USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 753 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 86 ASN : amide:sc= -1.1 K(o=-0.54,f=-8.4!) USER MOD Set 1.2: A 89 SER OG : rot -3:sc= 0.56 USER MOD Set 2.1: A 82 GLN : amide:sc= -1.76! X(o=-2.3!,f=-2.7) USER MOD Set 2.2: A 84 GLN : amide:sc= -0.496 X(o=-2.3,f=-2.7!) USER MOD Set 3.1: A 77 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 78 ASN : amide:sc= -4.7! C(o=-4.7!,f=-5.3!) USER MOD Single : A 4 GLN : amide:sc= -2.35! K(o=-2.4!,f=-1.3) USER MOD Single : A 6 THR OG1 : rot -150:sc= -0.44 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.61 K(o=-1.6,f=-4!) USER MOD Single : A 16 GLN : amide:sc= -1.51! K(o=-1.5!,f=-2.1) USER MOD Single : A 19 ASN : amide:sc= -8.14! K(o=-8.1!,f=-4.7) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -120:sc= -5.01! (180deg=-10.8!) USER MOD Single : A 26 GLN : amide:sc= -1.02 K(o=-1,f=-1.9!) USER MOD Single : A 36 SER OG : rot -74:sc= -0.362! USER MOD Single : A 37 GLN : amide:sc= -2.6! K(o=-2.6!,f=-1.6) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -132:sc= -0.387 (180deg=-0.938) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 147:sc= 0.936 (180deg=-0.369!) USER MOD Single : A 55 ASN : amide:sc= -0.0465 X(o=-0.046,f=-0.088) USER MOD Single : A 63 GLN : amide:sc= -1.23 K(o=-1.2,f=0) USER MOD Single : A 66 SER OG : rot 90:sc= 0 USER MOD Single : A 67 TYR OH : rot 30:sc= -0.02 USER MOD Single : A 71 SER OG : rot -68:sc= 0.944 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 -7.442 11.416 -12.461 1.00 0.00 N ATOM 36 CA PRO A 3 -7.465 10.438 -11.332 1.00 0.00 C ATOM 37 C PRO A 3 -7.707 11.124 -9.982 1.00 0.00 C ATOM 38 O PRO A 3 -7.322 12.258 -9.769 1.00 0.00 O ATOM 39 CB PRO A 3 -6.069 9.779 -11.376 1.00 0.00 C ATOM 40 CG PRO A 3 -5.530 10.082 -12.740 1.00 0.00 C ATOM 41 CD PRO A 3 -6.143 11.419 -13.148 1.00 0.00 C ATOM 0 HA PRO A 3 -8.277 9.718 -11.434 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.420 10.181 -10.598 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.136 8.704 -11.210 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.442 10.140 -12.725 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.798 9.298 -13.448 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -5.523 12.259 -12.834 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.259 11.496 -14.229 1.00 0.00 H new ATOM 49 N GLN A 4 -8.349 10.446 -9.077 1.00 0.00 N ATOM 50 CA GLN A 4 -8.623 11.049 -7.744 1.00 0.00 C ATOM 51 C GLN A 4 -7.356 10.967 -6.886 1.00 0.00 C ATOM 52 O GLN A 4 -6.887 9.895 -6.552 1.00 0.00 O ATOM 53 CB GLN A 4 -9.768 10.282 -7.064 1.00 0.00 C ATOM 54 CG GLN A 4 -9.649 8.787 -7.380 1.00 0.00 C ATOM 55 CD GLN A 4 -10.685 8.005 -6.573 1.00 0.00 C ATOM 56 OE1 GLN A 4 -10.875 6.823 -6.788 1.00 0.00 O ATOM 57 NE2 GLN A 4 -11.376 8.617 -5.651 1.00 0.00 N ATOM 0 H GLN A 4 -8.698 9.496 -9.202 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.913 12.093 -7.861 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.734 10.439 -5.986 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.729 10.661 -7.411 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.801 8.618 -8.446 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.646 8.434 -7.141 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -11.218 9.608 -5.469 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.074 8.104 -5.112 1.00 0.00 H new ATOM 66 N LEU A 5 -6.792 12.091 -6.533 1.00 0.00 N ATOM 67 CA LEU A 5 -5.550 12.081 -5.706 1.00 0.00 C ATOM 68 C LEU A 5 -5.922 12.025 -4.226 1.00 0.00 C ATOM 69 O LEU A 5 -6.688 12.831 -3.737 1.00 0.00 O ATOM 70 CB LEU A 5 -4.758 13.364 -5.977 1.00 0.00 C ATOM 71 CG LEU A 5 -4.474 13.490 -7.478 1.00 0.00 C ATOM 72 CD1 LEU A 5 -3.721 14.799 -7.739 1.00 0.00 C ATOM 73 CD2 LEU A 5 -3.628 12.298 -7.958 1.00 0.00 C ATOM 0 H LEU A 5 -7.138 13.018 -6.782 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.947 11.210 -5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.321 14.230 -5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.821 13.349 -5.420 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.417 13.493 -8.025 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.516 14.894 -8.805 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.330 15.641 -7.410 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.781 14.794 -7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.432 12.397 -9.026 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.683 12.281 -7.416 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.169 11.370 -7.773 1.00 0.00 H new ATOM 85 N THR A 6 -5.378 11.072 -3.512 1.00 0.00 N ATOM 86 CA THR A 6 -5.677 10.932 -2.051 1.00 0.00 C ATOM 87 C THR A 6 -4.371 11.045 -1.271 1.00 0.00 C ATOM 88 O THR A 6 -3.357 10.493 -1.653 1.00 0.00 O ATOM 89 CB THR A 6 -6.316 9.569 -1.791 1.00 0.00 C ATOM 90 OG1 THR A 6 -7.566 9.505 -2.462 1.00 0.00 O ATOM 91 CG2 THR A 6 -6.532 9.379 -0.287 1.00 0.00 C ATOM 0 H THR A 6 -4.731 10.376 -3.883 1.00 0.00 H new ATOM 0 HA THR A 6 -6.366 11.715 -1.734 1.00 0.00 H new ATOM 0 HB THR A 6 -5.659 8.781 -2.161 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.173 8.916 -1.967 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.988 8.406 -0.105 1.00 0.00 H new ATOM 0 HG22 THR A 6 -5.573 9.432 0.228 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.189 10.163 0.088 1.00 0.00 H new ATOM 99 N LYS A 7 -4.377 11.769 -0.186 1.00 0.00 N ATOM 100 CA LYS A 7 -3.135 11.940 0.618 1.00 0.00 C ATOM 101 C LYS A 7 -3.112 10.933 1.768 1.00 0.00 C ATOM 102 O LYS A 7 -4.135 10.552 2.298 1.00 0.00 O ATOM 103 CB LYS A 7 -3.125 13.354 1.200 1.00 0.00 C ATOM 104 CG LYS A 7 -3.093 14.377 0.062 1.00 0.00 C ATOM 105 CD LYS A 7 -3.093 15.806 0.631 1.00 0.00 C ATOM 106 CE LYS A 7 -4.491 16.186 1.142 1.00 0.00 C ATOM 107 NZ LYS A 7 -4.542 17.659 1.379 1.00 0.00 N ATOM 0 H LYS A 7 -5.196 12.253 0.181 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.264 11.778 -0.018 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.009 13.510 1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.257 13.486 1.846 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.205 14.222 -0.551 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.957 14.236 -0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.371 15.879 1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.778 16.510 -0.139 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.249 15.896 0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.713 15.649 2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.487 17.922 1.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.828 17.921 2.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.347 18.161 0.489 1.00 0.00 H new ATOM 121 N ILE A 8 -1.945 10.504 2.149 1.00 0.00 N ATOM 122 CA ILE A 8 -1.825 9.516 3.263 1.00 0.00 C ATOM 123 C ILE A 8 -2.532 10.067 4.502 1.00 0.00 C ATOM 124 O ILE A 8 -3.251 9.368 5.186 1.00 0.00 O ATOM 125 CB ILE A 8 -0.345 9.310 3.581 1.00 0.00 C ATOM 126 CG1 ILE A 8 0.383 8.814 2.329 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.195 8.281 4.703 1.00 0.00 C ATOM 128 CD1 ILE A 8 1.891 8.960 2.531 1.00 0.00 C ATOM 0 H ILE A 8 -1.059 10.795 1.736 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.280 8.569 2.972 1.00 0.00 H new ATOM 0 HB ILE A 8 0.089 10.257 3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.130 7.772 2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.064 9.386 1.458 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.862 8.138 4.926 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.709 8.638 5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.631 7.333 4.388 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.413 8.608 1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.135 10.008 2.704 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.202 8.368 3.392 1.00 0.00 H new ATOM 140 N VAL A 9 -2.336 11.321 4.786 1.00 0.00 N ATOM 141 CA VAL A 9 -3.002 11.934 5.969 1.00 0.00 C ATOM 142 C VAL A 9 -4.519 12.013 5.722 1.00 0.00 C ATOM 143 O VAL A 9 -5.294 12.255 6.626 1.00 0.00 O ATOM 144 CB VAL A 9 -2.437 13.342 6.194 1.00 0.00 C ATOM 145 CG1 VAL A 9 -2.857 14.256 5.039 1.00 0.00 C ATOM 146 CG2 VAL A 9 -2.971 13.904 7.514 1.00 0.00 C ATOM 0 H VAL A 9 -1.741 11.952 4.249 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.816 11.324 6.853 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.349 13.292 6.236 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.454 15.256 5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.471 13.857 4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.945 14.306 4.992 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.569 14.905 7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.059 13.952 7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.666 13.256 8.335 1.00 0.00 H new ATOM 156 N ASP A 10 -4.945 11.815 4.498 1.00 0.00 N ATOM 157 CA ASP A 10 -6.409 11.878 4.173 1.00 0.00 C ATOM 158 C ASP A 10 -6.999 10.468 4.197 1.00 0.00 C ATOM 159 O ASP A 10 -8.148 10.261 3.858 1.00 0.00 O ATOM 160 CB ASP A 10 -6.582 12.492 2.779 1.00 0.00 C ATOM 161 CG ASP A 10 -8.069 12.611 2.434 1.00 0.00 C ATOM 162 OD1 ASP A 10 -8.882 12.449 3.329 1.00 0.00 O ATOM 163 OD2 ASP A 10 -8.369 12.863 1.278 1.00 0.00 O ATOM 0 H ASP A 10 -4.339 11.611 3.703 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.928 12.492 4.910 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.114 13.476 2.746 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.077 11.874 2.036 1.00 0.00 H new ATOM 168 N ILE A 11 -6.224 9.493 4.585 1.00 0.00 N ATOM 169 CA ILE A 11 -6.745 8.101 4.632 1.00 0.00 C ATOM 170 C ILE A 11 -7.989 8.060 5.519 1.00 0.00 C ATOM 171 O ILE A 11 -9.097 7.929 5.039 1.00 0.00 O ATOM 172 CB ILE A 11 -5.667 7.183 5.228 1.00 0.00 C ATOM 173 CG1 ILE A 11 -4.493 7.035 4.236 1.00 0.00 C ATOM 174 CG2 ILE A 11 -6.271 5.812 5.559 1.00 0.00 C ATOM 175 CD1 ILE A 11 -4.740 5.898 3.240 1.00 0.00 C ATOM 0 H ILE A 11 -5.251 9.602 4.872 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.001 7.766 3.627 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.288 7.626 6.149 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.353 7.970 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.572 6.844 4.787 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.500 5.167 5.981 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.077 5.935 6.282 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.665 5.359 4.649 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.894 5.822 2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.855 4.959 3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.648 6.103 2.672 1.00 0.00 H new ATOM 187 N VAL A 12 -7.813 8.185 6.807 1.00 0.00 N ATOM 188 CA VAL A 12 -8.971 8.158 7.743 1.00 0.00 C ATOM 189 C VAL A 12 -9.690 6.804 7.682 1.00 0.00 C ATOM 190 O VAL A 12 -10.218 6.337 8.671 1.00 0.00 O ATOM 191 CB VAL A 12 -9.961 9.278 7.392 1.00 0.00 C ATOM 192 CG1 VAL A 12 -10.879 9.537 8.584 1.00 0.00 C ATOM 193 CG2 VAL A 12 -9.195 10.560 7.063 1.00 0.00 C ATOM 0 H VAL A 12 -6.904 8.306 7.255 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.593 8.310 8.754 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.553 8.975 6.528 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.582 10.332 8.336 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.430 8.627 8.824 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.282 9.837 9.445 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.901 11.352 6.814 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.601 10.861 7.926 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.536 10.382 6.213 1.00 0.00 H new ATOM 203 N GLU A 13 -9.714 6.163 6.542 1.00 0.00 N ATOM 204 CA GLU A 13 -10.399 4.841 6.438 1.00 0.00 C ATOM 205 C GLU A 13 -9.635 3.961 5.446 1.00 0.00 C ATOM 206 O GLU A 13 -9.058 4.440 4.490 1.00 0.00 O ATOM 207 CB GLU A 13 -11.838 5.048 5.953 1.00 0.00 C ATOM 208 CG GLU A 13 -12.590 3.713 5.973 1.00 0.00 C ATOM 209 CD GLU A 13 -12.766 3.249 7.421 1.00 0.00 C ATOM 210 OE1 GLU A 13 -12.689 4.087 8.304 1.00 0.00 O ATOM 211 OE2 GLU A 13 -12.972 2.063 7.621 1.00 0.00 O ATOM 0 H GLU A 13 -9.288 6.499 5.678 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.420 4.355 7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.346 5.771 6.591 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.836 5.459 4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.563 3.824 5.495 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.039 2.964 5.404 1.00 0.00 H new ATOM 218 N ASN A 14 -9.633 2.673 5.675 1.00 0.00 N ATOM 219 CA ASN A 14 -8.910 1.735 4.755 1.00 0.00 C ATOM 220 C ASN A 14 -9.896 1.038 3.813 1.00 0.00 C ATOM 221 O ASN A 14 -11.099 1.161 3.946 1.00 0.00 O ATOM 222 CB ASN A 14 -8.162 0.689 5.577 1.00 0.00 C ATOM 223 CG ASN A 14 -9.133 -0.024 6.516 1.00 0.00 C ATOM 224 OD1 ASN A 14 -10.187 -0.464 6.103 1.00 0.00 O ATOM 225 ND2 ASN A 14 -8.816 -0.155 7.774 1.00 0.00 N ATOM 0 H ASN A 14 -10.102 2.226 6.462 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.202 2.309 4.157 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.685 -0.034 4.915 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.369 1.165 6.153 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -9.454 -0.628 8.414 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.930 0.216 8.118 1.00 0.00 H new ATOM 232 N GLY A 15 -9.385 0.298 2.867 1.00 0.00 N ATOM 233 CA GLY A 15 -10.272 -0.428 1.913 1.00 0.00 C ATOM 234 C GLY A 15 -10.913 0.567 0.944 1.00 0.00 C ATOM 235 O GLY A 15 -11.941 0.299 0.356 1.00 0.00 O ATOM 0 H GLY A 15 -8.386 0.164 2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.697 -1.170 1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.045 -0.968 2.460 1.00 0.00 H new ATOM 239 N GLN A 16 -10.314 1.719 0.778 1.00 0.00 N ATOM 240 CA GLN A 16 -10.886 2.743 -0.150 1.00 0.00 C ATOM 241 C GLN A 16 -10.154 2.700 -1.490 1.00 0.00 C ATOM 242 O GLN A 16 -8.966 2.443 -1.558 1.00 0.00 O ATOM 243 CB GLN A 16 -10.728 4.128 0.480 1.00 0.00 C ATOM 244 CG GLN A 16 -11.682 4.243 1.669 1.00 0.00 C ATOM 245 CD GLN A 16 -11.482 5.588 2.366 1.00 0.00 C ATOM 246 OE1 GLN A 16 -12.361 6.427 2.353 1.00 0.00 O ATOM 247 NE2 GLN A 16 -10.360 5.830 2.983 1.00 0.00 N ATOM 0 H GLN A 16 -9.451 1.996 1.246 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.942 2.532 -0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.699 4.278 0.806 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.946 4.903 -0.255 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.714 4.149 1.330 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.502 3.429 2.371 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.622 5.126 2.994 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.220 6.723 3.455 1.00 0.00 H new ATOM 256 N TRP A 17 -10.863 2.954 -2.561 1.00 0.00 N ATOM 257 CA TRP A 17 -10.232 2.940 -3.913 1.00 0.00 C ATOM 258 C TRP A 17 -9.811 4.365 -4.274 1.00 0.00 C ATOM 259 O TRP A 17 -10.605 5.285 -4.255 1.00 0.00 O ATOM 260 CB TRP A 17 -11.250 2.427 -4.933 1.00 0.00 C ATOM 261 CG TRP A 17 -11.534 0.985 -4.659 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.559 0.524 -3.904 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.806 -0.189 -5.120 1.00 0.00 C ATOM 264 NE1 TRP A 17 -12.503 -0.858 -3.871 1.00 0.00 N ATOM 265 CE2 TRP A 17 -11.441 -1.344 -4.606 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.666 -0.361 -5.926 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.962 -2.626 -4.884 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -9.182 -1.648 -6.207 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.828 -2.778 -5.687 1.00 0.00 C ATOM 0 H TRP A 17 -11.859 3.172 -2.555 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.358 2.289 -3.916 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.169 3.009 -4.872 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -10.862 2.548 -5.945 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.299 1.135 -3.409 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -13.166 -1.446 -3.365 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.160 0.503 -6.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -11.464 -3.493 -4.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.306 -1.768 -6.828 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -9.450 -3.765 -5.907 1.00 0.00 H new ATOM 280 N ALA A 18 -8.569 4.550 -4.620 1.00 0.00 N ATOM 281 CA ALA A 18 -8.101 5.908 -5.005 1.00 0.00 C ATOM 282 C ALA A 18 -6.781 5.801 -5.773 1.00 0.00 C ATOM 283 O ALA A 18 -6.346 4.725 -6.136 1.00 0.00 O ATOM 284 CB ALA A 18 -7.915 6.766 -3.751 1.00 0.00 C ATOM 0 H ALA A 18 -7.858 3.819 -4.653 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.846 6.379 -5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.572 7.760 -4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.865 6.848 -3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.176 6.301 -3.099 1.00 0.00 H new ATOM 290 N ASN A 19 -6.137 6.917 -6.006 1.00 0.00 N ATOM 291 CA ASN A 19 -4.825 6.920 -6.733 1.00 0.00 C ATOM 292 C ASN A 19 -3.796 7.657 -5.877 1.00 0.00 C ATOM 293 O ASN A 19 -4.120 8.618 -5.207 1.00 0.00 O ATOM 294 CB ASN A 19 -4.977 7.641 -8.072 1.00 0.00 C ATOM 295 CG ASN A 19 -6.118 7.002 -8.861 1.00 0.00 C ATOM 296 OD1 ASN A 19 -5.956 6.650 -10.013 1.00 0.00 O ATOM 297 ND2 ASN A 19 -7.276 6.837 -8.285 1.00 0.00 N ATOM 0 H ASN A 19 -6.467 7.839 -5.721 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.501 5.895 -6.915 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.181 8.699 -7.908 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.048 7.580 -8.639 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.046 6.412 -8.801 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.411 7.133 -7.318 1.00 0.00 H new ATOM 304 N LEU A 20 -2.559 7.219 -5.886 1.00 0.00 N ATOM 305 CA LEU A 20 -1.508 7.904 -5.066 1.00 0.00 C ATOM 306 C LEU A 20 -0.254 8.117 -5.910 1.00 0.00 C ATOM 307 O LEU A 20 0.249 7.206 -6.540 1.00 0.00 O ATOM 308 CB LEU A 20 -1.153 7.035 -3.850 1.00 0.00 C ATOM 309 CG LEU A 20 -0.041 7.704 -3.021 1.00 0.00 C ATOM 310 CD1 LEU A 20 -0.480 9.109 -2.571 1.00 0.00 C ATOM 311 CD2 LEU A 20 0.263 6.835 -1.793 1.00 0.00 C ATOM 0 H LEU A 20 -2.232 6.417 -6.425 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.891 8.867 -4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.037 6.885 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.826 6.050 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 20 0.855 7.801 -3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.316 9.569 -1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.688 9.723 -3.447 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.380 9.031 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.050 7.303 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.637 6.736 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.592 5.848 -2.118 1.00 0.00 H new ATOM 323 N LYS A 21 0.265 9.317 -5.902 1.00 0.00 N ATOM 324 CA LYS A 21 1.506 9.628 -6.674 1.00 0.00 C ATOM 325 C LYS A 21 2.609 10.012 -5.687 1.00 0.00 C ATOM 326 O LYS A 21 2.413 10.835 -4.815 1.00 0.00 O ATOM 327 CB LYS A 21 1.235 10.792 -7.625 1.00 0.00 C ATOM 328 CG LYS A 21 2.478 11.045 -8.479 1.00 0.00 C ATOM 329 CD LYS A 21 2.165 12.081 -9.566 1.00 0.00 C ATOM 330 CE LYS A 21 1.896 13.446 -8.930 1.00 0.00 C ATOM 331 NZ LYS A 21 2.013 14.509 -9.969 1.00 0.00 N ATOM 0 H LYS A 21 -0.124 10.106 -5.386 1.00 0.00 H new ATOM 0 HA LYS A 21 1.815 8.760 -7.256 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.381 10.564 -8.263 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.980 11.688 -7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.295 11.400 -7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.810 10.114 -8.937 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.001 12.154 -10.261 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.297 11.763 -10.143 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.900 13.463 -8.487 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.606 13.630 -8.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.830 15.438 -9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.972 14.497 -10.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.319 14.335 -10.723 1.00 0.00 H new ATOM 345 N ALA A 22 3.762 9.420 -5.825 1.00 0.00 N ATOM 346 CA ALA A 22 4.877 9.754 -4.887 1.00 0.00 C ATOM 347 C ALA A 22 6.189 9.104 -5.332 1.00 0.00 C ATOM 348 O ALA A 22 6.287 8.515 -6.390 1.00 0.00 O ATOM 349 CB ALA A 22 4.529 9.269 -3.474 1.00 0.00 C ATOM 0 H ALA A 22 3.983 8.725 -6.539 1.00 0.00 H new ATOM 0 HA ALA A 22 5.007 10.836 -4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.345 9.515 -2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.615 9.758 -3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.380 8.189 -3.486 1.00 0.00 H new ATOM 355 N LYS A 23 7.193 9.233 -4.504 1.00 0.00 N ATOM 356 CA LYS A 23 8.541 8.651 -4.819 1.00 0.00 C ATOM 357 C LYS A 23 8.869 7.546 -3.830 1.00 0.00 C ATOM 358 O LYS A 23 8.449 7.570 -2.699 1.00 0.00 O ATOM 359 CB LYS A 23 9.601 9.748 -4.755 1.00 0.00 C ATOM 360 CG LYS A 23 10.970 9.166 -5.120 1.00 0.00 C ATOM 361 CD LYS A 23 12.014 10.286 -5.108 1.00 0.00 C ATOM 362 CE LYS A 23 11.723 11.301 -6.226 1.00 0.00 C ATOM 363 NZ LYS A 23 10.840 12.375 -5.689 1.00 0.00 N ATOM 0 H LYS A 23 7.140 9.722 -3.611 1.00 0.00 H new ATOM 0 HA LYS A 23 8.527 8.230 -5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.344 10.556 -5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.633 10.178 -3.754 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.248 8.386 -4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.930 8.701 -6.105 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.007 10.788 -4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.010 9.865 -5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.654 11.730 -6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.242 10.805 -7.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.952 12.398 -6.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.631 12.184 -4.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.320 13.294 -5.773 1.00 0.00 H new ATOM 377 N VAL A 24 9.610 6.560 -4.255 1.00 0.00 N ATOM 378 CA VAL A 24 9.952 5.436 -3.334 1.00 0.00 C ATOM 379 C VAL A 24 11.255 5.741 -2.586 1.00 0.00 C ATOM 380 O VAL A 24 12.286 5.991 -3.180 1.00 0.00 O ATOM 381 CB VAL A 24 10.116 4.161 -4.159 1.00 0.00 C ATOM 382 CG1 VAL A 24 10.683 3.039 -3.286 1.00 0.00 C ATOM 383 CG2 VAL A 24 8.758 3.729 -4.712 1.00 0.00 C ATOM 0 H VAL A 24 9.993 6.483 -5.197 1.00 0.00 H new ATOM 0 HA VAL A 24 9.155 5.308 -2.602 1.00 0.00 H new ATOM 0 HB VAL A 24 10.803 4.360 -4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.796 2.135 -3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.655 3.339 -2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.002 2.843 -2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.877 2.819 -5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.072 3.540 -3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.355 4.520 -5.345 1.00 0.00 H new ATOM 393 N ILE A 25 11.209 5.719 -1.280 1.00 0.00 N ATOM 394 CA ILE A 25 12.433 6.004 -0.473 1.00 0.00 C ATOM 395 C ILE A 25 13.225 4.715 -0.228 1.00 0.00 C ATOM 396 O ILE A 25 14.402 4.749 0.071 1.00 0.00 O ATOM 397 CB ILE A 25 12.019 6.608 0.868 1.00 0.00 C ATOM 398 CG1 ILE A 25 10.862 5.796 1.452 1.00 0.00 C ATOM 399 CG2 ILE A 25 11.581 8.058 0.660 1.00 0.00 C ATOM 400 CD1 ILE A 25 10.619 6.225 2.897 1.00 0.00 C ATOM 0 H ILE A 25 10.372 5.515 -0.734 1.00 0.00 H new ATOM 0 HA ILE A 25 13.064 6.704 -1.020 1.00 0.00 H new ATOM 0 HB ILE A 25 12.862 6.584 1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.960 5.949 0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.093 4.732 1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.285 8.490 1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.409 8.632 0.243 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.736 8.088 -0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.795 5.647 3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.520 6.049 3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.369 7.286 2.925 1.00 0.00 H new ATOM 412 N GLN A 26 12.596 3.580 -0.358 1.00 0.00 N ATOM 413 CA GLN A 26 13.326 2.297 -0.138 1.00 0.00 C ATOM 414 C GLN A 26 12.507 1.133 -0.703 1.00 0.00 C ATOM 415 O GLN A 26 11.296 1.211 -0.817 1.00 0.00 O ATOM 416 CB GLN A 26 13.552 2.087 1.360 1.00 0.00 C ATOM 417 CG GLN A 26 14.338 0.793 1.583 1.00 0.00 C ATOM 418 CD GLN A 26 14.726 0.686 3.058 1.00 0.00 C ATOM 419 OE1 GLN A 26 14.677 1.659 3.782 1.00 0.00 O ATOM 420 NE2 GLN A 26 15.116 -0.464 3.537 1.00 0.00 N ATOM 0 H GLN A 26 11.611 3.484 -0.606 1.00 0.00 H new ATOM 0 HA GLN A 26 14.289 2.339 -0.647 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.098 2.933 1.778 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.595 2.037 1.879 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.736 -0.067 1.290 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.231 0.784 0.958 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.157 -1.282 2.929 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.379 -0.545 4.519 1.00 0.00 H new ATOM 429 N LEU A 27 13.165 0.056 -1.057 1.00 0.00 N ATOM 430 CA LEU A 27 12.454 -1.135 -1.627 1.00 0.00 C ATOM 431 C LEU A 27 12.778 -2.381 -0.804 1.00 0.00 C ATOM 432 O LEU A 27 13.831 -2.490 -0.206 1.00 0.00 O ATOM 433 CB LEU A 27 12.918 -1.357 -3.069 1.00 0.00 C ATOM 434 CG LEU A 27 12.392 -0.233 -3.973 1.00 0.00 C ATOM 435 CD1 LEU A 27 13.160 -0.250 -5.294 1.00 0.00 C ATOM 436 CD2 LEU A 27 10.901 -0.435 -4.278 1.00 0.00 C ATOM 0 H LEU A 27 14.176 -0.051 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 27 11.379 -0.954 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 27 14.007 -1.386 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.560 -2.321 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 27 12.529 0.718 -3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.790 0.546 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.222 -0.096 -5.100 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.017 -1.212 -5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.548 0.372 -4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.759 -1.390 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.335 -0.431 -3.346 1.00 0.00 H new ATOM 448 N TRP A 28 11.877 -3.327 -0.781 1.00 0.00 N ATOM 449 CA TRP A 28 12.108 -4.588 -0.018 1.00 0.00 C ATOM 450 C TRP A 28 11.636 -5.777 -0.865 1.00 0.00 C ATOM 451 O TRP A 28 10.456 -6.022 -1.015 1.00 0.00 O ATOM 452 CB TRP A 28 11.322 -4.531 1.300 1.00 0.00 C ATOM 453 CG TRP A 28 12.123 -3.797 2.327 1.00 0.00 C ATOM 454 CD1 TRP A 28 11.899 -2.527 2.736 1.00 0.00 C ATOM 455 CD2 TRP A 28 13.277 -4.271 3.073 1.00 0.00 C ATOM 456 NE1 TRP A 28 12.845 -2.193 3.689 1.00 0.00 N ATOM 457 CE2 TRP A 28 13.717 -3.237 3.931 1.00 0.00 C ATOM 458 CE3 TRP A 28 13.976 -5.491 3.087 1.00 0.00 C ATOM 459 CZ2 TRP A 28 14.815 -3.408 4.775 1.00 0.00 C ATOM 460 CZ3 TRP A 28 15.081 -5.665 3.934 1.00 0.00 C ATOM 461 CH2 TRP A 28 15.500 -4.626 4.777 1.00 0.00 C ATOM 0 H TRP A 28 10.980 -3.279 -1.264 1.00 0.00 H new ATOM 0 HA TRP A 28 13.168 -4.705 0.205 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.366 -4.032 1.144 1.00 0.00 H new ATOM 0 HB3 TRP A 28 11.102 -5.540 1.648 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.112 -1.880 2.378 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.893 -1.287 4.156 1.00 0.00 H new ATOM 0 HE3 TRP A 28 13.661 -6.298 2.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 15.133 -2.604 5.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 15.612 -6.605 3.937 1.00 0.00 H new ATOM 0 HH2 TRP A 28 16.351 -4.767 5.427 1.00 0.00 H new ATOM 472 N GLU A 29 12.563 -6.504 -1.421 1.00 0.00 N ATOM 473 CA GLU A 29 12.198 -7.677 -2.269 1.00 0.00 C ATOM 474 C GLU A 29 12.047 -8.918 -1.393 1.00 0.00 C ATOM 475 O GLU A 29 12.901 -9.212 -0.579 1.00 0.00 O ATOM 476 CB GLU A 29 13.304 -7.917 -3.295 1.00 0.00 C ATOM 477 CG GLU A 29 13.340 -6.748 -4.274 1.00 0.00 C ATOM 478 CD GLU A 29 14.493 -6.941 -5.259 1.00 0.00 C ATOM 479 OE1 GLU A 29 15.171 -7.949 -5.155 1.00 0.00 O ATOM 480 OE2 GLU A 29 14.678 -6.077 -6.099 1.00 0.00 O ATOM 0 H GLU A 29 13.565 -6.337 -1.325 1.00 0.00 H new ATOM 0 HA GLU A 29 11.255 -7.477 -2.779 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.267 -8.017 -2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.125 -8.850 -3.830 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.395 -6.682 -4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.464 -5.810 -3.732 1.00 0.00 H new ATOM 558 N ILE A 35 3.806 -13.032 -1.252 1.00 0.00 N ATOM 559 CA ILE A 35 4.094 -11.578 -1.431 1.00 0.00 C ATOM 560 C ILE A 35 5.190 -11.419 -2.481 1.00 0.00 C ATOM 561 O ILE A 35 6.156 -12.155 -2.504 1.00 0.00 O ATOM 562 CB ILE A 35 4.575 -10.987 -0.108 1.00 0.00 C ATOM 563 CG1 ILE A 35 3.528 -11.252 0.973 1.00 0.00 C ATOM 564 CG2 ILE A 35 4.745 -9.476 -0.267 1.00 0.00 C ATOM 565 CD1 ILE A 35 4.090 -10.855 2.339 1.00 0.00 C ATOM 0 HA ILE A 35 3.191 -11.059 -1.752 1.00 0.00 H new ATOM 0 HB ILE A 35 5.524 -11.444 0.173 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.621 -10.685 0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.251 -12.306 0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.088 -9.047 0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.478 -9.272 -1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.789 -9.029 -0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.342 -11.044 3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.984 -11.442 2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.345 -9.795 2.334 1.00 0.00 H new ATOM 577 N SER A 36 5.036 -10.476 -3.363 1.00 0.00 N ATOM 578 CA SER A 36 6.053 -10.270 -4.432 1.00 0.00 C ATOM 579 C SER A 36 7.116 -9.266 -3.973 1.00 0.00 C ATOM 580 O SER A 36 8.304 -9.569 -3.893 1.00 0.00 O ATOM 581 CB SER A 36 5.346 -9.711 -5.669 1.00 0.00 C ATOM 582 OG SER A 36 5.228 -8.300 -5.548 1.00 0.00 O ATOM 0 H SER A 36 4.244 -9.833 -3.391 1.00 0.00 H new ATOM 0 HA SER A 36 6.539 -11.220 -4.657 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.908 -9.964 -6.568 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.359 -10.162 -5.772 1.00 0.00 H new ATOM 0 HG SER A 36 4.529 -8.085 -4.895 1.00 0.00 H new ATOM 588 N GLN A 37 6.709 -8.064 -3.665 1.00 0.00 N ATOM 589 CA GLN A 37 7.687 -7.028 -3.230 1.00 0.00 C ATOM 590 C GLN A 37 7.041 -6.099 -2.205 1.00 0.00 C ATOM 591 O GLN A 37 5.840 -5.929 -2.166 1.00 0.00 O ATOM 592 CB GLN A 37 8.110 -6.208 -4.451 1.00 0.00 C ATOM 593 CG GLN A 37 9.012 -7.051 -5.351 1.00 0.00 C ATOM 594 CD GLN A 37 9.404 -6.235 -6.579 1.00 0.00 C ATOM 595 OE1 GLN A 37 8.575 -5.928 -7.411 1.00 0.00 O ATOM 596 NE2 GLN A 37 10.644 -5.859 -6.722 1.00 0.00 N ATOM 0 H GLN A 37 5.737 -7.755 -3.696 1.00 0.00 H new ATOM 0 HA GLN A 37 8.553 -7.512 -2.779 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.230 -5.882 -5.005 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.637 -5.309 -4.132 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.904 -7.359 -4.805 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.494 -7.961 -5.655 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.339 -6.118 -6.022 1.00 0.00 H new ATOM 0 HE22 GLN A 37 10.919 -5.306 -7.534 1.00 0.00 H new ATOM 605 N VAL A 38 7.846 -5.484 -1.381 1.00 0.00 N ATOM 606 CA VAL A 38 7.319 -4.542 -0.349 1.00 0.00 C ATOM 607 C VAL A 38 8.204 -3.302 -0.337 1.00 0.00 C ATOM 608 O VAL A 38 9.313 -3.325 -0.826 1.00 0.00 O ATOM 609 CB VAL A 38 7.373 -5.205 1.027 1.00 0.00 C ATOM 610 CG1 VAL A 38 6.636 -4.331 2.045 1.00 0.00 C ATOM 611 CG2 VAL A 38 6.711 -6.583 0.958 1.00 0.00 C ATOM 0 H VAL A 38 8.860 -5.595 -1.378 1.00 0.00 H new ATOM 0 HA VAL A 38 6.288 -4.275 -0.580 1.00 0.00 H new ATOM 0 HB VAL A 38 8.413 -5.319 1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.675 -4.804 3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.111 -3.351 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.596 -4.214 1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.750 -7.055 1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.671 -6.472 0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.239 -7.205 0.235 1.00 0.00 H new ATOM 621 N GLY A 39 7.738 -2.219 0.210 1.00 0.00 N ATOM 622 CA GLY A 39 8.592 -0.998 0.240 1.00 0.00 C ATOM 623 C GLY A 39 7.831 0.153 0.889 1.00 0.00 C ATOM 624 O GLY A 39 6.788 -0.036 1.488 1.00 0.00 O ATOM 0 H GLY A 39 6.815 -2.123 0.634 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.508 -1.198 0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.887 -0.725 -0.773 1.00 0.00 H new ATOM 628 N LEU A 40 8.354 1.349 0.775 1.00 0.00 N ATOM 629 CA LEU A 40 7.682 2.537 1.384 1.00 0.00 C ATOM 630 C LEU A 40 7.587 3.654 0.353 1.00 0.00 C ATOM 631 O LEU A 40 8.421 3.777 -0.522 1.00 0.00 O ATOM 632 CB LEU A 40 8.493 3.028 2.591 1.00 0.00 C ATOM 633 CG LEU A 40 8.549 1.931 3.684 1.00 0.00 C ATOM 634 CD1 LEU A 40 9.815 1.076 3.517 1.00 0.00 C ATOM 635 CD2 LEU A 40 8.567 2.580 5.076 1.00 0.00 C ATOM 0 H LEU A 40 9.224 1.554 0.283 1.00 0.00 H new ATOM 0 HA LEU A 40 6.681 2.254 1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.503 3.290 2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.041 3.933 2.997 1.00 0.00 H new ATOM 0 HG LEU A 40 7.668 1.298 3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.841 0.310 4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.806 0.601 2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.697 1.711 3.605 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.606 1.803 5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.443 3.222 5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.664 3.176 5.211 1.00 0.00 H new ATOM 647 N LEU A 41 6.572 4.475 0.453 1.00 0.00 N ATOM 648 CA LEU A 41 6.401 5.599 -0.514 1.00 0.00 C ATOM 649 C LEU A 41 6.650 6.921 0.211 1.00 0.00 C ATOM 650 O LEU A 41 6.044 7.220 1.223 1.00 0.00 O ATOM 651 CB LEU A 41 4.971 5.564 -1.072 1.00 0.00 C ATOM 652 CG LEU A 41 4.847 4.454 -2.138 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.390 3.983 -2.233 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.282 4.984 -3.514 1.00 0.00 C ATOM 0 H LEU A 41 5.849 4.413 1.170 1.00 0.00 H new ATOM 0 HA LEU A 41 7.110 5.502 -1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.261 5.385 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.719 6.530 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 41 5.490 3.624 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.309 3.200 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.070 3.591 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.754 4.823 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.189 4.190 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.646 5.823 -3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.319 5.315 -3.465 1.00 0.00 H new ATOM 666 N GLY A 42 7.544 7.710 -0.316 1.00 0.00 N ATOM 667 CA GLY A 42 7.870 9.026 0.299 1.00 0.00 C ATOM 668 C GLY A 42 7.009 10.113 -0.341 1.00 0.00 C ATOM 669 O GLY A 42 7.286 10.575 -1.434 1.00 0.00 O ATOM 0 H GLY A 42 8.071 7.494 -1.162 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.692 8.992 1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.927 9.254 0.158 1.00 0.00 H new ATOM 673 N ASP A 43 5.966 10.522 0.333 1.00 0.00 N ATOM 674 CA ASP A 43 5.071 11.588 -0.215 1.00 0.00 C ATOM 675 C ASP A 43 5.336 12.900 0.525 1.00 0.00 C ATOM 676 O ASP A 43 5.935 12.921 1.582 1.00 0.00 O ATOM 677 CB ASP A 43 3.609 11.185 -0.022 1.00 0.00 C ATOM 678 CG ASP A 43 3.385 9.784 -0.591 1.00 0.00 C ATOM 679 OD1 ASP A 43 4.325 9.006 -0.590 1.00 0.00 O ATOM 680 OD2 ASP A 43 2.276 9.510 -1.014 1.00 0.00 O ATOM 0 H ASP A 43 5.693 10.161 1.247 1.00 0.00 H new ATOM 0 HA ASP A 43 5.272 11.717 -1.278 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.353 11.204 1.037 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.955 11.900 -0.521 1.00 0.00 H new ATOM 685 N GLU A 44 4.888 13.991 -0.024 1.00 0.00 N ATOM 686 CA GLU A 44 5.098 15.314 0.633 1.00 0.00 C ATOM 687 C GLU A 44 4.212 15.422 1.877 1.00 0.00 C ATOM 688 O GLU A 44 4.425 16.256 2.735 1.00 0.00 O ATOM 689 CB GLU A 44 4.727 16.419 -0.358 1.00 0.00 C ATOM 690 CG GLU A 44 5.024 17.789 0.251 1.00 0.00 C ATOM 691 CD GLU A 44 4.724 18.875 -0.784 1.00 0.00 C ATOM 692 OE1 GLU A 44 4.579 18.533 -1.946 1.00 0.00 O ATOM 693 OE2 GLU A 44 4.642 20.029 -0.396 1.00 0.00 O ATOM 0 H GLU A 44 4.380 14.026 -0.908 1.00 0.00 H new ATOM 0 HA GLU A 44 6.141 15.416 0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.290 16.293 -1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.670 16.348 -0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.417 17.943 1.143 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.067 17.844 0.561 1.00 0.00 H new ATOM 700 N THR A 45 3.219 14.583 1.985 1.00 0.00 N ATOM 701 CA THR A 45 2.312 14.636 3.172 1.00 0.00 C ATOM 702 C THR A 45 2.806 13.658 4.238 1.00 0.00 C ATOM 703 O THR A 45 2.351 13.672 5.364 1.00 0.00 O ATOM 704 CB THR A 45 0.893 14.251 2.738 1.00 0.00 C ATOM 705 OG1 THR A 45 0.879 12.893 2.320 1.00 0.00 O ATOM 706 CG2 THR A 45 0.437 15.152 1.584 1.00 0.00 C ATOM 0 H THR A 45 2.994 13.860 1.302 1.00 0.00 H new ATOM 0 HA THR A 45 2.307 15.644 3.586 1.00 0.00 H new ATOM 0 HB THR A 45 0.212 14.380 3.579 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.028 12.645 2.044 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.572 14.872 1.281 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.443 16.192 1.910 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.116 15.033 0.739 1.00 0.00 H new ATOM 714 N GLY A 46 3.742 12.811 3.897 1.00 0.00 N ATOM 715 CA GLY A 46 4.268 11.840 4.901 1.00 0.00 C ATOM 716 C GLY A 46 4.786 10.586 4.196 1.00 0.00 C ATOM 717 O GLY A 46 5.254 10.638 3.076 1.00 0.00 O ATOM 0 H GLY A 46 4.163 12.750 2.970 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.070 12.300 5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.481 11.572 5.606 1.00 0.00 H new ATOM 721 N ILE A 47 4.705 9.455 4.855 1.00 0.00 N ATOM 722 CA ILE A 47 5.188 8.174 4.247 1.00 0.00 C ATOM 723 C ILE A 47 4.136 7.080 4.445 1.00 0.00 C ATOM 724 O ILE A 47 3.327 7.140 5.349 1.00 0.00 O ATOM 725 CB ILE A 47 6.501 7.758 4.918 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.290 7.579 6.427 1.00 0.00 C ATOM 727 CG2 ILE A 47 7.560 8.836 4.682 1.00 0.00 C ATOM 728 CD1 ILE A 47 7.587 7.070 7.059 1.00 0.00 C ATOM 0 H ILE A 47 4.322 9.364 5.796 1.00 0.00 H new ATOM 0 HA ILE A 47 5.356 8.318 3.180 1.00 0.00 H new ATOM 0 HB ILE A 47 6.833 6.813 4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.998 8.526 6.880 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.480 6.874 6.612 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.494 8.539 5.160 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.723 8.958 3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.219 9.780 5.107 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.443 6.941 8.132 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.859 6.114 6.612 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.385 7.792 6.884 1.00 0.00 H new ATOM 740 N ILE A 48 4.147 6.077 3.610 1.00 0.00 N ATOM 741 CA ILE A 48 3.154 4.970 3.753 1.00 0.00 C ATOM 742 C ILE A 48 3.747 3.677 3.181 1.00 0.00 C ATOM 743 O ILE A 48 4.495 3.693 2.223 1.00 0.00 O ATOM 744 CB ILE A 48 1.861 5.338 3.017 1.00 0.00 C ATOM 745 CG1 ILE A 48 0.852 4.195 3.159 1.00 0.00 C ATOM 746 CG2 ILE A 48 2.161 5.584 1.540 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.543 4.676 2.743 1.00 0.00 C ATOM 0 H ILE A 48 4.801 5.975 2.834 1.00 0.00 H new ATOM 0 HA ILE A 48 2.923 4.817 4.807 1.00 0.00 H new ATOM 0 HB ILE A 48 1.442 6.246 3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.155 3.351 2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.832 3.842 4.190 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.239 5.845 1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.875 6.402 1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.583 4.681 1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.256 3.858 2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.847 5.505 3.381 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.519 5.007 1.705 1.00 0.00 H new ATOM 759 N LYS A 49 3.423 2.560 3.772 1.00 0.00 N ATOM 760 CA LYS A 49 3.962 1.254 3.285 1.00 0.00 C ATOM 761 C LYS A 49 3.152 0.788 2.080 1.00 0.00 C ATOM 762 O LYS A 49 2.068 1.280 1.828 1.00 0.00 O ATOM 763 CB LYS A 49 3.854 0.219 4.403 1.00 0.00 C ATOM 764 CG LYS A 49 4.832 0.582 5.517 1.00 0.00 C ATOM 765 CD LYS A 49 4.723 -0.444 6.642 1.00 0.00 C ATOM 766 CE LYS A 49 5.683 -0.065 7.768 1.00 0.00 C ATOM 767 NZ LYS A 49 7.080 -0.065 7.247 1.00 0.00 N ATOM 0 H LYS A 49 2.803 2.493 4.579 1.00 0.00 H new ATOM 0 HA LYS A 49 5.006 1.373 2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.836 0.190 4.791 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.076 -0.776 4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.850 0.605 5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.613 1.580 5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.700 -0.481 7.018 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.961 -1.439 6.266 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.430 0.919 8.161 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.591 -0.771 8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.693 -0.595 7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.101 -0.514 6.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.422 0.914 7.170 1.00 0.00 H new ATOM 781 N PHE A 50 3.636 -0.174 1.333 1.00 0.00 N ATOM 782 CA PHE A 50 2.853 -0.667 0.168 1.00 0.00 C ATOM 783 C PHE A 50 3.273 -2.116 -0.109 1.00 0.00 C ATOM 784 O PHE A 50 4.411 -2.493 0.130 1.00 0.00 O ATOM 785 CB PHE A 50 3.137 0.205 -1.065 1.00 0.00 C ATOM 786 CG PHE A 50 4.524 -0.067 -1.603 1.00 0.00 C ATOM 787 CD1 PHE A 50 4.744 -1.166 -2.444 1.00 0.00 C ATOM 788 CD2 PHE A 50 5.583 0.787 -1.277 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.023 -1.409 -2.960 1.00 0.00 C ATOM 790 CE2 PHE A 50 6.861 0.543 -1.790 1.00 0.00 C ATOM 791 CZ PHE A 50 7.081 -0.555 -2.633 1.00 0.00 C ATOM 0 H PHE A 50 4.534 -0.634 1.482 1.00 0.00 H new ATOM 0 HA PHE A 50 1.786 -0.617 0.385 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.395 0.003 -1.838 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.044 1.258 -0.801 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.927 -1.826 -2.694 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.414 1.635 -0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.192 -2.255 -3.610 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.679 1.201 -1.536 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.068 -0.742 -3.030 1.00 0.00 H new ATOM 801 N THR A 51 2.372 -2.931 -0.603 1.00 0.00 N ATOM 802 CA THR A 51 2.714 -4.363 -0.892 1.00 0.00 C ATOM 803 C THR A 51 2.210 -4.744 -2.287 1.00 0.00 C ATOM 804 O THR A 51 1.082 -4.471 -2.643 1.00 0.00 O ATOM 805 CB THR A 51 2.046 -5.262 0.153 1.00 0.00 C ATOM 806 OG1 THR A 51 2.454 -4.861 1.452 1.00 0.00 O ATOM 807 CG2 THR A 51 2.457 -6.717 -0.084 1.00 0.00 C ATOM 0 H THR A 51 1.411 -2.667 -0.820 1.00 0.00 H new ATOM 0 HA THR A 51 3.796 -4.492 -0.853 1.00 0.00 H new ATOM 0 HB THR A 51 0.963 -5.173 0.068 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.026 -5.435 2.121 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.981 -7.355 0.660 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.143 -7.026 -1.081 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.540 -6.807 -0.000 1.00 0.00 H new ATOM 815 N ILE A 52 3.045 -5.372 -3.079 1.00 0.00 N ATOM 816 CA ILE A 52 2.628 -5.779 -4.462 1.00 0.00 C ATOM 817 C ILE A 52 2.392 -7.290 -4.497 1.00 0.00 C ATOM 818 O ILE A 52 3.230 -8.068 -4.086 1.00 0.00 O ATOM 819 CB ILE A 52 3.738 -5.416 -5.447 1.00 0.00 C ATOM 820 CG1 ILE A 52 4.005 -3.915 -5.357 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.294 -5.772 -6.867 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.234 -3.552 -6.191 1.00 0.00 C ATOM 0 H ILE A 52 4.001 -5.622 -2.828 1.00 0.00 H new ATOM 0 HA ILE A 52 1.709 -5.261 -4.737 1.00 0.00 H new ATOM 0 HB ILE A 52 4.646 -5.969 -5.205 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.137 -3.361 -5.713 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.162 -3.627 -4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.085 -5.514 -7.571 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.090 -6.841 -6.927 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.391 -5.215 -7.116 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.417 -2.480 -6.121 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.102 -4.094 -5.815 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.060 -3.823 -7.232 1.00 0.00 H new ATOM 834 N TRP A 53 1.250 -7.716 -4.968 1.00 0.00 N ATOM 835 CA TRP A 53 0.956 -9.177 -5.010 1.00 0.00 C ATOM 836 C TRP A 53 1.555 -9.812 -6.266 1.00 0.00 C ATOM 837 O TRP A 53 1.531 -9.242 -7.338 1.00 0.00 O ATOM 838 CB TRP A 53 -0.559 -9.372 -5.027 1.00 0.00 C ATOM 839 CG TRP A 53 -1.120 -8.958 -3.708 1.00 0.00 C ATOM 840 CD1 TRP A 53 -1.814 -7.821 -3.479 1.00 0.00 C ATOM 841 CD2 TRP A 53 -1.037 -9.653 -2.434 1.00 0.00 C ATOM 842 NE1 TRP A 53 -2.166 -7.776 -2.142 1.00 0.00 N ATOM 843 CE2 TRP A 53 -1.709 -8.885 -1.456 1.00 0.00 C ATOM 844 CE3 TRP A 53 -0.450 -10.866 -2.039 1.00 0.00 C ATOM 845 CZ2 TRP A 53 -1.794 -9.306 -0.129 1.00 0.00 C ATOM 846 CZ3 TRP A 53 -0.533 -11.295 -0.704 1.00 0.00 C ATOM 847 CH2 TRP A 53 -1.204 -10.516 0.248 1.00 0.00 C ATOM 0 H TRP A 53 0.508 -7.114 -5.326 1.00 0.00 H new ATOM 0 HA TRP A 53 1.395 -9.653 -4.134 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -1.005 -8.781 -5.827 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.801 -10.416 -5.228 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.054 -7.071 -4.218 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.698 -7.017 -1.715 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.069 -11.473 -2.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.312 -8.702 0.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.078 -12.229 -0.410 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.265 -10.850 1.273 1.00 0.00 H new ATOM 858 N LYS A 54 2.096 -10.992 -6.134 1.00 0.00 N ATOM 859 CA LYS A 54 2.706 -11.676 -7.310 1.00 0.00 C ATOM 860 C LYS A 54 1.646 -11.848 -8.398 1.00 0.00 C ATOM 861 O LYS A 54 1.939 -11.813 -9.577 1.00 0.00 O ATOM 862 CB LYS A 54 3.211 -13.054 -6.871 1.00 0.00 C ATOM 863 CG LYS A 54 3.977 -13.749 -8.007 1.00 0.00 C ATOM 864 CD LYS A 54 5.332 -13.064 -8.241 1.00 0.00 C ATOM 865 CE LYS A 54 6.241 -13.990 -9.052 1.00 0.00 C ATOM 866 NZ LYS A 54 5.655 -14.190 -10.406 1.00 0.00 N ATOM 0 H LYS A 54 2.142 -11.514 -5.259 1.00 0.00 H new ATOM 0 HA LYS A 54 3.534 -11.083 -7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.861 -12.947 -6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.368 -13.673 -6.564 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.132 -14.799 -7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.386 -13.721 -8.922 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.188 -12.123 -8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.799 -12.824 -7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.239 -13.559 -9.135 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.349 -14.949 -8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.420 -14.302 -11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.061 -15.044 -10.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.075 -13.365 -10.658 1.00 0.00 H new ATOM 880 N ASN A 55 0.420 -12.041 -8.011 1.00 0.00 N ATOM 881 CA ASN A 55 -0.656 -12.224 -9.022 1.00 0.00 C ATOM 882 C ASN A 55 -0.814 -10.945 -9.848 1.00 0.00 C ATOM 883 O ASN A 55 -1.549 -10.908 -10.815 1.00 0.00 O ATOM 884 CB ASN A 55 -1.969 -12.535 -8.302 1.00 0.00 C ATOM 885 CG ASN A 55 -1.768 -13.742 -7.384 1.00 0.00 C ATOM 886 OD1 ASN A 55 -1.284 -14.770 -7.811 1.00 0.00 O ATOM 887 ND2 ASN A 55 -2.120 -13.658 -6.130 1.00 0.00 N ATOM 0 H ASN A 55 0.115 -12.080 -7.039 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.396 -13.047 -9.688 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.292 -11.671 -7.721 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.755 -12.743 -9.028 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.988 -14.456 -5.509 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.527 -12.794 -5.771 1.00 0.00 H new ATOM 894 N ALA A 56 -0.123 -9.897 -9.484 1.00 0.00 N ATOM 895 CA ALA A 56 -0.228 -8.626 -10.258 1.00 0.00 C ATOM 896 C ALA A 56 0.791 -8.655 -11.403 1.00 0.00 C ATOM 897 O ALA A 56 0.570 -8.103 -12.464 1.00 0.00 O ATOM 898 CB ALA A 56 0.065 -7.444 -9.329 1.00 0.00 C ATOM 0 H ALA A 56 0.509 -9.867 -8.684 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.232 -8.518 -10.668 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.011 -6.513 -9.890 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.657 -7.435 -8.513 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.071 -7.542 -8.922 1.00 0.00 H new ATOM 904 N GLU A 57 1.904 -9.305 -11.191 1.00 0.00 N ATOM 905 CA GLU A 57 2.947 -9.389 -12.256 1.00 0.00 C ATOM 906 C GLU A 57 3.233 -7.998 -12.814 1.00 0.00 C ATOM 907 O GLU A 57 3.180 -7.776 -14.008 1.00 0.00 O ATOM 908 CB GLU A 57 2.456 -10.302 -13.380 1.00 0.00 C ATOM 909 CG GLU A 57 2.339 -11.736 -12.858 1.00 0.00 C ATOM 910 CD GLU A 57 3.731 -12.278 -12.526 1.00 0.00 C ATOM 911 OE1 GLU A 57 4.598 -12.188 -13.380 1.00 0.00 O ATOM 912 OE2 GLU A 57 3.907 -12.768 -11.424 1.00 0.00 O ATOM 0 H GLU A 57 2.137 -9.784 -10.321 1.00 0.00 H new ATOM 0 HA GLU A 57 3.863 -9.797 -11.829 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.489 -9.957 -13.747 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.148 -10.265 -14.221 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.707 -11.760 -11.970 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.861 -12.368 -13.606 1.00 0.00 H new ATOM 919 N LEU A 58 3.534 -7.055 -11.959 1.00 0.00 N ATOM 920 CA LEU A 58 3.822 -5.664 -12.434 1.00 0.00 C ATOM 921 C LEU A 58 5.343 -5.417 -12.440 1.00 0.00 C ATOM 922 O LEU A 58 6.070 -6.033 -11.684 1.00 0.00 O ATOM 923 CB LEU A 58 3.145 -4.665 -11.492 1.00 0.00 C ATOM 924 CG LEU A 58 1.660 -5.009 -11.359 1.00 0.00 C ATOM 925 CD1 LEU A 58 1.023 -4.090 -10.314 1.00 0.00 C ATOM 926 CD2 LEU A 58 0.950 -4.819 -12.709 1.00 0.00 C ATOM 0 H LEU A 58 3.593 -7.187 -10.949 1.00 0.00 H new ATOM 0 HA LEU A 58 3.438 -5.538 -13.446 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.624 -4.691 -10.513 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.261 -3.652 -11.876 1.00 0.00 H new ATOM 0 HG LEU A 58 1.559 -6.049 -11.049 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.036 -4.330 -10.215 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.519 -4.232 -9.354 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.131 -3.052 -10.628 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.106 -5.067 -12.603 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.049 -3.782 -13.029 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.403 -5.474 -13.454 1.00 0.00 H new ATOM 938 N PRO A 59 5.833 -4.514 -13.275 1.00 0.00 N ATOM 939 CA PRO A 59 7.298 -4.198 -13.339 1.00 0.00 C ATOM 940 C PRO A 59 7.884 -3.828 -11.966 1.00 0.00 C ATOM 941 O PRO A 59 7.204 -3.303 -11.107 1.00 0.00 O ATOM 942 CB PRO A 59 7.385 -2.995 -14.299 1.00 0.00 C ATOM 943 CG PRO A 59 6.134 -3.040 -15.119 1.00 0.00 C ATOM 944 CD PRO A 59 5.062 -3.713 -14.255 1.00 0.00 C ATOM 0 HA PRO A 59 7.873 -5.062 -13.672 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.458 -2.058 -13.747 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.270 -3.062 -14.931 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.824 -2.035 -15.407 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.296 -3.600 -16.040 1.00 0.00 H new ATOM 0 HD2 PRO A 59 4.431 -2.976 -13.758 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.405 -4.343 -14.855 1.00 0.00 H new ATOM 952 N LEU A 60 9.141 -4.121 -11.753 1.00 0.00 N ATOM 953 CA LEU A 60 9.784 -3.816 -10.441 1.00 0.00 C ATOM 954 C LEU A 60 9.883 -2.301 -10.238 1.00 0.00 C ATOM 955 O LEU A 60 10.206 -1.557 -11.144 1.00 0.00 O ATOM 956 CB LEU A 60 11.192 -4.416 -10.436 1.00 0.00 C ATOM 957 CG LEU A 60 11.131 -5.868 -10.921 1.00 0.00 C ATOM 958 CD1 LEU A 60 12.524 -6.493 -10.830 1.00 0.00 C ATOM 959 CD2 LEU A 60 10.149 -6.669 -10.059 1.00 0.00 C ATOM 0 H LEU A 60 9.754 -4.562 -12.438 1.00 0.00 H new ATOM 0 HA LEU A 60 9.184 -4.241 -9.636 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.849 -3.833 -11.081 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.613 -4.374 -9.431 1.00 0.00 H new ATOM 0 HG LEU A 60 10.789 -5.886 -11.956 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.482 -7.526 -11.175 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.217 -5.930 -11.455 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.867 -6.469 -9.796 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.113 -7.700 -10.411 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.479 -6.652 -9.020 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.156 -6.226 -10.131 1.00 0.00 H new ATOM 971 N LEU A 61 9.604 -1.845 -9.047 1.00 0.00 N ATOM 972 CA LEU A 61 9.671 -0.385 -8.755 1.00 0.00 C ATOM 973 C LEU A 61 11.117 0.018 -8.448 1.00 0.00 C ATOM 974 O LEU A 61 11.870 -0.735 -7.864 1.00 0.00 O ATOM 975 CB LEU A 61 8.786 -0.084 -7.542 1.00 0.00 C ATOM 976 CG LEU A 61 7.316 -0.061 -7.969 1.00 0.00 C ATOM 977 CD1 LEU A 61 6.920 -1.434 -8.528 1.00 0.00 C ATOM 978 CD2 LEU A 61 6.444 0.275 -6.756 1.00 0.00 C ATOM 0 H LEU A 61 9.330 -2.428 -8.256 1.00 0.00 H new ATOM 0 HA LEU A 61 9.323 0.180 -9.620 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.939 -0.840 -6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.063 0.876 -7.107 1.00 0.00 H new ATOM 0 HG LEU A 61 7.171 0.694 -8.742 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.873 -1.415 -8.831 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.544 -1.669 -9.391 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.062 -2.194 -7.760 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.396 0.293 -7.055 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.588 -0.480 -5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.726 1.252 -6.365 1.00 0.00 H new ATOM 990 N GLU A 62 11.506 1.206 -8.842 1.00 0.00 N ATOM 991 CA GLU A 62 12.904 1.680 -8.585 1.00 0.00 C ATOM 992 C GLU A 62 12.908 2.710 -7.449 1.00 0.00 C ATOM 993 O GLU A 62 12.084 3.599 -7.388 1.00 0.00 O ATOM 994 CB GLU A 62 13.455 2.312 -9.862 1.00 0.00 C ATOM 995 CG GLU A 62 13.665 1.217 -10.910 1.00 0.00 C ATOM 996 CD GLU A 62 14.110 1.846 -12.230 1.00 0.00 C ATOM 997 OE1 GLU A 62 14.261 3.056 -12.268 1.00 0.00 O ATOM 998 OE2 GLU A 62 14.292 1.106 -13.184 1.00 0.00 O ATOM 0 H GLU A 62 10.912 1.873 -9.334 1.00 0.00 H new ATOM 0 HA GLU A 62 13.529 0.836 -8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.763 3.065 -10.238 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.397 2.820 -9.654 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.416 0.507 -10.563 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.741 0.658 -11.056 1.00 0.00 H new ATOM 1005 N GLN A 63 13.837 2.575 -6.544 1.00 0.00 N ATOM 1006 CA GLN A 63 13.918 3.518 -5.391 1.00 0.00 C ATOM 1007 C GLN A 63 14.481 4.859 -5.852 1.00 0.00 C ATOM 1008 O GLN A 63 15.309 4.940 -6.738 1.00 0.00 O ATOM 1009 CB GLN A 63 14.823 2.928 -4.311 1.00 0.00 C ATOM 1010 CG GLN A 63 16.221 2.746 -4.888 1.00 0.00 C ATOM 1011 CD GLN A 63 16.996 1.706 -4.076 1.00 0.00 C ATOM 1012 OE1 GLN A 63 17.884 2.045 -3.320 1.00 0.00 O ATOM 1013 NE2 GLN A 63 16.692 0.444 -4.203 1.00 0.00 N ATOM 0 H GLN A 63 14.550 1.846 -6.553 1.00 0.00 H new ATOM 0 HA GLN A 63 12.918 3.672 -4.985 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.855 3.588 -3.444 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.428 1.971 -3.969 1.00 0.00 H new ATOM 0 HG2 GLN A 63 16.154 2.430 -5.929 1.00 0.00 H new ATOM 0 HG3 GLN A 63 16.753 3.697 -4.877 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.946 0.161 -4.838 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.200 -0.259 -3.667 1.00 0.00 H new ATOM 1022 N GLY A 64 14.023 5.908 -5.243 1.00 0.00 N ATOM 1023 CA GLY A 64 14.497 7.274 -5.604 1.00 0.00 C ATOM 1024 C GLY A 64 13.761 7.761 -6.855 1.00 0.00 C ATOM 1025 O GLY A 64 13.851 8.915 -7.228 1.00 0.00 O ATOM 0 H GLY A 64 13.328 5.881 -4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.321 7.961 -4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.572 7.261 -5.785 1.00 0.00 H new ATOM 1029 N GLU A 65 13.048 6.889 -7.521 1.00 0.00 N ATOM 1030 CA GLU A 65 12.323 7.295 -8.766 1.00 0.00 C ATOM 1031 C GLU A 65 10.852 7.600 -8.456 1.00 0.00 C ATOM 1032 O GLU A 65 10.253 7.034 -7.555 1.00 0.00 O ATOM 1033 CB GLU A 65 12.405 6.154 -9.783 1.00 0.00 C ATOM 1034 CG GLU A 65 11.930 6.643 -11.153 1.00 0.00 C ATOM 1035 CD GLU A 65 12.955 7.623 -11.728 1.00 0.00 C ATOM 1036 OE1 GLU A 65 14.018 7.749 -11.143 1.00 0.00 O ATOM 1037 OE2 GLU A 65 12.661 8.228 -12.746 1.00 0.00 O ATOM 0 H GLU A 65 12.936 5.910 -7.257 1.00 0.00 H new ATOM 0 HA GLU A 65 12.786 8.194 -9.172 1.00 0.00 H new ATOM 0 HB2 GLU A 65 13.430 5.790 -9.852 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.791 5.316 -9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.801 5.797 -11.828 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.958 7.129 -11.061 1.00 0.00 H new ATOM 1044 N SER A 66 10.273 8.494 -9.219 1.00 0.00 N ATOM 1045 CA SER A 66 8.843 8.863 -9.019 1.00 0.00 C ATOM 1046 C SER A 66 7.947 7.861 -9.751 1.00 0.00 C ATOM 1047 O SER A 66 8.274 7.383 -10.822 1.00 0.00 O ATOM 1048 CB SER A 66 8.600 10.270 -9.565 1.00 0.00 C ATOM 1049 OG SER A 66 9.108 11.224 -8.642 1.00 0.00 O ATOM 0 H SER A 66 10.739 8.988 -9.980 1.00 0.00 H new ATOM 0 HA SER A 66 8.607 8.843 -7.955 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.088 10.387 -10.533 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.534 10.432 -9.724 1.00 0.00 H new ATOM 0 HG SER A 66 10.045 11.418 -8.855 1.00 0.00 H new ATOM 1055 N TYR A 67 6.814 7.542 -9.181 1.00 0.00 N ATOM 1056 CA TYR A 67 5.887 6.573 -9.836 1.00 0.00 C ATOM 1057 C TYR A 67 4.438 7.014 -9.618 1.00 0.00 C ATOM 1058 O TYR A 67 4.095 7.623 -8.621 1.00 0.00 O ATOM 1059 CB TYR A 67 6.080 5.173 -9.231 1.00 0.00 C ATOM 1060 CG TYR A 67 7.295 4.515 -9.845 1.00 0.00 C ATOM 1061 CD1 TYR A 67 7.277 4.141 -11.194 1.00 0.00 C ATOM 1062 CD2 TYR A 67 8.436 4.278 -9.068 1.00 0.00 C ATOM 1063 CE1 TYR A 67 8.399 3.530 -11.767 1.00 0.00 C ATOM 1064 CE2 TYR A 67 9.555 3.668 -9.641 1.00 0.00 C ATOM 1065 CZ TYR A 67 9.538 3.293 -10.990 1.00 0.00 C ATOM 1066 OH TYR A 67 10.644 2.690 -11.553 1.00 0.00 O ATOM 0 H TYR A 67 6.490 7.912 -8.287 1.00 0.00 H new ATOM 0 HA TYR A 67 6.106 6.544 -10.903 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.202 5.247 -8.150 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.195 4.563 -9.411 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.397 4.324 -11.793 1.00 0.00 H new ATOM 0 HD2 TYR A 67 8.451 4.566 -8.027 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.385 3.242 -12.808 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.435 3.485 -9.042 1.00 0.00 H new ATOM 0 HH TYR A 67 10.690 2.915 -12.506 1.00 0.00 H new ATOM 1076 N LEU A 68 3.594 6.681 -10.556 1.00 0.00 N ATOM 1077 CA LEU A 68 2.143 7.028 -10.457 1.00 0.00 C ATOM 1078 C LEU A 68 1.362 5.740 -10.205 1.00 0.00 C ATOM 1079 O LEU A 68 1.542 4.757 -10.897 1.00 0.00 O ATOM 1080 CB LEU A 68 1.681 7.672 -11.767 1.00 0.00 C ATOM 1081 CG LEU A 68 0.167 7.927 -11.740 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -0.218 8.777 -10.523 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -0.241 8.664 -13.017 1.00 0.00 C ATOM 0 H LEU A 68 3.851 6.174 -11.403 1.00 0.00 H new ATOM 0 HA LEU A 68 1.974 7.733 -9.643 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.211 8.612 -11.923 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.931 7.022 -12.606 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.349 6.969 -11.675 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.295 8.946 -10.523 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.067 8.255 -9.610 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.299 9.735 -10.570 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.315 8.848 -13.004 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.289 9.615 -13.074 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.012 8.055 -13.885 1.00 0.00 H new ATOM 1095 N LEU A 69 0.504 5.731 -9.217 1.00 0.00 N ATOM 1096 CA LEU A 69 -0.291 4.503 -8.902 1.00 0.00 C ATOM 1097 C LEU A 69 -1.770 4.763 -9.188 1.00 0.00 C ATOM 1098 O LEU A 69 -2.390 5.600 -8.562 1.00 0.00 O ATOM 1099 CB LEU A 69 -0.110 4.182 -7.421 1.00 0.00 C ATOM 1100 CG LEU A 69 1.383 4.092 -7.097 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.559 3.821 -5.602 1.00 0.00 C ATOM 1102 CD2 LEU A 69 2.029 2.960 -7.913 1.00 0.00 C ATOM 0 H LEU A 69 0.318 6.529 -8.609 1.00 0.00 H new ATOM 0 HA LEU A 69 0.049 3.668 -9.515 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.580 4.953 -6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.603 3.240 -7.179 1.00 0.00 H new ATOM 0 HG LEU A 69 1.868 5.033 -7.356 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.621 3.756 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.109 4.632 -5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.072 2.881 -5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.092 2.902 -7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.550 2.013 -7.664 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.904 3.161 -8.977 1.00 0.00 H new ATOM 1114 N ARG A 70 -2.335 4.059 -10.140 1.00 0.00 N ATOM 1115 CA ARG A 70 -3.778 4.267 -10.491 1.00 0.00 C ATOM 1116 C ARG A 70 -4.595 3.021 -10.141 1.00 0.00 C ATOM 1117 O ARG A 70 -4.123 1.906 -10.245 1.00 0.00 O ATOM 1118 CB ARG A 70 -3.902 4.526 -11.992 1.00 0.00 C ATOM 1119 CG ARG A 70 -3.069 5.748 -12.365 1.00 0.00 C ATOM 1120 CD ARG A 70 -3.265 6.071 -13.846 1.00 0.00 C ATOM 1121 NE ARG A 70 -2.711 4.960 -14.669 1.00 0.00 N ATOM 1122 CZ ARG A 70 -2.814 4.992 -15.968 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -3.401 5.999 -16.555 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -2.330 4.013 -16.684 1.00 0.00 N ATOM 0 H ARG A 70 -1.858 3.346 -10.692 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.156 5.119 -9.926 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.561 3.655 -12.552 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.946 4.688 -12.259 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.364 6.601 -11.754 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.015 5.558 -12.160 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.324 6.207 -14.063 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.766 7.007 -14.095 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.250 4.172 -14.215 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.781 6.764 -15.997 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.480 6.021 -17.572 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.872 3.225 -16.227 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.410 4.037 -17.701 1.00 0.00 H new ATOM 1138 N SER A 71 -5.823 3.216 -9.738 1.00 0.00 N ATOM 1139 CA SER A 71 -6.711 2.067 -9.393 1.00 0.00 C ATOM 1140 C SER A 71 -6.080 1.197 -8.303 1.00 0.00 C ATOM 1141 O SER A 71 -5.857 0.017 -8.495 1.00 0.00 O ATOM 1142 CB SER A 71 -6.976 1.221 -10.643 1.00 0.00 C ATOM 1143 OG SER A 71 -7.420 -0.071 -10.250 1.00 0.00 O ATOM 0 H SER A 71 -6.254 4.135 -9.632 1.00 0.00 H new ATOM 0 HA SER A 71 -7.653 2.463 -9.015 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.728 1.702 -11.269 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.068 1.140 -11.241 1.00 0.00 H new ATOM 0 HG SER A 71 -6.685 -0.551 -9.814 1.00 0.00 H new ATOM 1149 N VAL A 72 -5.797 1.766 -7.156 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.189 0.974 -6.037 1.00 0.00 C ATOM 1151 C VAL A 72 -6.181 0.918 -4.876 1.00 0.00 C ATOM 1152 O VAL A 72 -7.151 1.648 -4.839 1.00 0.00 O ATOM 1153 CB VAL A 72 -3.886 1.635 -5.571 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -2.761 1.317 -6.560 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -4.078 3.150 -5.488 1.00 0.00 C ATOM 0 H VAL A 72 -5.961 2.750 -6.944 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.965 -0.035 -6.384 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.622 1.248 -4.587 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.837 1.789 -6.225 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.618 0.238 -6.614 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.025 1.698 -7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.150 3.617 -5.157 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.348 3.537 -6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.873 3.378 -4.778 1.00 0.00 H new ATOM 1165 N VAL A 73 -5.946 0.039 -3.935 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.872 -0.101 -2.768 1.00 0.00 C ATOM 1167 C VAL A 73 -6.076 0.005 -1.466 1.00 0.00 C ATOM 1168 O VAL A 73 -4.901 -0.301 -1.410 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.569 -1.464 -2.843 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -6.528 -2.574 -3.007 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -8.378 -1.700 -1.564 1.00 0.00 C ATOM 0 H VAL A 73 -5.146 -0.593 -3.924 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.619 0.692 -2.792 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.240 -1.475 -3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.031 -3.540 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.962 -2.409 -3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.849 -2.565 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.873 -2.670 -1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.710 -1.682 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -9.128 -0.916 -1.458 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.719 0.448 -0.420 1.00 0.00 N ATOM 1182 CA VAL A 74 -6.027 0.594 0.897 1.00 0.00 C ATOM 1183 C VAL A 74 -6.269 -0.658 1.744 1.00 0.00 C ATOM 1184 O VAL A 74 -7.384 -1.126 1.872 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.577 1.825 1.613 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -5.859 2.000 2.953 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.337 3.058 0.738 1.00 0.00 C ATOM 0 H VAL A 74 -7.703 0.718 -0.420 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.955 0.713 0.743 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.645 1.702 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.252 2.879 3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.022 1.117 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.791 2.128 2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.727 3.943 1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.268 3.180 0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.846 2.931 -0.218 1.00 0.00 H new ATOM 1197 N GLY A 75 -5.228 -1.211 2.324 1.00 0.00 N ATOM 1198 CA GLY A 75 -5.379 -2.438 3.172 1.00 0.00 C ATOM 1199 C GLY A 75 -5.088 -2.090 4.634 1.00 0.00 C ATOM 1200 O GLY A 75 -4.397 -1.135 4.928 1.00 0.00 O ATOM 0 H GLY A 75 -4.273 -0.862 2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.389 -2.836 3.076 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.696 -3.215 2.830 1.00 0.00 H new ATOM 1204 N GLU A 76 -5.611 -2.861 5.553 1.00 0.00 N ATOM 1205 CA GLU A 76 -5.369 -2.587 7.004 1.00 0.00 C ATOM 1206 C GLU A 76 -4.315 -3.564 7.527 1.00 0.00 C ATOM 1207 O GLU A 76 -4.508 -4.764 7.514 1.00 0.00 O ATOM 1208 CB GLU A 76 -6.673 -2.792 7.776 1.00 0.00 C ATOM 1209 CG GLU A 76 -6.464 -2.411 9.242 1.00 0.00 C ATOM 1210 CD GLU A 76 -7.779 -2.583 10.004 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -8.095 -3.708 10.355 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -8.447 -1.587 10.224 1.00 0.00 O ATOM 0 H GLU A 76 -6.198 -3.673 5.361 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.020 -1.563 7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.465 -2.183 7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.992 -3.831 7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.690 -3.037 9.685 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.121 -1.379 9.316 1.00 0.00 H new ATOM 1219 N TYR A 77 -3.196 -3.058 7.983 1.00 0.00 N ATOM 1220 CA TYR A 77 -2.112 -3.951 8.507 1.00 0.00 C ATOM 1221 C TYR A 77 -1.556 -3.384 9.819 1.00 0.00 C ATOM 1222 O TYR A 77 -1.006 -2.301 9.861 1.00 0.00 O ATOM 1223 CB TYR A 77 -0.997 -4.046 7.463 1.00 0.00 C ATOM 1224 CG TYR A 77 0.090 -4.969 7.958 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -0.056 -6.355 7.828 1.00 0.00 C ATOM 1226 CD2 TYR A 77 1.244 -4.438 8.545 1.00 0.00 C ATOM 1227 CE1 TYR A 77 0.953 -7.211 8.286 1.00 0.00 C ATOM 1228 CE2 TYR A 77 2.252 -5.292 9.003 1.00 0.00 C ATOM 1229 CZ TYR A 77 2.107 -6.679 8.874 1.00 0.00 C ATOM 1230 OH TYR A 77 3.103 -7.521 9.325 1.00 0.00 O ATOM 0 H TYR A 77 -2.984 -2.061 8.016 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.517 -4.944 8.701 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.400 -4.416 6.520 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.585 -3.056 7.267 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.947 -6.764 7.375 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.356 -3.368 8.644 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.841 -8.281 8.186 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.142 -4.882 9.456 1.00 0.00 H new ATOM 0 HH TYR A 77 3.834 -6.990 9.705 1.00 0.00 H new ATOM 1240 N ASN A 78 -1.693 -4.122 10.890 1.00 0.00 N ATOM 1241 CA ASN A 78 -1.174 -3.656 12.213 1.00 0.00 C ATOM 1242 C ASN A 78 -1.705 -2.257 12.533 1.00 0.00 C ATOM 1243 O ASN A 78 -0.950 -1.339 12.784 1.00 0.00 O ATOM 1244 CB ASN A 78 0.356 -3.645 12.191 1.00 0.00 C ATOM 1245 CG ASN A 78 0.865 -5.074 11.988 1.00 0.00 C ATOM 1246 OD1 ASN A 78 2.002 -5.279 11.613 1.00 0.00 O ATOM 1247 ND2 ASN A 78 0.062 -6.080 12.214 1.00 0.00 N ATOM 0 H ASN A 78 -2.146 -5.036 10.906 1.00 0.00 H new ATOM 0 HA ASN A 78 -1.518 -4.341 12.988 1.00 0.00 H new ATOM 0 HB2 ASN A 78 0.716 -3.000 11.389 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.742 -3.237 13.125 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.390 -7.036 12.075 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -0.893 -5.909 12.529 1.00 0.00 H new ATOM 1254 N ASP A 79 -3.001 -2.097 12.527 1.00 0.00 N ATOM 1255 CA ASP A 79 -3.620 -0.770 12.839 1.00 0.00 C ATOM 1256 C ASP A 79 -3.078 0.317 11.904 1.00 0.00 C ATOM 1257 O ASP A 79 -3.510 1.451 11.953 1.00 0.00 O ATOM 1258 CB ASP A 79 -3.311 -0.383 14.290 1.00 0.00 C ATOM 1259 CG ASP A 79 -4.076 -1.303 15.243 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -4.996 -1.961 14.788 1.00 0.00 O ATOM 1261 OD2 ASP A 79 -3.727 -1.333 16.412 1.00 0.00 O ATOM 0 H ASP A 79 -3.669 -2.839 12.316 1.00 0.00 H new ATOM 0 HA ASP A 79 -4.697 -0.854 12.697 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.240 -0.460 14.477 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.592 0.655 14.467 1.00 0.00 H new ATOM 1266 N ARG A 80 -2.131 -0.010 11.061 1.00 0.00 N ATOM 1267 CA ARG A 80 -1.558 1.016 10.136 1.00 0.00 C ATOM 1268 C ARG A 80 -2.149 0.834 8.740 1.00 0.00 C ATOM 1269 O ARG A 80 -2.203 -0.259 8.210 1.00 0.00 O ATOM 1270 CB ARG A 80 -0.041 0.843 10.072 1.00 0.00 C ATOM 1271 CG ARG A 80 0.582 2.082 9.431 1.00 0.00 C ATOM 1272 CD ARG A 80 2.103 1.942 9.420 1.00 0.00 C ATOM 1273 NE ARG A 80 2.711 3.242 9.017 1.00 0.00 N ATOM 1274 CZ ARG A 80 2.878 3.538 7.756 1.00 0.00 C ATOM 1275 NH1 ARG A 80 2.517 2.695 6.826 1.00 0.00 N ATOM 1276 NH2 ARG A 80 3.405 4.685 7.429 1.00 0.00 N ATOM 0 H ARG A 80 -1.729 -0.944 10.973 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.800 2.014 10.503 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.362 0.696 11.074 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.211 -0.046 9.493 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.210 2.204 8.414 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.293 2.975 9.985 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.461 1.650 10.407 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.403 1.156 8.727 1.00 0.00 H new ATOM 0 HE ARG A 80 3.000 3.908 9.734 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.102 1.799 7.083 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.650 2.932 5.843 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.684 5.344 8.156 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.539 4.923 6.446 1.00 0.00 H new ATOM 1290 N PHE A 81 -2.598 1.901 8.145 1.00 0.00 N ATOM 1291 CA PHE A 81 -3.194 1.806 6.787 1.00 0.00 C ATOM 1292 C PHE A 81 -2.073 1.697 5.751 1.00 0.00 C ATOM 1293 O PHE A 81 -1.008 2.260 5.912 1.00 0.00 O ATOM 1294 CB PHE A 81 -4.033 3.063 6.522 1.00 0.00 C ATOM 1295 CG PHE A 81 -4.944 3.332 7.710 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -5.764 2.316 8.225 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -4.962 4.605 8.304 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -6.590 2.570 9.326 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -5.791 4.855 9.404 1.00 0.00 C ATOM 1300 CZ PHE A 81 -6.604 3.837 9.915 1.00 0.00 C ATOM 0 H PHE A 81 -2.577 2.840 8.543 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.831 0.924 6.717 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.380 3.919 6.352 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -4.628 2.931 5.618 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.758 1.336 7.771 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.335 5.392 7.911 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.218 1.785 9.721 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.803 5.835 9.859 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.242 4.031 10.765 1.00 0.00 H new ATOM 1310 N GLN A 82 -2.306 0.971 4.690 1.00 0.00 N ATOM 1311 CA GLN A 82 -1.255 0.815 3.637 1.00 0.00 C ATOM 1312 C GLN A 82 -1.918 0.682 2.266 1.00 0.00 C ATOM 1313 O GLN A 82 -3.093 0.394 2.159 1.00 0.00 O ATOM 1314 CB GLN A 82 -0.415 -0.434 3.932 1.00 0.00 C ATOM 1315 CG GLN A 82 -1.296 -1.687 3.877 1.00 0.00 C ATOM 1316 CD GLN A 82 -0.463 -2.917 4.245 1.00 0.00 C ATOM 1317 OE1 GLN A 82 -0.966 -4.021 4.267 1.00 0.00 O ATOM 1318 NE2 GLN A 82 0.804 -2.773 4.529 1.00 0.00 N ATOM 0 H GLN A 82 -3.179 0.478 4.505 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.607 1.692 3.638 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.394 -0.517 3.207 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.046 -0.347 4.916 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.135 -1.584 4.565 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.716 -1.805 2.878 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.229 -1.846 4.511 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.369 -3.588 4.769 1.00 0.00 H new ATOM 1327 N VAL A 83 -1.166 0.887 1.213 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.738 0.771 -0.164 1.00 0.00 C ATOM 1329 C VAL A 83 -1.303 -0.564 -0.779 1.00 0.00 C ATOM 1330 O VAL A 83 -0.129 -0.840 -0.940 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.221 1.934 -1.026 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -2.053 3.194 -0.752 1.00 0.00 C ATOM 1333 CG2 VAL A 83 0.245 2.211 -0.680 1.00 0.00 C ATOM 0 H VAL A 83 -0.176 1.131 1.248 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.826 0.811 -0.119 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.307 1.666 -2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.682 4.015 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.097 3.001 -0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.971 3.462 0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.613 3.036 -1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.326 2.475 0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.840 1.319 -0.877 1.00 0.00 H new ATOM 1343 N GLN A 84 -2.249 -1.397 -1.120 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.914 -2.721 -1.725 1.00 0.00 C ATOM 1345 C GLN A 84 -2.104 -2.640 -3.236 1.00 0.00 C ATOM 1346 O GLN A 84 -3.127 -2.200 -3.721 1.00 0.00 O ATOM 1347 CB GLN A 84 -2.845 -3.791 -1.156 1.00 0.00 C ATOM 1348 CG GLN A 84 -2.538 -3.995 0.327 1.00 0.00 C ATOM 1349 CD GLN A 84 -3.493 -5.038 0.906 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -4.267 -5.636 0.186 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -3.471 -5.282 2.186 1.00 0.00 N ATOM 0 H GLN A 84 -3.246 -1.217 -1.005 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.880 -2.979 -1.495 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.885 -3.490 -1.285 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.714 -4.728 -1.698 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.506 -4.321 0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.643 -3.052 0.864 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.821 -4.779 2.790 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.104 -5.976 2.584 1.00 0.00 H new ATOM 1360 N VAL A 85 -1.123 -3.063 -3.986 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.231 -3.020 -5.473 1.00 0.00 C ATOM 1362 C VAL A 85 -1.634 -4.403 -5.984 1.00 0.00 C ATOM 1363 O VAL A 85 -1.071 -5.406 -5.585 1.00 0.00 O ATOM 1364 CB VAL A 85 0.124 -2.636 -6.059 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.020 -2.387 -7.558 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.628 -1.363 -5.376 1.00 0.00 C ATOM 0 H VAL A 85 -0.244 -3.439 -3.630 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.980 -2.287 -5.772 1.00 0.00 H new ATOM 0 HB VAL A 85 0.835 -3.445 -5.894 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.949 -2.113 -7.976 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.382 -3.293 -8.044 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.730 -1.577 -7.726 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.596 -1.086 -5.792 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.084 -0.554 -5.543 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.731 -1.541 -4.306 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.611 -4.469 -6.857 1.00 0.00 N ATOM 1377 CA ASN A 86 -3.070 -5.790 -7.393 1.00 0.00 C ATOM 1378 C ASN A 86 -3.025 -5.773 -8.922 1.00 0.00 C ATOM 1379 O ASN A 86 -2.491 -4.869 -9.533 1.00 0.00 O ATOM 1380 CB ASN A 86 -4.509 -6.044 -6.940 1.00 0.00 C ATOM 1381 CG ASN A 86 -5.372 -4.821 -7.264 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -5.145 -4.146 -8.249 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -6.358 -4.506 -6.469 1.00 0.00 N ATOM 0 H ASN A 86 -3.113 -3.660 -7.223 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.415 -6.577 -7.019 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.908 -6.926 -7.440 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.534 -6.246 -5.869 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.939 -3.693 -6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -6.548 -5.073 -5.643 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.581 -6.778 -9.536 1.00 0.00 N ATOM 1391 CA LYS A 87 -3.582 -6.857 -11.023 1.00 0.00 C ATOM 1392 C LYS A 87 -4.459 -5.745 -11.609 1.00 0.00 C ATOM 1393 O LYS A 87 -4.274 -5.326 -12.734 1.00 0.00 O ATOM 1394 CB LYS A 87 -4.142 -8.218 -11.436 1.00 0.00 C ATOM 1395 CG LYS A 87 -5.540 -8.393 -10.835 1.00 0.00 C ATOM 1396 CD LYS A 87 -6.075 -9.788 -11.167 1.00 0.00 C ATOM 1397 CE LYS A 87 -7.463 -9.965 -10.545 1.00 0.00 C ATOM 1398 NZ LYS A 87 -7.984 -11.324 -10.866 1.00 0.00 N ATOM 0 H LYS A 87 -4.040 -7.558 -9.066 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.566 -6.736 -11.398 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.189 -8.290 -12.523 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.483 -9.015 -11.092 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.501 -8.256 -9.754 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.213 -7.632 -11.229 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.130 -9.920 -12.248 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.395 -10.550 -10.787 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.408 -9.831 -9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.144 -9.204 -10.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.927 -11.443 -10.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.051 -11.435 -11.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.339 -12.043 -10.481 1.00 0.00 H new ATOM 1412 N ASN A 88 -5.416 -5.271 -10.862 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.306 -4.197 -11.388 1.00 0.00 C ATOM 1414 C ASN A 88 -5.610 -2.838 -11.260 1.00 0.00 C ATOM 1415 O ASN A 88 -6.078 -1.842 -11.775 1.00 0.00 O ATOM 1416 CB ASN A 88 -7.600 -4.175 -10.573 1.00 0.00 C ATOM 1417 CG ASN A 88 -8.362 -5.483 -10.783 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -8.472 -5.967 -11.892 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -8.893 -6.085 -9.753 1.00 0.00 N ATOM 0 H ASN A 88 -5.621 -5.579 -9.912 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.528 -4.393 -12.437 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.373 -4.041 -9.515 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.218 -3.330 -10.876 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.400 -6.961 -9.880 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.801 -5.679 -8.822 1.00 0.00 H new ATOM 1426 N SER A 89 -4.498 -2.789 -10.578 1.00 0.00 N ATOM 1427 CA SER A 89 -3.772 -1.493 -10.416 1.00 0.00 C ATOM 1428 C SER A 89 -2.792 -1.302 -11.578 1.00 0.00 C ATOM 1429 O SER A 89 -2.472 -2.232 -12.293 1.00 0.00 O ATOM 1430 CB SER A 89 -3.002 -1.496 -9.096 1.00 0.00 C ATOM 1431 OG SER A 89 -3.919 -1.362 -8.018 1.00 0.00 O ATOM 0 H SER A 89 -4.059 -3.590 -10.125 1.00 0.00 H new ATOM 0 HA SER A 89 -4.494 -0.676 -10.413 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.436 -2.422 -8.994 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.282 -0.678 -9.080 1.00 0.00 H new ATOM 0 HG SER A 89 -4.826 -1.253 -8.372 1.00 0.00 H new ATOM 1437 N SER A 90 -2.312 -0.099 -11.772 1.00 0.00 N ATOM 1438 CA SER A 90 -1.347 0.175 -12.883 1.00 0.00 C ATOM 1439 C SER A 90 -0.202 1.038 -12.347 1.00 0.00 C ATOM 1440 O SER A 90 -0.349 1.720 -11.351 1.00 0.00 O ATOM 1441 CB SER A 90 -2.070 0.921 -14.003 1.00 0.00 C ATOM 1442 OG SER A 90 -3.013 0.047 -14.605 1.00 0.00 O ATOM 0 H SER A 90 -2.549 0.713 -11.203 1.00 0.00 H new ATOM 0 HA SER A 90 -0.948 -0.762 -13.270 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.573 1.802 -13.605 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.354 1.272 -14.746 1.00 0.00 H new ATOM 0 HG SER A 90 -3.483 0.518 -15.324 1.00 0.00 H new ATOM 1448 N ILE A 91 0.936 1.027 -12.999 1.00 0.00 N ATOM 1449 CA ILE A 91 2.089 1.859 -12.534 1.00 0.00 C ATOM 1450 C ILE A 91 2.739 2.525 -13.748 1.00 0.00 C ATOM 1451 O ILE A 91 3.059 1.869 -14.720 1.00 0.00 O ATOM 1452 CB ILE A 91 3.123 0.965 -11.847 1.00 0.00 C ATOM 1453 CG1 ILE A 91 2.515 0.365 -10.575 1.00 0.00 C ATOM 1454 CG2 ILE A 91 4.359 1.794 -11.488 1.00 0.00 C ATOM 1455 CD1 ILE A 91 3.445 -0.716 -10.025 1.00 0.00 C ATOM 0 H ILE A 91 1.116 0.474 -13.837 1.00 0.00 H new ATOM 0 HA ILE A 91 1.735 2.614 -11.832 1.00 0.00 H new ATOM 0 HB ILE A 91 3.414 0.160 -12.522 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.365 1.145 -9.828 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.535 -0.060 -10.793 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.095 1.156 -10.999 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.790 2.216 -12.396 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.073 2.601 -10.814 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.012 -1.142 -9.120 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.572 -1.500 -10.771 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.415 -0.277 -9.791 1.00 0.00 H new ATOM 1467 N GLU A 92 2.937 3.821 -13.705 1.00 0.00 N ATOM 1468 CA GLU A 92 3.571 4.534 -14.862 1.00 0.00 C ATOM 1469 C GLU A 92 4.775 5.329 -14.355 1.00 0.00 C ATOM 1470 O GLU A 92 4.677 6.088 -13.412 1.00 0.00 O ATOM 1471 CB GLU A 92 2.556 5.498 -15.482 1.00 0.00 C ATOM 1472 CG GLU A 92 1.360 4.713 -16.019 1.00 0.00 C ATOM 1473 CD GLU A 92 1.814 3.800 -17.161 1.00 0.00 C ATOM 1474 OE1 GLU A 92 2.869 4.060 -17.716 1.00 0.00 O ATOM 1475 OE2 GLU A 92 1.096 2.862 -17.465 1.00 0.00 O ATOM 0 H GLU A 92 2.687 4.418 -12.917 1.00 0.00 H new ATOM 0 HA GLU A 92 3.891 3.810 -15.611 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.224 6.220 -14.736 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.023 6.064 -16.288 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.914 4.119 -15.221 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.591 5.400 -16.373 1.00 0.00 H new ATOM 1482 N LYS A 93 5.909 5.159 -14.975 1.00 0.00 N ATOM 1483 CA LYS A 93 7.126 5.899 -14.536 1.00 0.00 C ATOM 1484 C LYS A 93 6.948 7.391 -14.825 1.00 0.00 C ATOM 1485 O LYS A 93 6.452 7.775 -15.866 1.00 0.00 O ATOM 1486 CB LYS A 93 8.334 5.363 -15.306 1.00 0.00 C ATOM 1487 CG LYS A 93 9.607 6.085 -14.858 1.00 0.00 C ATOM 1488 CD LYS A 93 10.806 5.505 -15.612 1.00 0.00 C ATOM 1489 CE LYS A 93 12.085 6.210 -15.158 1.00 0.00 C ATOM 1490 NZ LYS A 93 13.252 5.639 -15.886 1.00 0.00 N ATOM 0 H LYS A 93 6.046 4.536 -15.771 1.00 0.00 H new ATOM 0 HA LYS A 93 7.281 5.760 -13.466 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.436 4.291 -15.137 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.184 5.504 -16.376 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.521 7.154 -15.054 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.747 5.968 -13.783 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.883 4.434 -15.425 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.670 5.632 -16.686 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.011 7.280 -15.351 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.218 6.088 -14.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.122 6.118 -15.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.325 4.622 -15.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.125 5.777 -16.909 1.00 0.00 H new ATOM 1504 N LEU A 94 7.346 8.236 -13.908 1.00 0.00 N ATOM 1505 CA LEU A 94 7.199 9.710 -14.119 1.00 0.00 C ATOM 1506 C LEU A 94 8.548 10.320 -14.487 1.00 0.00 C ATOM 1507 O LEU A 94 9.563 10.035 -13.882 1.00 0.00 O ATOM 1508 CB LEU A 94 6.679 10.348 -12.833 1.00 0.00 C ATOM 1509 CG LEU A 94 5.294 9.780 -12.511 1.00 0.00 C ATOM 1510 CD1 LEU A 94 4.844 10.295 -11.143 1.00 0.00 C ATOM 1511 CD2 LEU A 94 4.277 10.208 -13.591 1.00 0.00 C ATOM 0 H LEU A 94 7.768 7.968 -13.019 1.00 0.00 H new ATOM 0 HA LEU A 94 6.496 9.893 -14.932 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.366 10.149 -12.011 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.623 11.431 -12.947 1.00 0.00 H new ATOM 0 HG LEU A 94 5.347 8.691 -12.494 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.858 9.893 -10.909 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.556 9.976 -10.382 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.797 11.384 -11.162 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.296 9.798 -13.350 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.217 11.296 -13.624 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.599 9.833 -14.563 1.00 0.00 H new ATOM 1523 N SER A 95 8.560 11.157 -15.484 1.00 0.00 N ATOM 1524 CA SER A 95 9.829 11.802 -15.916 1.00 0.00 C ATOM 1525 C SER A 95 10.078 13.051 -15.077 1.00 0.00 C ATOM 1526 O SER A 95 11.078 13.721 -15.241 1.00 0.00 O ATOM 1527 CB SER A 95 9.720 12.210 -17.384 1.00 0.00 C ATOM 1528 OG SER A 95 8.748 13.240 -17.508 1.00 0.00 O ATOM 0 H SER A 95 7.737 11.425 -16.023 1.00 0.00 H new ATOM 0 HA SER A 95 10.651 11.098 -15.786 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.686 12.558 -17.751 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.438 11.351 -17.993 1.00 0.00 H new ATOM 0 HG SER A 95 8.674 13.508 -18.448 1.00 0.00 H new ATOM 1534 N GLU A 96 9.175 13.379 -14.183 1.00 0.00 N ATOM 1535 CA GLU A 96 9.357 14.600 -13.337 1.00 0.00 C ATOM 1536 C GLU A 96 9.653 14.184 -11.880 1.00 0.00 C ATOM 1537 O GLU A 96 8.914 13.410 -11.303 1.00 0.00 O ATOM 1538 CB GLU A 96 8.070 15.430 -13.364 1.00 0.00 C ATOM 1539 CG GLU A 96 8.339 16.795 -12.727 1.00 0.00 C ATOM 1540 CD GLU A 96 9.246 17.619 -13.644 1.00 0.00 C ATOM 1541 OE1 GLU A 96 9.441 17.209 -14.776 1.00 0.00 O ATOM 1542 OE2 GLU A 96 9.736 18.643 -13.196 1.00 0.00 O ATOM 0 H GLU A 96 8.320 12.853 -14.003 1.00 0.00 H new ATOM 0 HA GLU A 96 10.189 15.187 -13.727 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.726 15.556 -14.390 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.278 14.912 -12.823 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.399 17.321 -12.560 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.810 16.666 -11.753 1.00 0.00 H new ATOM 1549 N PRO A 97 10.718 14.684 -11.274 1.00 0.00 N ATOM 1550 CA PRO A 97 11.068 14.333 -9.864 1.00 0.00 C ATOM 1551 C PRO A 97 10.150 15.026 -8.847 1.00 0.00 C ATOM 1552 O PRO A 97 9.640 16.101 -9.090 1.00 0.00 O ATOM 1553 CB PRO A 97 12.522 14.810 -9.723 1.00 0.00 C ATOM 1554 CG PRO A 97 12.646 15.949 -10.683 1.00 0.00 C ATOM 1555 CD PRO A 97 11.696 15.635 -11.846 1.00 0.00 C ATOM 0 HA PRO A 97 10.946 13.269 -9.662 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.737 15.128 -8.703 1.00 0.00 H new ATOM 0 HB3 PRO A 97 13.225 14.012 -9.963 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.378 16.891 -10.205 1.00 0.00 H new ATOM 0 HG3 PRO A 97 13.672 16.051 -11.036 1.00 0.00 H new ATOM 0 HD2 PRO A 97 11.206 16.537 -12.213 1.00 0.00 H new ATOM 0 HD3 PRO A 97 12.231 15.197 -12.689 1.00 0.00 H new ATOM 1563 N ILE A 98 9.945 14.410 -7.710 1.00 0.00 N ATOM 1564 CA ILE A 98 9.066 15.008 -6.653 1.00 0.00 C ATOM 1565 C ILE A 98 9.932 15.424 -5.467 1.00 0.00 C ATOM 1566 O ILE A 98 10.792 14.687 -5.030 1.00 0.00 O ATOM 1567 CB ILE A 98 8.032 13.975 -6.207 1.00 0.00 C ATOM 1568 CG1 ILE A 98 7.134 13.631 -7.397 1.00 0.00 C ATOM 1569 CG2 ILE A 98 7.183 14.555 -5.074 1.00 0.00 C ATOM 1570 CD1 ILE A 98 6.264 12.422 -7.058 1.00 0.00 C ATOM 0 H ILE A 98 10.353 13.508 -7.464 1.00 0.00 H new ATOM 0 HA ILE A 98 8.547 15.881 -7.049 1.00 0.00 H new ATOM 0 HB ILE A 98 8.536 13.076 -5.851 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.504 14.485 -7.647 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.744 13.417 -8.274 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.446 13.817 -4.757 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.826 14.811 -4.232 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.671 15.451 -5.425 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.627 12.182 -7.909 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.901 11.568 -6.830 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.642 12.652 -6.193 1.00 0.00 H new ATOM 1582 N GLU A 99 9.718 16.603 -4.944 1.00 0.00 N ATOM 1583 CA GLU A 99 10.532 17.081 -3.784 1.00 0.00 C ATOM 1584 C GLU A 99 9.694 17.028 -2.510 1.00 0.00 C ATOM 1585 O GLU A 99 8.644 17.633 -2.415 1.00 0.00 O ATOM 1586 CB GLU A 99 10.976 18.523 -4.036 1.00 0.00 C ATOM 1587 CG GLU A 99 11.969 18.565 -5.201 1.00 0.00 C ATOM 1588 CD GLU A 99 13.248 17.815 -4.818 1.00 0.00 C ATOM 1589 OE1 GLU A 99 13.783 18.098 -3.759 1.00 0.00 O ATOM 1590 OE2 GLU A 99 13.667 16.968 -5.590 1.00 0.00 O ATOM 0 H GLU A 99 9.010 17.260 -5.272 1.00 0.00 H new ATOM 0 HA GLU A 99 11.406 16.441 -3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 99 10.110 19.145 -4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 99 11.438 18.933 -3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.523 18.114 -6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.204 19.599 -5.454 1.00 0.00 H new