.00 C ATOM 0 H ALA A 26 -1.104 -4.091 -9.169 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.309 -5.152 -10.501 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.113 -4.420 -12.533 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.034 -3.194 -11.246 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.623 -4.225 -11.580 1.00 0.00 H new ATOM 456 N ASN A 27 -0.666 -7.061 -10.528 1.00 0.00 N ATOM 457 CA ASN A 27 -0.138 -8.361 -10.866 1.00 0.00 C ATOM 458 C ASN A 27 -0.879 -9.479 -10.157 1.00 0.00 C ATOM 459 O ASN A 27 -1.125 -10.536 -10.730 1.00 0.00 O ATOM 460 CB ASN A 27 1.317 -8.403 -10.435 1.00 0.00 C ATOM 461 CG ASN A 27 2.271 -7.830 -11.469 1.00 0.00 C ATOM 462 OD1 ASN A 27 1.815 -6.834 -12.222 1.00 0.00 O flip ATOM 463 ND2 ASN A 27 3.412 -8.278 -11.588 1.00 0.00 N flip ATOM 0 H ASN A 27 -0.058 -6.515 -9.917 1.00 0.00 H new ATOM 0 HA ASN A 27 -0.252 -8.509 -11.940 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.428 -7.849 -9.503 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.597 -9.436 -10.227 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.724 -9.043 -10.991 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.045 -7.884 -12.284 1.00 0.00 H new ATOM 470 N LEU A 28 -1.112 -9.285 -8.867 1.00 0.00 N ATOM 471 CA LEU A 28 -1.731 -10.303 -8.035 1.00 0.00 C ATOM 472 C LEU A 28 -3.229 -10.456 -8.301 1.00 0.00 C ATOM 473 O LEU A 28 -3.815 -11.496 -8.007 1.00 0.00 O ATOM 474 CB LEU A 28 -1.478 -9.994 -6.570 1.00 0.00 C ATOM 475 CG LEU A 28 -0.403 -10.860 -5.911 1.00 0.00 C ATOM 476 CD1 LEU A 28 0.360 -10.063 -4.867 1.00 0.00 C ATOM 477 CD2 LEU A 28 -1.029 -12.099 -5.293 1.00 0.00 C ATOM 0 H LEU A 28 -0.879 -8.424 -8.372 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.272 -11.257 -8.294 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.189 -8.947 -6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.411 -10.116 -6.020 1.00 0.00 H new ATOM 0 HG LEU A 28 0.304 -11.178 -6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.120 -10.696 -4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.839 -9.206 -5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.331 -9.713 -4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.252 -12.706 -4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.757 -11.801 -4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.527 -12.680 -6.069 1.00 0.00 H new ATOM 489 N ARG A 29 -3.852 -9.408 -8.820 1.00 0.00 N ATOM 490 CA ARG A 29 -5.300 -9.417 -9.046 1.00 0.00 C ATOM 491 C ARG A 29 -5.747 -10.683 -9.773 1.00 0.00 C ATOM 492 O ARG A 29 -6.668 -11.363 -9.318 1.00 0.00 O ATOM 493 CB ARG A 29 -5.723 -8.184 -9.845 1.00 0.00 C ATOM 494 CG ARG A 29 -5.049 -6.903 -9.386 1.00 0.00 C ATOM 495 CD ARG A 29 -5.895 -5.680 -9.693 1.00 0.00 C ATOM 496 NE ARG A 29 -6.198 -5.567 -11.116 1.00 0.00 N ATOM 497 CZ ARG A 29 -6.582 -4.436 -11.701 1.00 0.00 C ATOM 498 NH1 ARG A 29 -6.709 -3.328 -10.984 1.00 0.00 N ATOM 499 NH2 ARG A 29 -6.840 -4.414 -13.000 1.00 0.00 N ATOM 0 H ARG A 29 -3.386 -8.543 -9.093 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.784 -9.398 -8.070 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.495 -8.348 -10.898 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.804 -8.064 -9.768 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.861 -6.955 -8.314 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.080 -6.807 -9.875 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.825 -5.732 -9.127 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.370 -4.784 -9.362 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.110 -6.402 -11.695 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.512 -3.343 -9.983 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.004 -2.461 -11.433 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.744 -5.265 -13.553 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.134 -3.546 -13.447 1.00 0.00 H new ATOM 513 N LEU A 30 -5.081 -11.034 -10.868 1.00 0.00 N ATOM 514 CA LEU A 30 -5.432 -12.245 -11.591 1.00 0.00 C ATOM 515 C LEU A 30 -5.219 -13.488 -10.723 1.00 0.00 C ATOM 516 O LEU A 30 -5.709 -14.569 -11.047 1.00 0.00 O ATOM 517 CB LEU A 30 -4.643 -12.362 -12.903 1.00 0.00 C ATOM 518 CG LEU A 30 -3.141 -12.131 -12.850 1.00 0.00 C ATOM 519 CD1 LEU A 30 -2.856 -10.675 -13.099 1.00 0.00 C ATOM 520 CD2 LEU A 30 -2.549 -12.617 -11.540 1.00 0.00 C ATOM 0 H LEU A 30 -4.307 -10.504 -11.268 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.491 -12.180 -11.840 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.814 -13.359 -13.309 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.066 -11.651 -13.613 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.659 -12.716 -13.633 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.780 -10.503 -13.062 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.235 -10.393 -14.081 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.346 -10.072 -12.334 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.474 -12.436 -11.537 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.010 -12.080 -10.711 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.737 -13.685 -11.430 1.00 0.00 H new ATOM 532 N THR A 31 -4.507 -13.325 -9.606 1.00 0.00 N ATOM 533 CA THR A 31 -4.259 -14.426 -8.687 1.00 0.00 C ATOM 534 C THR A 31 -5.456 -14.637 -7.763 1.00 0.00 C ATOM 535 O THR A 31 -6.171 -15.631 -7.880 1.00 0.00 O ATOM 536 CB THR A 31 -3.001 -14.156 -7.869 1.00 0.00 C ATOM 537 OG1 THR A 31 -2.180 -13.199 -8.514 1.00 0.00 O ATOM 538 CG2 THR A 31 -2.162 -15.389 -7.632 1.00 0.00 C ATOM 0 H THR A 31 -4.093 -12.438 -9.320 1.00 0.00 H new ATOM 0 HA THR A 31 -4.111 -15.335 -9.270 1.00 0.00 H new ATOM 0 HB THR A 31 -3.358 -13.790 -6.907 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.241 -13.369 -8.290 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.283 -15.124 -7.044 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.750 -16.131 -7.092 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.846 -15.804 -8.589 1.00 0.00 H new ATOM 546 N ARG A 32 -5.680 -13.690 -6.853 1.00 0.00 N ATOM 547 CA ARG A 32 -6.815 -13.775 -5.938 1.00 0.00 C ATOM 548 C ARG A 32 -7.676 -12.519 -6.022 1.00 0.00 C ATOM 549 O ARG A 32 -7.170 -11.408 -5.906 1.00 0.00 O ATOM 550 CB ARG A 32 -6.333 -13.945 -4.492 1.00 0.00 C ATOM 551 CG ARG A 32 -5.035 -14.727 -4.364 1.00 0.00 C ATOM 552 CD ARG A 32 -4.675 -14.974 -2.909 1.00 0.00 C ATOM 553 NE ARG A 32 -4.936 -16.353 -2.508 1.00 0.00 N ATOM 554 CZ ARG A 32 -4.158 -17.377 -2.846 1.00 0.00 C ATOM 555 NH1 ARG A 32 -3.076 -17.175 -3.585 1.00 0.00 N ATOM 556 NH2 ARG A 32 -4.463 -18.603 -2.444 1.00 0.00 N ATOM 0 H ARG A 32 -5.096 -12.863 -6.731 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.407 -14.642 -6.232 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.198 -12.960 -4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.109 -14.451 -3.918 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.131 -15.681 -4.883 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.229 -14.178 -4.851 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.621 -14.744 -2.752 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.247 -14.297 -2.274 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.760 -16.541 -1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.839 -16.233 -3.895 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.481 -17.962 -3.843 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.295 -18.761 -1.875 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.866 -19.388 -2.704 1.00 0.00 H new ATOM 570 N PRO A 33 -8.994 -12.672 -6.206 1.00 0.00 N ATOM 571 CA PRO A 33 -9.911 -11.535 -6.229 1.00 0.00 C ATOM 572 C PRO A 33 -10.131 -10.949 -4.836 1.00 0.00 C ATOM 573 O PRO A 33 -10.573 -9.809 -4.691 1.00 0.00 O ATOM 574 CB PRO A 33 -11.204 -12.140 -6.768 1.00 0.00 C ATOM 575 CG PRO A 33 -11.160 -13.562 -6.323 1.00 0.00 C ATOM 576 CD PRO A 33 -9.708 -13.959 -6.327 1.00 0.00 C ATOM 0 HA PRO A 33 -9.531 -10.708 -6.829 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -12.079 -11.626 -6.371 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.256 -12.065 -7.854 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.591 -13.672 -5.328 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.739 -14.198 -6.993 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.473 -14.627 -5.498 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.438 -14.482 -7.244 1.00 0.00 H new ATOM 584 N ASP A 34 -9.867 -11.761 -3.811 1.00 0.00 N ATOM 585 CA ASP A 34 -10.081 -11.350 -2.426 1.00 0.00 C ATOM 586 C ASP A 34 -9.125 -10.245 -2.014 1.00 0.00 C ATOM 587 O ASP A 34 -9.540 -9.202 -1.511 1.00 0.00 O ATOM 588 CB ASP A 34 -9.902 -12.546 -1.489 1.00 0.00 C ATOM 589 CG ASP A 34 -10.902 -13.652 -1.762 1.00 0.00 C ATOM 590 OD1 ASP A 34 -12.095 -13.340 -1.955 1.00 0.00 O ATOM 591 OD2 ASP A 34 -10.490 -14.831 -1.784 1.00 0.00 O ATOM 0 H ASP A 34 -9.504 -12.708 -3.916 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.099 -10.968 -2.353 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.891 -12.940 -1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.006 -12.213 -0.456 1.00 0.00 H new ATOM 596 N PHE A 35 -7.843 -10.488 -2.219 1.00 0.00 N ATOM 597 CA PHE A 35 -6.819 -9.532 -1.842 1.00 0.00 C ATOM 598 C PHE A 35 -7.094 -8.159 -2.477 1.00 0.00 C ATOM 599 O PHE A 35 -7.034 -7.134 -1.804 1.00 0.00 O ATOM 600 CB PHE A 35 -5.431 -10.106 -2.208 1.00 0.00 C ATOM 601 CG PHE A 35 -4.666 -9.359 -3.264 1.00 0.00 C ATOM 602 CD1 PHE A 35 -5.024 -9.476 -4.590 1.00 0.00 C ATOM 603 CD2 PHE A 35 -3.593 -8.553 -2.928 1.00 0.00 C ATOM 604 CE1 PHE A 35 -4.333 -8.799 -5.571 1.00 0.00 C ATOM 605 CE2 PHE A 35 -2.887 -7.882 -3.906 1.00 0.00 C ATOM 606 CZ PHE A 35 -3.262 -8.002 -5.231 1.00 0.00 C ATOM 0 H PHE A 35 -7.486 -11.343 -2.646 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.835 -9.369 -0.764 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.824 -10.140 -1.303 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.562 -11.135 -2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.857 -10.107 -4.863 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.305 -8.448 -1.892 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.630 -8.893 -6.605 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.043 -7.264 -3.636 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.717 -7.472 -5.998 1.00 0.00 H new ATOM 616 N VAL A 36 -7.439 -8.149 -3.760 1.00 0.00 N ATOM 617 CA VAL A 36 -7.728 -6.895 -4.456 1.00 0.00 C ATOM 618 C VAL A 36 -8.914 -6.169 -3.825 1.00 0.00 C ATOM 619 O VAL A 36 -8.850 -4.969 -3.567 1.00 0.00 O ATOM 620 CB VAL A 36 -8.031 -7.126 -5.953 1.00 0.00 C ATOM 621 CG1 VAL A 36 -8.366 -5.815 -6.647 1.00 0.00 C ATOM 622 CG2 VAL A 36 -6.858 -7.795 -6.641 1.00 0.00 C ATOM 0 H VAL A 36 -7.526 -8.986 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.832 -6.281 -4.363 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.897 -7.784 -6.021 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.575 -6.004 -7.700 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.242 -5.368 -6.177 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -7.521 -5.132 -6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.093 -7.948 -7.694 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.976 -7.161 -6.555 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.661 -8.758 -6.170 1.00 0.00 H new ATOM 632 N GLU A 37 -10.006 -6.895 -3.619 1.00 0.00 N ATOM 633 CA GLU A 37 -11.233 -6.303 -3.092 1.00 0.00 C ATOM 634 C GLU A 37 -10.984 -5.524 -1.805 1.00 0.00 C ATOM 635 O GLU A 37 -11.335 -4.347 -1.706 1.00 0.00 O ATOM 636 CB GLU A 37 -12.275 -7.394 -2.846 1.00 0.00 C ATOM 637 CG GLU A 37 -12.980 -7.856 -4.111 1.00 0.00 C ATOM 638 CD GLU A 37 -14.242 -8.644 -3.823 1.00 0.00 C ATOM 639 OE1 GLU A 37 -14.284 -9.341 -2.787 1.00 0.00 O ATOM 640 OE2 GLU A 37 -15.189 -8.564 -4.634 1.00 0.00 O ATOM 0 H GLU A 37 -10.069 -7.895 -3.808 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.605 -5.600 -3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.789 -8.250 -2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.018 -7.023 -2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.230 -6.988 -4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.298 -8.472 -4.698 1.00 0.00 H new ATOM 647 N GLN A 38 -10.356 -6.171 -0.832 1.00 0.00 N ATOM 648 CA GLN A 38 -10.075 -5.530 0.443 1.00 0.00 C ATOM 649 C GLN A 38 -8.962 -4.504 0.297 1.00 0.00 C ATOM 650 O GLN A 38 -9.104 -3.353 0.710 1.00 0.00 O ATOM 651 CB GLN A 38 -9.693 -6.583 1.484 1.00 0.00 C ATOM 652 CG GLN A 38 -9.450 -6.030 2.868 1.00 0.00 C ATOM 653 CD GLN A 38 -8.155 -5.251 2.984 1.00 0.00 C ATOM 654 OE1 GLN A 38 -7.259 -5.384 2.150 1.00 0.00 O ATOM 655 NE2 GLN A 38 -8.049 -4.432 4.024 1.00 0.00 N ATOM 0 H GLN A 38 -10.033 -7.136 -0.902 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.974 -5.012 0.776 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.486 -7.328 1.538 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.793 -7.099 1.149 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.282 -5.382 3.144 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.436 -6.853 3.583 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.817 -4.353 4.691 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.200 -3.882 4.156 1.00 0.00 H new ATOM 664 N ILE A 39 -7.850 -4.932 -0.285 1.00 0.00 N ATOM 665 CA ILE A 39 -6.707 -4.053 -0.470 1.00 0.00 C ATOM 666 C ILE A 39 -7.098 -2.800 -1.253 1.00 0.00 C ATOM 667 O ILE A 39 -6.780 -1.690 -0.841 1.00 0.00 O ATOM 668 CB ILE A 39 -5.540 -4.787 -1.165 1.00 0.00 C ATOM 669 CG1 ILE A 39 -4.986 -5.857 -0.209 1.00 0.00 C ATOM 670 CG2 ILE A 39 -4.450 -3.799 -1.587 1.00 0.00 C ATOM 671 CD1 ILE A 39 -3.558 -6.274 -0.484 1.00 0.00 C ATOM 0 H ILE A 39 -7.717 -5.880 -0.636 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.368 -3.745 0.519 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.901 -5.272 -2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.050 -5.480 0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.624 -6.739 -0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.638 -4.339 -2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.869 -3.070 -2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.066 -3.283 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.254 -7.031 0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.486 -6.685 -1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.903 -5.407 -0.399 1.00 0.00 H new ATOM 683 N GLU A 40 -7.788 -2.979 -2.377 1.00 0.00 N ATOM 684 CA GLU A 40 -8.191 -1.845 -3.207 1.00 0.00 C ATOM 685 C GLU A 40 -9.031 -0.849 -2.419 1.00 0.00 C ATOM 686 O GLU A 40 -8.767 0.353 -2.447 1.00 0.00 O ATOM 687 CB GLU A 40 -8.969 -2.315 -4.436 1.00 0.00 C ATOM 688 CG GLU A 40 -8.085 -2.911 -5.516 1.00 0.00 C ATOM 689 CD GLU A 40 -8.759 -2.933 -6.875 1.00 0.00 C ATOM 690 OE1 GLU A 40 -9.919 -3.392 -6.955 1.00 0.00 O ATOM 691 OE2 GLU A 40 -8.128 -2.493 -7.859 1.00 0.00 O ATOM 0 H GLU A 40 -8.078 -3.890 -2.732 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.279 -1.346 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.706 -3.057 -4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.521 -1.472 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.161 -2.337 -5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.809 -3.927 -5.235 1.00 0.00 H new ATOM 698 N LEU A 41 -10.046 -1.346 -1.719 1.00 0.00 N ATOM 699 CA LEU A 41 -10.924 -0.478 -0.941 1.00 0.00 C ATOM 700 C LEU A 41 -10.112 0.450 -0.041 1.00 0.00 C ATOM 701 O LEU A 41 -10.276 1.670 -0.078 1.00 0.00 O ATOM 702 CB LEU A 41 -11.885 -1.315 -0.099 1.00 0.00 C ATOM 703 CG LEU A 41 -13.095 -0.558 0.451 1.00 0.00 C ATOM 704 CD1 LEU A 41 -12.649 0.539 1.406 1.00 0.00 C ATOM 705 CD2 LEU A 41 -13.922 0.023 -0.685 1.00 0.00 C ATOM 0 H LEU A 41 -10.280 -2.338 -1.674 1.00 0.00 H new ATOM 0 HA LEU A 41 -11.500 0.133 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -12.242 -2.148 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.332 -1.742 0.738 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.719 -1.260 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.523 1.067 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.101 0.097 2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.003 1.241 0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.779 0.558 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.309 0.711 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.272 -0.783 -1.329 1.00 0.00 H new ATOM 717 N GLN A 42 -9.218 -0.137 0.745 1.00 0.00 N ATOM 718 CA GLN A 42 -8.366 0.630 1.646 1.00 0.00 C ATOM 719 C GLN A 42 -7.264 1.354 0.872 1.00 0.00 C ATOM 720 O GLN A 42 -6.859 2.459 1.232 1.00 0.00 O ATOM 721 CB GLN A 42 -7.750 -0.295 2.699 1.00 0.00 C ATOM 722 CG GLN A 42 -8.163 0.043 4.122 1.00 0.00 C ATOM 723 CD GLN A 42 -6.978 0.220 5.049 1.00 0.00 C ATOM 724 OE1 GLN A 42 -6.847 1.245 5.719 1.00 0.00 O ATOM 725 NE2 GLN A 42 -6.108 -0.782 5.095 1.00 0.00 N ATOM 0 H GLN A 42 -9.064 -1.145 0.777 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.981 1.380 2.144 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.038 -1.323 2.480 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.664 -0.245 2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.754 0.959 4.116 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.805 -0.749 4.507 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.256 -1.613 4.522 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.291 -0.721 5.703 1.00 0.00 H new ATOM 734 N LEU A 43 -6.791 0.719 -0.196 1.00 0.00 N ATOM 735 CA LEU A 43 -5.731 1.279 -1.026 1.00 0.00 C ATOM 736 C LEU A 43 -6.204 2.539 -1.747 1.00 0.00 C ATOM 737 O LEU A 43 -5.546 3.578 -1.698 1.00 0.00 O ATOM 738 CB LEU A 43 -5.264 0.224 -2.042 1.00 0.00 C ATOM 739 CG LEU A 43 -4.520 0.752 -3.275 1.00 0.00 C ATOM 740 CD1 LEU A 43 -5.509 1.188 -4.346 1.00 0.00 C ATOM 741 CD2 LEU A 43 -3.599 1.898 -2.899 1.00 0.00 C ATOM 0 H LEU A 43 -7.129 -0.191 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.896 1.558 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.614 -0.483 -1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.137 -0.334 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.909 -0.056 -3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.965 1.560 -5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.125 0.338 -4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.147 1.979 -3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.082 2.256 -3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.185 2.710 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.867 1.552 -2.169 1.00 0.00 H new ATOM 753 N ILE A 44 -7.341 2.437 -2.425 1.00 0.00 N ATOM 754 CA ILE A 44 -7.890 3.561 -3.171 1.00 0.00 C ATOM 755 C ILE A 44 -8.238 4.723 -2.246 1.00 0.00 C ATOM 756 O ILE A 44 -7.931 5.878 -2.540 1.00 0.00 O ATOM 757 CB ILE A 44 -9.149 3.153 -3.961 1.00 0.00 C ATOM 758 CG1 ILE A 44 -9.571 4.279 -4.908 1.00 0.00 C ATOM 759 CG2 ILE A 44 -10.287 2.800 -3.013 1.00 0.00 C ATOM 760 CD1 ILE A 44 -10.868 4.003 -5.635 1.00 0.00 C ATOM 0 H ILE A 44 -7.901 1.586 -2.473 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.118 3.879 -3.872 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.912 2.270 -4.554 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.673 5.203 -4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.781 4.442 -5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.166 2.515 -3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.985 1.968 -2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.525 3.664 -2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.105 4.843 -6.288 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.765 3.097 -6.232 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.671 3.870 -4.910 1.00 0.00 H new ATOM 772 N GLN A 45 -8.886 4.410 -1.131 1.00 0.00 N ATOM 773 CA GLN A 45 -9.300 5.429 -0.178 1.00 0.00 C ATOM 774 C GLN A 45 -8.098 6.128 0.453 1.00 0.00 C ATOM 775 O GLN A 45 -8.119 7.337 0.667 1.00 0.00 O ATOM 776 CB GLN A 45 -10.168 4.799 0.912 1.00 0.00 C ATOM 777 CG GLN A 45 -11.377 5.639 1.286 1.00 0.00 C ATOM 778 CD GLN A 45 -12.270 4.956 2.303 1.00 0.00 C ATOM 779 OE1 GLN A 45 -13.171 4.197 1.946 1.00 0.00 O ATOM 780 NE2 GLN A 45 -12.023 5.223 3.580 1.00 0.00 N ATOM 0 H GLN A 45 -9.136 3.457 -0.865 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.878 6.179 -0.718 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.507 3.819 0.575 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.559 4.637 1.801 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.040 6.595 1.688 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.955 5.856 0.388 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.266 5.859 3.831 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.591 4.793 4.310 1.00 0.00 H new ATOM 789 N LEU A 46 -7.064 5.357 0.774 1.00 0.00 N ATOM 790 CA LEU A 46 -5.876 5.906 1.422 1.00 0.00 C ATOM 791 C LEU A 46 -5.053 6.781 0.476 1.00 0.00 C ATOM 792 O LEU A 46 -4.732 7.925 0.800 1.00 0.00 O ATOM 793 CB LEU A 46 -5.003 4.769 1.961 1.00 0.00 C ATOM 794 CG LEU A 46 -5.238 4.414 3.430 1.00 0.00 C ATOM 795 CD1 LEU A 46 -6.727 4.303 3.721 1.00 0.00 C ATOM 796 CD2 LEU A 46 -4.526 3.117 3.784 1.00 0.00 C ATOM 0 H LEU A 46 -7.024 4.353 0.597 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.217 6.537 2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.177 3.879 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.956 5.043 1.832 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.827 5.212 4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.875 4.050 4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.212 5.255 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.163 3.524 3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.704 2.879 4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.908 2.310 3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.455 3.232 3.614 1.00 0.00 H new ATOM 808 N ALA A 47 -4.695 6.236 -0.684 1.00 0.00 N ATOM 809 CA ALA A 47 -3.863 6.954 -1.644 1.00 0.00 C ATOM 810 C ALA A 47 -4.633 8.059 -2.367 1.00 0.00 C ATOM 811 O ALA A 47 -4.198 9.210 -2.395 1.00 0.00 O ATOM 812 CB ALA A 47 -3.268 5.980 -2.651 1.00 0.00 C ATOM 0 H ALA A 47 -4.968 5.299 -0.981 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.061 7.435 -1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.649 6.526 -3.363 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.657 5.244 -2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.071 5.472 -3.184 1.00 0.00 H new ATOM 818 N GLN A 48 -5.763 7.703 -2.969 1.00 0.00 N ATOM 819 CA GLN A 48 -6.559 8.666 -3.727 1.00 0.00 C ATOM 820 C GLN A 48 -7.315 9.619 -2.808 1.00 0.00 C ATOM 821 O GLN A 48 -7.521 10.785 -3.146 1.00 0.00 O ATOM 822 CB GLN A 48 -7.544 7.937 -4.644 1.00 0.00 C ATOM 823 CG GLN A 48 -6.886 6.912 -5.553 1.00 0.00 C ATOM 824 CD GLN A 48 -7.752 6.546 -6.743 1.00 0.00 C ATOM 825 OE1 GLN A 48 -8.692 7.262 -7.085 1.00 0.00 O ATOM 826 NE2 GLN A 48 -7.435 5.426 -7.382 1.00 0.00 N ATOM 0 H GLN A 48 -6.148 6.759 -2.948 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.871 9.257 -4.332 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.296 7.438 -4.032 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.068 8.671 -5.257 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.934 7.306 -5.909 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.665 6.012 -4.979 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.647 4.863 -7.063 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.980 5.129 -8.192 1.00 0.00 H new ATOM 835 N MET A 49 -7.739 9.120 -1.653 1.00 0.00 N ATOM 836 CA MET A 49 -8.482 9.937 -0.700 1.00 0.00 C ATOM 837 C MET A 49 -7.779 9.980 0.652 1.00 0.00 C ATOM 838 O MET A 49 -8.333 9.548 1.663 1.00 0.00 O ATOM 839 CB MET A 49 -9.903 9.394 -0.534 1.00 0.00 C ATOM 840 CG MET A 49 -10.899 9.983 -1.520 1.00 0.00 C ATOM 841 SD MET A 49 -12.077 11.100 -0.734 1.00 0.00 S ATOM 842 CE MET A 49 -12.588 12.097 -2.132 1.00 0.00 C ATOM 0 H MET A 49 -7.582 8.158 -1.354 1.00 0.00 H new ATOM 0 HA MET A 49 -8.530 10.953 -1.092 1.00 0.00 H new ATOM 0 HB2 MET A 49 -9.885 8.311 -0.652 1.00 0.00 H new ATOM 0 HB3 MET A 49 -10.245 9.598 0.481 1.00 0.00 H new ATOM 0 HG2 MET A 49 -10.358 10.521 -2.299 1.00 0.00 H new ATOM 0 HG3 MET A 49 -11.442 9.174 -2.009 1.00 0.00 H new ATOM 0 HE1 MET A 49 -13.318 12.837 -1.804 1.00 0.00 H new ATOM 0 HE2 MET A 49 -11.721 12.606 -2.553 1.00 0.00 H new ATOM 0 HE3 MET A 49 -13.036 11.456 -2.891 1.00 0.00 H new ATOM 852 N GLY A 50 -6.557 10.502 0.665 1.00 0.00 N ATOM 853 CA GLY A 50 -5.805 10.585 1.903 1.00 0.00 C ATOM 854 C GLY A 50 -4.506 11.352 1.747 1.00 0.00 C ATOM 855 O GLY A 50 -3.495 10.794 1.321 1.00 0.00 O ATOM 0 H GLY A 50 -6.076 10.868 -0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.418 11.067 2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.587 9.578 2.260 1.00 0.00 H new ATOM 859 N ARG A 51 -4.531 12.632 2.105 1.00 0.00 N ATOM 860 CA ARG A 51 -3.343 13.473 2.017 1.00 0.00 C ATOM 861 C ARG A 51 -2.203 12.880 2.838 1.00 0.00 C ATOM 862 O ARG A 51 -1.067 12.794 2.371 1.00 0.00 O ATOM 863 CB ARG A 51 -3.658 14.888 2.504 1.00 0.00 C ATOM 864 CG ARG A 51 -2.815 15.964 1.839 1.00 0.00 C ATOM 865 CD ARG A 51 -1.749 16.499 2.782 1.00 0.00 C ATOM 866 NE ARG A 51 -2.329 17.134 3.961 1.00 0.00 N ATOM 867 CZ ARG A 51 -2.910 18.330 3.943 1.00 0.00 C ATOM 868 NH1 ARG A 51 -2.988 19.015 2.811 1.00 0.00 N ATOM 869 NH2 ARG A 51 -3.414 18.841 5.059 1.00 0.00 N ATOM 0 H ARG A 51 -5.360 13.109 2.458 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.032 13.519 0.973 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.712 15.100 2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.506 14.934 3.582 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.341 15.556 0.946 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.458 16.782 1.513 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.098 15.682 3.094 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.125 17.219 2.252 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.286 16.633 4.848 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.602 18.625 1.951 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.434 19.932 2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.356 18.316 5.932 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.859 19.758 5.044 1.00 0.00 H new ATOM 883 N VAL A 52 -2.518 12.466 4.062 1.00 0.00 N ATOM 884 CA VAL A 52 -1.524 11.869 4.947 1.00 0.00 C ATOM 885 C VAL A 52 -1.514 10.351 4.805 1.00 0.00 C ATOM 886 O VAL A 52 -0.484 9.706 5.000 1.00 0.00 O ATOM 887 CB VAL A 52 -1.787 12.235 6.419 1.00 0.00 C ATOM 888 CG1 VAL A 52 -1.556 13.721 6.650 1.00 0.00 C ATOM 889 CG2 VAL A 52 -3.198 11.837 6.827 1.00 0.00 C ATOM 0 H VAL A 52 -3.453 12.533 4.463 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.554 12.269 4.653 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.085 11.681 7.042 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.747 13.961 7.696 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.524 13.972 6.403 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.231 14.297 6.017 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.364 12.104 7.871 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.919 12.360 6.199 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.323 10.761 6.704 1.00 0.00 H new ATOM 899 N ARG A 53 -2.667 9.786 4.456 1.00 0.00 N ATOM 900 CA ARG A 53 -2.790 8.345 4.278 1.00 0.00 C ATOM 901 C ARG A 53 -2.129 7.904 2.976 1.00 0.00 C ATOM 902 O ARG A 53 -2.440 8.423 1.903 1.00 0.00 O ATOM 903 CB ARG A 53 -4.264 7.931 4.281 1.00 0.00 C ATOM 904 CG ARG A 53 -4.682 7.181 5.535 1.00 0.00 C ATOM 905 CD ARG A 53 -4.648 8.079 6.761 1.00 0.00 C ATOM 906 NE ARG A 53 -3.668 7.626 7.744 1.00 0.00 N ATOM 907 CZ ARG A 53 -3.434 8.252 8.892 1.00 0.00 C ATOM 908 NH1 ARG A 53 -4.108 9.352 9.199 1.00 0.00 N ATOM 909 NH2 ARG A 53 -2.525 7.780 9.734 1.00 0.00 N ATOM 0 H ARG A 53 -3.529 10.306 4.291 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.283 7.856 5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.883 8.822 4.177 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.459 7.304 3.411 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.688 6.782 5.403 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.019 6.329 5.688 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.412 9.099 6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.637 8.104 7.220 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.133 6.782 7.538 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.807 9.719 8.553 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.927 9.831 10.081 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.004 6.935 9.501 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.347 8.262 10.615 1.00 0.00 H new ATOM 923 N SER A 54 -1.213 6.947 3.078 1.00 0.00 N ATOM 924 CA SER A 54 -0.496 6.447 1.911 1.00 0.00 C ATOM 925 C SER A 54 -0.763 4.956 1.703 1.00 0.00 C ATOM 926 O SER A 54 -0.998 4.222 2.663 1.00 0.00 O ATOM 927 CB SER A 54 1.003 6.709 2.073 1.00 0.00 C ATOM 928 OG SER A 54 1.304 7.144 3.388 1.00 0.00 O ATOM 0 H SER A 54 -0.950 6.502 3.957 1.00 0.00 H new ATOM 0 HA SER A 54 -0.855 6.976 1.028 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.561 5.799 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.324 7.463 1.354 1.00 0.00 H new ATOM 0 HG SER A 54 1.407 8.119 3.395 1.00 0.00 H new ATOM 934 N LYS A 55 -0.743 4.516 0.445 1.00 0.00 N ATOM 935 CA LYS A 55 -1.020 3.121 0.115 1.00 0.00 C ATOM 936 C LYS A 55 -0.027 2.169 0.772 1.00 0.00 C ATOM 937 O LYS A 55 1.144 2.498 0.965 1.00 0.00 O ATOM 938 CB LYS A 55 -1.040 2.910 -1.400 1.00 0.00 C ATOM 939 CG LYS A 55 0.332 2.803 -2.042 1.00 0.00 C ATOM 940 CD LYS A 55 0.216 2.433 -3.510 1.00 0.00 C ATOM 941 CE LYS A 55 0.675 1.004 -3.762 1.00 0.00 C ATOM 942 NZ LYS A 55 -0.469 0.053 -3.812 1.00 0.00 N ATOM 0 H LYS A 55 -0.538 5.106 -0.361 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.008 2.891 0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.601 2.002 -1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.579 3.737 -1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.859 3.752 -1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.925 2.052 -1.519 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.818 2.547 -3.835 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.815 3.120 -4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.225 0.960 -4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.365 0.700 -2.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.151 -0.852 -4.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.832 -0.104 -2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.225 0.450 -4.406 1.00 0.00 H new ATOM 956 N ILE A 56 -0.527 0.996 1.135 1.00 0.00 N ATOM 957 CA ILE A 56 0.275 -0.030 1.789 1.00 0.00 C ATOM 958 C ILE A 56 1.391 -0.533 0.876 1.00 0.00 C ATOM 959 O ILE A 56 1.212 -0.645 -0.338 1.00 0.00 O ATOM 960 CB ILE A 56 -0.603 -1.223 2.208 1.00 0.00 C ATOM 961 CG1 ILE A 56 -1.743 -0.755 3.115 1.00 0.00 C ATOM 962 CG2 ILE A 56 0.232 -2.281 2.907 1.00 0.00 C ATOM 963 CD1 ILE A 56 -3.036 -1.510 2.895 1.00 0.00 C ATOM 0 H ILE A 56 -1.500 0.728 0.985 1.00 0.00 H new ATOM 0 HA ILE A 56 0.720 0.427 2.673 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.035 -1.665 1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.438 -0.867 4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.918 0.308 2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.406 -3.116 3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.010 -2.636 2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.692 -1.852 3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.801 -1.127 3.571 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.364 -1.378 1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.876 -2.570 3.092 1.00 0.00 H new ATOM 975 N THR A 57 2.545 -0.828 1.469 1.00 0.00 N ATOM 976 CA THR A 57 3.699 -1.306 0.713 1.00 0.00 C ATOM 977 C THR A 57 3.527 -2.767 0.314 1.00 0.00 C ATOM 978 O THR A 57 2.737 -3.498 0.912 1.00 0.00 O ATOM 979 CB THR A 57 4.976 -1.141 1.538 1.00 0.00 C ATOM 980 OG1 THR A 57 4.880 -1.855 2.757 1.00 0.00 O ATOM 981 CG2 THR A 57 5.293 0.300 1.872 1.00 0.00 C ATOM 0 H THR A 57 2.706 -0.744 2.473 1.00 0.00 H new ATOM 0 HA THR A 57 3.777 -0.709 -0.195 1.00 0.00 H new ATOM 0 HB THR A 57 5.777 -1.534 0.912 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.707 -1.739 3.270 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.211 0.344 2.458 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.423 0.867 0.950 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.473 0.729 2.449 1.00 0.00 H new ATOM 989 N ASP A 58 4.272 -3.185 -0.706 1.00 0.00 N ATOM 990 CA ASP A 58 4.203 -4.557 -1.193 1.00 0.00 C ATOM 991 C ASP A 58 4.386 -5.550 -0.053 1.00 0.00 C ATOM 992 O ASP A 58 3.847 -6.657 -0.089 1.00 0.00 O ATOM 993 CB ASP A 58 5.270 -4.792 -2.264 1.00 0.00 C ATOM 994 CG ASP A 58 6.640 -4.304 -1.834 1.00 0.00 C ATOM 995 OD1 ASP A 58 6.797 -3.082 -1.629 1.00 0.00 O ATOM 996 OD2 ASP A 58 7.556 -5.143 -1.702 1.00 0.00 O ATOM 0 H ASP A 58 4.930 -2.592 -1.211 1.00 0.00 H new ATOM 0 HA ASP A 58 3.216 -4.712 -1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.322 -5.856 -2.493 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.978 -4.282 -3.182 1.00 0.00 H new ATOM 1001 N GLU A 59 5.146 -5.149 0.960 1.00 0.00 N ATOM 1002 CA GLU A 59 5.395 -6.009 2.109 1.00 0.00 C ATOM 1003 C GLU A 59 4.130 -6.180 2.940 1.00 0.00 C ATOM 1004 O GLU A 59 3.688 -7.300 3.198 1.00 0.00 O ATOM 1005 CB GLU A 59 6.506 -5.413 2.975 1.00 0.00 C ATOM 1006 CG GLU A 59 6.709 -6.141 4.297 1.00 0.00 C ATOM 1007 CD GLU A 59 7.525 -5.335 5.287 1.00 0.00 C ATOM 1008 OE1 GLU A 59 7.988 -4.235 4.920 1.00 0.00 O ATOM 1009 OE2 GLU A 59 7.701 -5.803 6.432 1.00 0.00 O ATOM 0 H GLU A 59 5.599 -4.236 1.008 1.00 0.00 H new ATOM 0 HA GLU A 59 5.705 -6.988 1.745 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.440 -5.430 2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.275 -4.367 3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.737 -6.370 4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.207 -7.092 4.111 1.00 0.00 H new ATOM 1016 N GLN A 60 3.535 -5.062 3.337 1.00 0.00 N ATOM 1017 CA GLN A 60 2.311 -5.097 4.121 1.00 0.00 C ATOM 1018 C GLN A 60 1.159 -5.595 3.259 1.00 0.00 C ATOM 1019 O GLN A 60 0.230 -6.235 3.752 1.00 0.00 O ATOM 1020 CB GLN A 60 2.000 -3.716 4.698 1.00 0.00 C ATOM 1021 CG GLN A 60 2.669 -3.457 6.038 1.00 0.00 C ATOM 1022 CD GLN A 60 1.967 -2.380 6.843 1.00 0.00 C ATOM 1023 OE1 GLN A 60 1.358 -1.469 6.284 1.00 0.00 O ATOM 1024 NE2 GLN A 60 2.051 -2.482 8.165 1.00 0.00 N ATOM 0 H GLN A 60 3.880 -4.125 3.129 1.00 0.00 H new ATOM 0 HA GLN A 60 2.447 -5.785 4.955 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.319 -2.953 3.988 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.921 -3.613 4.813 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.688 -4.382 6.615 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.705 -3.163 5.872 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.567 -3.255 8.585 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.599 -1.787 8.760 1.00 0.00 H new ATOM 1033 N LEU A 61 1.247 -5.326 1.958 1.00 0.00 N ATOM 1034 CA LEU A 61 0.240 -5.789 1.014 1.00 0.00 C ATOM 1035 C LEU A 61 0.245 -7.311 0.941 1.00 0.00 C ATOM 1036 O LEU A 61 -0.809 -7.943 0.891 1.00 0.00 O ATOM 1037 CB LEU A 61 0.499 -5.210 -0.381 1.00 0.00 C ATOM 1038 CG LEU A 61 0.105 -3.743 -0.566 1.00 0.00 C ATOM 1039 CD1 LEU A 61 0.589 -3.229 -1.915 1.00 0.00 C ATOM 1040 CD2 LEU A 61 -1.402 -3.577 -0.440 1.00 0.00 C ATOM 0 H LEU A 61 2.006 -4.790 1.537 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.734 -5.447 1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.560 -5.315 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.044 -5.809 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 61 0.582 -3.155 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.301 -2.184 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.674 -3.314 -1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.139 -3.820 -2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.665 -2.528 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.899 -4.176 -1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.723 -3.908 0.548 1.00 0.00 H new ATOM 1052 N LYS A 62 1.442 -7.896 0.937 1.00 0.00 N ATOM 1053 CA LYS A 62 1.574 -9.346 0.876 1.00 0.00 C ATOM 1054 C LYS A 62 0.941 -9.984 2.113 1.00 0.00 C ATOM 1055 O LYS A 62 0.206 -10.967 2.007 1.00 0.00 O ATOM 1056 CB LYS A 62 3.050 -9.758 0.703 1.00 0.00 C ATOM 1057 CG LYS A 62 3.810 -10.033 1.997 1.00 0.00 C ATOM 1058 CD LYS A 62 3.700 -11.492 2.408 1.00 0.00 C ATOM 1059 CE LYS A 62 4.330 -12.411 1.374 1.00 0.00 C ATOM 1060 NZ LYS A 62 5.422 -13.238 1.959 1.00 0.00 N ATOM 0 H LYS A 62 2.327 -7.390 0.975 1.00 0.00 H new ATOM 0 HA LYS A 62 1.038 -9.714 0.001 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.089 -10.653 0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.568 -8.969 0.158 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.859 -9.769 1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.418 -9.399 2.792 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.189 -11.638 3.371 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.651 -11.756 2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.565 -13.064 0.954 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.726 -11.815 0.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.826 -13.851 1.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.164 -12.616 2.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.039 -13.826 2.727 1.00 0.00 H new ATOM 1074 N GLU A 63 1.190 -9.391 3.279 1.00 0.00 N ATOM 1075 CA GLU A 63 0.573 -9.868 4.509 1.00 0.00 C ATOM 1076 C GLU A 63 -0.940 -9.812 4.364 1.00 0.00 C ATOM 1077 O GLU A 63 -1.661 -10.670 4.873 1.00 0.00 O ATOM 1078 CB GLU A 63 1.022 -9.032 5.700 1.00 0.00 C ATOM 1079 CG GLU A 63 2.482 -8.613 5.633 1.00 0.00 C ATOM 1080 CD GLU A 63 3.068 -8.322 7.000 1.00 0.00 C ATOM 1081 OE1 GLU A 63 2.976 -9.198 7.885 1.00 0.00 O ATOM 1082 OE2 GLU A 63 3.621 -7.217 7.185 1.00 0.00 O ATOM 0 H GLU A 63 1.808 -8.588 3.395 1.00 0.00 H new ATOM 0 HA GLU A 63 0.884 -10.897 4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.399 -8.140 5.763 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.857 -9.601 6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.061 -9.403 5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.573 -7.726 5.006 1.00 0.00 H new ATOM 1089 N LEU A 64 -1.405 -8.803 3.635 1.00 0.00 N ATOM 1090 CA LEU A 64 -2.824 -8.642 3.361 1.00 0.00 C ATOM 1091 C LEU A 64 -3.321 -9.779 2.479 1.00 0.00 C ATOM 1092 O LEU A 64 -4.444 -10.257 2.629 1.00 0.00 O ATOM 1093 CB LEU A 64 -3.077 -7.297 2.679 1.00 0.00 C ATOM 1094 CG LEU A 64 -3.945 -6.323 3.474 1.00 0.00 C ATOM 1095 CD1 LEU A 64 -3.811 -4.913 2.918 1.00 0.00 C ATOM 1096 CD2 LEU A 64 -5.398 -6.774 3.461 1.00 0.00 C ATOM 0 H LEU A 64 -0.814 -8.082 3.222 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.369 -8.667 4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.117 -6.823 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.551 -7.479 1.715 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.600 -6.315 4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.436 -4.233 3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.771 -4.594 2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.130 -4.901 1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.003 -6.069 4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.758 -6.812 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.476 -7.765 3.909 1.00 0.00 H new ATOM 1108 N LEU A 65 -2.464 -10.214 1.565 1.00 0.00 N ATOM 1109 CA LEU A 65 -2.799 -11.294 0.649 1.00 0.00 C ATOM 1110 C LEU A 65 -3.155 -12.569 1.404 1.00 0.00 C ATOM 1111 O LEU A 65 -4.133 -13.244 1.082 1.00 0.00 O ATOM 1112 CB LEU A 65 -1.618 -11.564 -0.283 1.00 0.00 C ATOM 1113 CG LEU A 65 -1.956 -11.560 -1.773 1.00 0.00 C ATOM 1114 CD1 LEU A 65 -1.345 -10.343 -2.446 1.00 0.00 C ATOM 1115 CD2 LEU A 65 -1.472 -12.843 -2.430 1.00 0.00 C ATOM 0 H LEU A 65 -1.527 -9.832 1.439 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.668 -10.988 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.850 -10.813 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.186 -12.531 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.039 -11.508 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.593 -10.351 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.741 -9.437 -1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.262 -10.366 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.720 -12.825 -3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.392 -12.927 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.956 -13.698 -1.959 1.00 0.00 H new ATOM 1127 N LYS A 66 -2.341 -12.903 2.398 1.00 0.00 N ATOM 1128 CA LYS A 66 -2.539 -14.119 3.177 1.00 0.00 C ATOM 1129 C LYS A 66 -3.784 -14.038 4.055 1.00 0.00 C ATOM 1130 O LYS A 66 -4.521 -15.014 4.188 1.00 0.00 O ATOM 1131 CB LYS A 66 -1.311 -14.388 4.047 1.00 0.00 C ATOM 1132 CG LYS A 66 -1.405 -15.672 4.853 1.00 0.00 C ATOM 1133 CD LYS A 66 -1.166 -15.421 6.333 1.00 0.00 C ATOM 1134 CE LYS A 66 0.306 -15.185 6.627 1.00 0.00 C ATOM 1135 NZ LYS A 66 0.514 -14.569 7.966 1.00 0.00 N ATOM 0 H LYS A 66 -1.535 -12.347 2.684 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.681 -14.939 2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.428 -14.433 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.169 -13.550 4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.389 -16.119 4.713 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.673 -16.390 4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.746 -14.556 6.655 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.521 -16.275 6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.843 -16.132 6.576 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.730 -14.537 5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.531 -14.425 8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.024 -13.653 8.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.133 -15.199 8.701 1.00 0.00 H new ATOM 1149 N ARG A 67 -4.001 -12.883 4.678 1.00 0.00 N ATOM 1150 CA ARG A 67 -5.138 -12.713 5.576 1.00 0.00 C ATOM 1151 C ARG A 67 -6.450 -12.557 4.808 1.00 0.00 C ATOM 1152 O ARG A 67 -7.480 -13.094 5.217 1.00 0.00 O ATOM 1153 CB ARG A 67 -4.918 -11.522 6.504 1.00 0.00 C ATOM 1154 CG ARG A 67 -4.885 -10.201 5.775 1.00 0.00 C ATOM 1155 CD ARG A 67 -4.088 -9.160 6.547 1.00 0.00 C ATOM 1156 NE ARG A 67 -4.485 -9.096 7.950 1.00 0.00 N ATOM 1157 CZ ARG A 67 -4.262 -8.045 8.732 1.00 0.00 C ATOM 1158 NH1 ARG A 67 -3.648 -6.973 8.249 1.00 0.00 N ATOM 1159 NH2 ARG A 67 -4.653 -8.063 9.999 1.00 0.00 N ATOM 0 H ARG A 67 -3.410 -12.058 4.579 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.215 -13.618 6.178 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -5.713 -11.499 7.250 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.980 -11.657 7.042 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.445 -10.340 4.788 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.903 -9.842 5.623 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.026 -9.395 6.481 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.227 -8.182 6.086 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.960 -9.903 8.353 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.346 -6.954 7.275 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.478 -6.168 8.852 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.126 -8.885 10.375 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.481 -7.255 10.597 1.00 0.00 H new ATOM 1173 N VAL A 68 -6.414 -11.829 3.695 1.00 0.00 N ATOM 1174 CA VAL A 68 -7.612 -11.627 2.884 1.00 0.00 C ATOM 1175 C VAL A 68 -7.952 -12.883 2.089 1.00 0.00 C ATOM 1176 O VAL A 68 -9.117 -13.146 1.795 1.00 0.00 O ATOM 1177 CB VAL A 68 -7.460 -10.442 1.911 1.00 0.00 C ATOM 1178 CG1 VAL A 68 -8.796 -10.114 1.261 1.00 0.00 C ATOM 1179 CG2 VAL A 68 -6.902 -9.226 2.634 1.00 0.00 C ATOM 0 H VAL A 68 -5.576 -11.372 3.336 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.421 -11.403 3.579 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.757 -10.726 1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.671 -9.275 0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.155 -10.982 0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.520 -9.849 2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.802 -8.399 1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.579 -8.938 3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.925 -9.468 3.052 1.00 0.00 H new ATOM 1189 N ALA A 69 -6.927 -13.653 1.740 1.00 0.00 N ATOM 1190 CA ALA A 69 -7.119 -14.883 0.982 1.00 0.00 C ATOM 1191 C ALA A 69 -7.896 -15.911 1.798 1.00 0.00 C ATOM 1192 O ALA A 69 -7.676 -16.059 3.000 1.00 0.00 O ATOM 1193 CB ALA A 69 -5.776 -15.453 0.551 1.00 0.00 C ATOM 0 H ALA A 69 -5.955 -13.447 1.970 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.702 -14.647 0.092 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.935 -16.371 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.257 -14.727 -0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.173 -15.669 1.433 1.00 0.00 H new ATOM 1199 N GLY A 70 -8.809 -16.615 1.137 1.00 0.00 N ATOM 1200 CA GLY A 70 -9.606 -17.618 1.820 1.00 0.00 C ATOM 1201 C GLY A 70 -9.031 -19.013 1.679 1.00 0.00 C ATOM 1202 O GLY A 70 -9.767 -19.999 1.685 1.00 0.00 O ATOM 0 H GLY A 70 -9.011 -16.510 0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.676 -17.363 2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.620 -17.605 1.421 1.00 0.00 H new ATOM 1206 N LYS A 71 -7.710 -19.096 1.554 1.00 0.00 N ATOM 1207 CA LYS A 71 -7.035 -20.380 1.412 1.00 0.00 C ATOM 1208 C LYS A 71 -6.064 -20.614 2.564 1.00 0.00 C ATOM 1209 O LYS A 71 -6.246 -21.530 3.367 1.00 0.00 O ATOM 1210 CB LYS A 71 -6.285 -20.440 0.079 1.00 0.00 C ATOM 1211 CG LYS A 71 -7.037 -21.187 -1.011 1.00 0.00 C ATOM 1212 CD LYS A 71 -6.095 -21.708 -2.083 1.00 0.00 C ATOM 1213 CE LYS A 71 -5.414 -22.996 -1.648 1.00 0.00 C ATOM 1214 NZ LYS A 71 -4.774 -23.701 -2.793 1.00 0.00 N ATOM 0 H LYS A 71 -7.086 -18.289 1.548 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.791 -21.164 1.432 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.084 -19.424 -0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.319 -20.920 0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.585 -22.020 -0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.775 -20.525 -1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.651 -21.882 -3.004 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.341 -20.953 -2.304 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.660 -22.771 -0.893 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.147 -23.654 -1.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.321 -24.574 -2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.497 -23.939 -3.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.057 -23.083 -3.224 1.00 0.00 H new ATOM 1228 N LYS A 72 -5.032 -19.781 2.640 1.00 0.00 N ATOM 1229 CA LYS A 72 -4.031 -19.898 3.693 1.00 0.00 C ATOM 1230 C LYS A 72 -3.564 -18.521 4.157 1.00 0.00 C ATOM 1231 O LYS A 72 -2.871 -17.838 3.374 1.00 0.00 O ATOM 1232 CB LYS A 72 -2.836 -20.714 3.199 1.00 0.00 C ATOM 1233 CG LYS A 72 -2.747 -22.098 3.820 1.00 0.00 C ATOM 1234 CD LYS A 72 -2.266 -22.032 5.261 1.00 0.00 C ATOM 1235 CE LYS A 72 -0.884 -21.409 5.359 1.00 0.00 C ATOM 1236 NZ LYS A 72 -0.949 -19.964 5.714 1.00 0.00 N ATOM 0 H LYS A 72 -4.867 -19.017 1.984 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.488 -20.410 4.539 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.898 -20.814 2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.918 -20.167 3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.725 -22.578 3.783 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.066 -22.717 3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.971 -21.450 5.855 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.244 -23.036 5.685 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.299 -21.941 6.109 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.365 -21.526 4.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.569 -19.396 4.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.938 -19.694 5.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.386 -19.791 6.571 1.00 0.00 H new TER 1250 LYS A 72