USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 863 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.498 (180deg=-1.28) USER MOD Single : A 2 THR OG1 : rot -125:sc= 0.497 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.331 K(o=-0.33,f=-1.3) USER MOD Single : A 19 SER OG : rot 180:sc= -0.691! USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.213 F(o=-2.4,f=-0.21) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.282 F(o=-1!,f=-0.28) USER MOD Single : A 32 THR OG1 : rot -75:sc= -3.18! USER MOD Single : A 35 GLN : amide:sc= -0.497 K(o=-0.5,f=-6!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -8.63! C(o=-8.6!,f=-18!) USER MOD Single : A 45 LYS NZ :NH3+ -148:sc= -0.293 (180deg=-1.81!) USER MOD Single : A 47 SER OG : rot 175:sc= -6.36! USER MOD Single : A 48 ASN : amide:sc= -0.596 X(o=-0.6,f=-0.73) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.791 USER MOD Single : A 64 LYS NZ :NH3+ 151:sc= -3.28 (180deg=-4.35!) USER MOD Single : A 67 SER OG : rot 97:sc= 0.782 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.253 F(o=-1.2!,f=-0.25) USER MOD Single : A 70 THR OG1 : rot 46:sc= -0.297! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0278 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0391 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0.639 K(o=0.64,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 160:sc= -0.0134 (180deg=-0.133) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -22:sc= 0.0709! USER MOD Single : A 96 HIS : no HD1:sc= -1.88 X(o=-1.9,f=-1.7) USER MOD Single : A 98 ASN : amide:sc= -0.448 K(o=-0.45,f=-3!) USER MOD Single : A 99 LYS NZ :NH3+ 149:sc= -0.672 (180deg=-1.36) USER MOD Single : A 103 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.019) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 63:sc= 0.394 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -0.698 K(o=-0.7,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -29.902 -6.994 -26.312 1.00 0.00 N ATOM 2 CA MET A 1 -28.632 -6.458 -25.743 1.00 0.00 C ATOM 3 C MET A 1 -28.747 -6.387 -24.224 1.00 0.00 C ATOM 4 O MET A 1 -28.428 -5.367 -23.615 1.00 0.00 O ATOM 5 CB MET A 1 -28.371 -5.060 -26.310 1.00 0.00 C ATOM 6 CG MET A 1 -28.912 -4.974 -27.739 1.00 0.00 C ATOM 7 SD MET A 1 -28.099 -3.612 -28.612 1.00 0.00 S ATOM 8 CE MET A 1 -29.317 -3.434 -29.940 1.00 0.00 C ATOM 0 H1 MET A 1 -29.755 -7.250 -27.309 1.00 0.00 H new ATOM 0 H2 MET A 1 -30.193 -7.837 -25.777 1.00 0.00 H new ATOM 0 H3 MET A 1 -30.645 -6.269 -26.247 1.00 0.00 H new ATOM 0 HA MET A 1 -27.804 -7.115 -26.010 1.00 0.00 H new ATOM 0 HB2 MET A 1 -28.850 -4.308 -25.684 1.00 0.00 H new ATOM 0 HB3 MET A 1 -27.302 -4.848 -26.302 1.00 0.00 H new ATOM 0 HG2 MET A 1 -28.735 -5.913 -28.263 1.00 0.00 H new ATOM 0 HG3 MET A 1 -29.990 -4.817 -27.722 1.00 0.00 H new ATOM 0 HE1 MET A 1 -29.009 -2.632 -30.611 1.00 0.00 H new ATOM 0 HE2 MET A 1 -29.386 -4.368 -30.498 1.00 0.00 H new ATOM 0 HE3 MET A 1 -30.290 -3.195 -29.511 1.00 0.00 H new ATOM 18 N THR A 2 -29.207 -7.477 -23.617 1.00 0.00 N ATOM 19 CA THR A 2 -29.361 -7.522 -22.167 1.00 0.00 C ATOM 20 C THR A 2 -28.419 -8.555 -21.555 1.00 0.00 C ATOM 21 O THR A 2 -27.469 -9.002 -22.197 1.00 0.00 O ATOM 22 CB THR A 2 -30.806 -7.872 -21.806 1.00 0.00 C ATOM 23 OG1 THR A 2 -31.012 -7.650 -20.419 1.00 0.00 O ATOM 24 CG2 THR A 2 -31.076 -9.341 -22.136 1.00 0.00 C ATOM 0 H THR A 2 -29.477 -8.333 -24.101 1.00 0.00 H new ATOM 0 HA THR A 2 -29.112 -6.539 -21.766 1.00 0.00 H new ATOM 0 HB THR A 2 -31.487 -7.243 -22.380 1.00 0.00 H new ATOM 0 HG1 THR A 2 -31.356 -8.469 -20.004 1.00 0.00 H new ATOM 0 HG21 THR A 2 -32.106 -9.589 -21.878 1.00 0.00 H new ATOM 0 HG22 THR A 2 -30.918 -9.510 -23.201 1.00 0.00 H new ATOM 0 HG23 THR A 2 -30.397 -9.973 -21.564 1.00 0.00 H new ATOM 32 N ALA A 3 -28.688 -8.926 -20.307 1.00 0.00 N ATOM 33 CA ALA A 3 -27.860 -9.906 -19.615 1.00 0.00 C ATOM 34 C ALA A 3 -28.673 -10.635 -18.549 1.00 0.00 C ATOM 35 O ALA A 3 -29.844 -10.951 -18.759 1.00 0.00 O ATOM 36 CB ALA A 3 -26.665 -9.208 -18.958 1.00 0.00 C ATOM 0 H ALA A 3 -29.468 -8.565 -19.758 1.00 0.00 H new ATOM 0 HA ALA A 3 -27.502 -10.633 -20.344 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -26.051 -9.946 -18.443 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -26.069 -8.710 -19.723 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -27.024 -8.470 -18.240 1.00 0.00 H new ATOM 42 N GLU A 4 -28.046 -10.895 -17.406 1.00 0.00 N ATOM 43 CA GLU A 4 -28.726 -11.583 -16.315 1.00 0.00 C ATOM 44 C GLU A 4 -29.882 -10.738 -15.791 1.00 0.00 C ATOM 45 O GLU A 4 -29.913 -9.524 -15.992 1.00 0.00 O ATOM 46 CB GLU A 4 -27.744 -11.867 -15.180 1.00 0.00 C ATOM 47 CG GLU A 4 -26.492 -12.538 -15.748 1.00 0.00 C ATOM 48 CD GLU A 4 -25.794 -13.346 -14.660 1.00 0.00 C ATOM 49 OE1 GLU A 4 -25.427 -12.759 -13.657 1.00 0.00 O ATOM 50 OE2 GLU A 4 -25.634 -14.542 -14.849 1.00 0.00 O ATOM 0 H GLU A 4 -27.077 -10.642 -17.212 1.00 0.00 H new ATOM 0 HA GLU A 4 -29.120 -12.526 -16.695 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -27.476 -10.939 -14.676 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -28.209 -12.512 -14.434 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -26.764 -13.190 -16.579 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -25.813 -11.783 -16.144 1.00 0.00 H new ATOM 57 N LEU A 5 -30.832 -11.386 -15.124 1.00 0.00 N ATOM 58 CA LEU A 5 -31.986 -10.678 -14.580 1.00 0.00 C ATOM 59 C LEU A 5 -31.876 -10.548 -13.064 1.00 0.00 C ATOM 60 O LEU A 5 -30.778 -10.547 -12.507 1.00 0.00 O ATOM 61 CB LEU A 5 -33.280 -11.420 -14.929 1.00 0.00 C ATOM 62 CG LEU A 5 -33.176 -12.029 -16.330 1.00 0.00 C ATOM 63 CD1 LEU A 5 -32.706 -10.965 -17.327 1.00 0.00 C ATOM 64 CD2 LEU A 5 -32.180 -13.189 -16.308 1.00 0.00 C ATOM 0 H LEU A 5 -30.827 -12.391 -14.948 1.00 0.00 H new ATOM 0 HA LEU A 5 -32.007 -9.682 -15.023 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -33.467 -12.205 -14.196 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -34.125 -10.733 -14.884 1.00 0.00 H new ATOM 0 HG LEU A 5 -34.155 -12.396 -16.637 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -32.634 -11.405 -18.322 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -33.421 -10.142 -17.345 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -31.728 -10.590 -17.025 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -32.105 -13.623 -17.305 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -31.202 -12.823 -15.997 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -32.522 -13.949 -15.606 1.00 0.00 H new ATOM 76 N GLN A 6 -33.025 -10.438 -12.405 1.00 0.00 N ATOM 77 CA GLN A 6 -33.061 -10.308 -10.952 1.00 0.00 C ATOM 78 C GLN A 6 -34.202 -11.140 -10.375 1.00 0.00 C ATOM 79 O GLN A 6 -34.807 -11.951 -11.076 1.00 0.00 O ATOM 80 CB GLN A 6 -33.256 -8.837 -10.564 1.00 0.00 C ATOM 81 CG GLN A 6 -31.918 -8.217 -10.146 1.00 0.00 C ATOM 82 CD GLN A 6 -31.854 -6.764 -10.607 1.00 0.00 C ATOM 83 OE1 GLN A 6 -32.717 -5.960 -10.252 1.00 0.00 O ATOM 84 NE2 GLN A 6 -30.878 -6.378 -11.383 1.00 0.00 N ATOM 0 H GLN A 6 -33.942 -10.436 -12.852 1.00 0.00 H new ATOM 0 HA GLN A 6 -32.116 -10.669 -10.547 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -33.674 -8.284 -11.405 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -33.972 -8.761 -9.745 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -31.805 -8.270 -9.063 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -31.093 -8.782 -10.580 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -30.165 -7.046 -11.676 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -30.829 -5.409 -11.697 1.00 0.00 H new ATOM 93 N GLN A 7 -34.492 -10.930 -9.096 1.00 0.00 N ATOM 94 CA GLN A 7 -35.566 -11.665 -8.436 1.00 0.00 C ATOM 95 C GLN A 7 -36.486 -10.707 -7.688 1.00 0.00 C ATOM 96 O GLN A 7 -37.104 -9.828 -8.290 1.00 0.00 O ATOM 97 CB GLN A 7 -34.980 -12.683 -7.456 1.00 0.00 C ATOM 98 CG GLN A 7 -36.069 -13.668 -7.028 1.00 0.00 C ATOM 99 CD GLN A 7 -35.508 -14.651 -6.006 1.00 0.00 C ATOM 100 OE1 GLN A 7 -35.376 -14.317 -4.829 1.00 0.00 O ATOM 101 NE2 GLN A 7 -35.172 -15.853 -6.387 1.00 0.00 N ATOM 0 H GLN A 7 -34.003 -10.263 -8.499 1.00 0.00 H new ATOM 0 HA GLN A 7 -36.144 -12.188 -9.198 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -34.154 -13.219 -7.923 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -34.575 -12.171 -6.583 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -36.913 -13.127 -6.600 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -36.445 -14.208 -7.897 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -35.282 -16.128 -7.363 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -34.799 -16.517 -5.709 1.00 0.00 H new ATOM 110 N ASP A 8 -36.571 -10.878 -6.374 1.00 0.00 N ATOM 111 CA ASP A 8 -37.418 -10.018 -5.555 1.00 0.00 C ATOM 112 C ASP A 8 -36.933 -8.575 -5.621 1.00 0.00 C ATOM 113 O ASP A 8 -37.670 -7.643 -5.298 1.00 0.00 O ATOM 114 CB ASP A 8 -37.400 -10.499 -4.104 1.00 0.00 C ATOM 115 CG ASP A 8 -38.732 -11.151 -3.754 1.00 0.00 C ATOM 116 OD1 ASP A 8 -39.143 -12.042 -4.480 1.00 0.00 O ATOM 117 OD2 ASP A 8 -39.324 -10.752 -2.764 1.00 0.00 O ATOM 0 H ASP A 8 -36.068 -11.598 -5.856 1.00 0.00 H new ATOM 0 HA ASP A 8 -38.437 -10.066 -5.940 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -36.588 -11.211 -3.959 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -37.211 -9.659 -3.436 1.00 0.00 H new ATOM 122 N ASP A 9 -35.689 -8.408 -6.043 1.00 0.00 N ATOM 123 CA ASP A 9 -35.094 -7.080 -6.154 1.00 0.00 C ATOM 124 C ASP A 9 -36.065 -6.108 -6.809 1.00 0.00 C ATOM 125 O ASP A 9 -36.275 -4.995 -6.328 1.00 0.00 O ATOM 126 CB ASP A 9 -33.806 -7.150 -6.976 1.00 0.00 C ATOM 127 CG ASP A 9 -33.035 -5.841 -6.852 1.00 0.00 C ATOM 128 OD1 ASP A 9 -33.461 -4.996 -6.082 1.00 0.00 O ATOM 129 OD2 ASP A 9 -32.029 -5.702 -7.528 1.00 0.00 O ATOM 0 H ASP A 9 -35.071 -9.172 -6.314 1.00 0.00 H new ATOM 0 HA ASP A 9 -34.865 -6.723 -5.150 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -33.189 -7.979 -6.630 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -34.043 -7.344 -8.022 1.00 0.00 H new ATOM 134 N ALA A 10 -36.649 -6.547 -7.908 1.00 0.00 N ATOM 135 CA ALA A 10 -37.606 -5.727 -8.646 1.00 0.00 C ATOM 136 C ALA A 10 -37.244 -4.247 -8.549 1.00 0.00 C ATOM 137 O ALA A 10 -36.101 -3.861 -8.796 1.00 0.00 O ATOM 138 CB ALA A 10 -39.016 -5.947 -8.095 1.00 0.00 C ATOM 0 H ALA A 10 -36.481 -7.467 -8.314 1.00 0.00 H new ATOM 0 HA ALA A 10 -37.573 -6.025 -9.694 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -39.724 -5.332 -8.651 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -39.288 -6.997 -8.200 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -39.042 -5.669 -7.041 1.00 0.00 H new ATOM 144 N ALA A 11 -38.227 -3.424 -8.196 1.00 0.00 N ATOM 145 CA ALA A 11 -38.005 -1.985 -8.074 1.00 0.00 C ATOM 146 C ALA A 11 -36.602 -1.694 -7.544 1.00 0.00 C ATOM 147 O ALA A 11 -35.938 -2.573 -6.998 1.00 0.00 O ATOM 148 CB ALA A 11 -39.045 -1.373 -7.134 1.00 0.00 C ATOM 0 H ALA A 11 -39.180 -3.725 -7.990 1.00 0.00 H new ATOM 0 HA ALA A 11 -38.103 -1.540 -9.064 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -38.872 -0.300 -7.049 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -40.044 -1.549 -7.533 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -38.961 -1.833 -6.149 1.00 0.00 H new ATOM 154 N GLY A 12 -36.161 -0.450 -7.711 1.00 0.00 N ATOM 155 CA GLY A 12 -34.838 -0.046 -7.248 1.00 0.00 C ATOM 156 C GLY A 12 -34.737 1.472 -7.150 1.00 0.00 C ATOM 157 O GLY A 12 -35.443 2.197 -7.851 1.00 0.00 O ATOM 0 H GLY A 12 -36.698 0.292 -8.161 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -34.637 -0.492 -6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -34.078 -0.422 -7.933 1.00 0.00 H new ATOM 161 N ALA A 13 -33.856 1.948 -6.277 1.00 0.00 N ATOM 162 CA ALA A 13 -33.674 3.384 -6.096 1.00 0.00 C ATOM 163 C ALA A 13 -32.216 3.702 -5.780 1.00 0.00 C ATOM 164 O ALA A 13 -31.310 3.287 -6.501 1.00 0.00 O ATOM 165 CB ALA A 13 -34.565 3.886 -4.958 1.00 0.00 C ATOM 0 H ALA A 13 -33.261 1.366 -5.688 1.00 0.00 H new ATOM 0 HA ALA A 13 -33.953 3.886 -7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -34.422 4.959 -4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -35.609 3.685 -5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -34.299 3.372 -4.034 1.00 0.00 H new ATOM 171 N ALA A 14 -32.000 4.441 -4.698 1.00 0.00 N ATOM 172 CA ALA A 14 -30.648 4.808 -4.295 1.00 0.00 C ATOM 173 C ALA A 14 -30.497 4.711 -2.781 1.00 0.00 C ATOM 174 O ALA A 14 -31.300 5.266 -2.032 1.00 0.00 O ATOM 175 CB ALA A 14 -30.338 6.235 -4.751 1.00 0.00 C ATOM 0 H ALA A 14 -32.737 4.795 -4.088 1.00 0.00 H new ATOM 0 HA ALA A 14 -29.947 4.117 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -29.326 6.503 -4.446 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -30.418 6.296 -5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -31.048 6.925 -4.296 1.00 0.00 H new ATOM 181 N ASP A 15 -29.463 4.004 -2.337 1.00 0.00 N ATOM 182 CA ASP A 15 -29.222 3.844 -0.908 1.00 0.00 C ATOM 183 C ASP A 15 -29.594 5.123 -0.164 1.00 0.00 C ATOM 184 O ASP A 15 -29.699 6.192 -0.764 1.00 0.00 O ATOM 185 CB ASP A 15 -27.751 3.510 -0.658 1.00 0.00 C ATOM 186 CG ASP A 15 -27.545 1.999 -0.698 1.00 0.00 C ATOM 187 OD1 ASP A 15 -28.449 1.287 -0.292 1.00 0.00 O ATOM 188 OD2 ASP A 15 -26.487 1.576 -1.134 1.00 0.00 O ATOM 0 H ASP A 15 -28.785 3.537 -2.939 1.00 0.00 H new ATOM 0 HA ASP A 15 -29.842 3.026 -0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -27.127 3.990 -1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -27.440 3.902 0.310 1.00 0.00 H new ATOM 193 N GLY A 16 -29.793 5.006 1.144 1.00 0.00 N ATOM 194 CA GLY A 16 -30.154 6.163 1.956 1.00 0.00 C ATOM 195 C GLY A 16 -29.005 6.565 2.872 1.00 0.00 C ATOM 196 O GLY A 16 -29.215 6.897 4.039 1.00 0.00 O ATOM 0 H GLY A 16 -29.712 4.131 1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -30.417 6.999 1.308 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -31.036 5.932 2.553 1.00 0.00 H new ATOM 200 N HIS A 17 -27.791 6.531 2.335 1.00 0.00 N ATOM 201 CA HIS A 17 -26.612 6.894 3.110 1.00 0.00 C ATOM 202 C HIS A 17 -25.540 7.490 2.203 1.00 0.00 C ATOM 203 O HIS A 17 -24.352 7.447 2.519 1.00 0.00 O ATOM 204 CB HIS A 17 -26.054 5.659 3.820 1.00 0.00 C ATOM 205 CG HIS A 17 -25.321 6.086 5.062 1.00 0.00 C ATOM 206 ND1 HIS A 17 -24.948 7.401 5.285 1.00 0.00 N ATOM 207 CD2 HIS A 17 -24.888 5.382 6.158 1.00 0.00 C ATOM 208 CE1 HIS A 17 -24.320 7.449 6.473 1.00 0.00 C ATOM 209 NE2 HIS A 17 -24.256 6.245 7.047 1.00 0.00 N ATOM 0 H HIS A 17 -27.598 6.257 1.371 1.00 0.00 H new ATOM 0 HA HIS A 17 -26.901 7.639 3.851 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -26.864 4.977 4.079 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -25.381 5.117 3.156 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -25.018 4.320 6.307 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -23.917 8.351 6.909 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -23.834 6.009 7.945 1.00 0.00 H new ATOM 217 N GLY A 18 -25.970 8.040 1.073 1.00 0.00 N ATOM 218 CA GLY A 18 -25.038 8.640 0.125 1.00 0.00 C ATOM 219 C GLY A 18 -24.891 10.136 0.372 1.00 0.00 C ATOM 220 O GLY A 18 -25.084 10.946 -0.535 1.00 0.00 O ATOM 0 H GLY A 18 -26.950 8.083 0.792 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -24.065 8.157 0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -25.389 8.469 -0.893 1.00 0.00 H new ATOM 224 N SER A 19 -24.545 10.500 1.603 1.00 0.00 N ATOM 225 CA SER A 19 -24.374 11.907 1.949 1.00 0.00 C ATOM 226 C SER A 19 -22.893 12.253 2.064 1.00 0.00 C ATOM 227 O SER A 19 -22.222 12.486 1.059 1.00 0.00 O ATOM 228 CB SER A 19 -25.077 12.211 3.272 1.00 0.00 C ATOM 229 OG SER A 19 -24.529 13.398 3.832 1.00 0.00 O ATOM 0 H SER A 19 -24.379 9.848 2.370 1.00 0.00 H new ATOM 0 HA SER A 19 -24.817 12.512 1.158 1.00 0.00 H new ATOM 0 HB2 SER A 19 -26.148 12.333 3.109 1.00 0.00 H new ATOM 0 HB3 SER A 19 -24.953 11.378 3.963 1.00 0.00 H new ATOM 0 HG SER A 19 -24.978 13.597 4.680 1.00 0.00 H new ATOM 235 N SER A 20 -22.389 12.285 3.293 1.00 0.00 N ATOM 236 CA SER A 20 -20.984 12.602 3.519 1.00 0.00 C ATOM 237 C SER A 20 -20.699 14.060 3.169 1.00 0.00 C ATOM 238 O SER A 20 -21.582 14.780 2.704 1.00 0.00 O ATOM 239 CB SER A 20 -20.104 11.685 2.669 1.00 0.00 C ATOM 240 OG SER A 20 -19.342 10.842 3.524 1.00 0.00 O ATOM 0 H SER A 20 -22.926 12.097 4.140 1.00 0.00 H new ATOM 0 HA SER A 20 -20.758 12.447 4.574 1.00 0.00 H new ATOM 0 HB2 SER A 20 -20.722 11.083 2.003 1.00 0.00 H new ATOM 0 HB3 SER A 20 -19.441 12.279 2.039 1.00 0.00 H new ATOM 0 HG SER A 20 -18.778 10.251 2.983 1.00 0.00 H new ATOM 246 N CYS A 21 -19.463 14.490 3.399 1.00 0.00 N ATOM 247 CA CYS A 21 -19.080 15.867 3.108 1.00 0.00 C ATOM 248 C CYS A 21 -17.830 15.909 2.234 1.00 0.00 C ATOM 249 O CYS A 21 -17.153 14.898 2.047 1.00 0.00 O ATOM 250 CB CYS A 21 -18.820 16.622 4.411 1.00 0.00 C ATOM 251 SG CYS A 21 -20.243 17.674 4.791 1.00 0.00 S ATOM 0 H CYS A 21 -18.716 13.911 3.782 1.00 0.00 H new ATOM 0 HA CYS A 21 -19.899 16.343 2.568 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -18.648 15.917 5.224 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.919 17.229 4.319 1.00 0.00 H new ATOM 0 HG CYS A 21 -20.025 18.315 5.900 1.00 0.00 H new ATOM 257 N GLN A 22 -17.535 17.087 1.695 1.00 0.00 N ATOM 258 CA GLN A 22 -16.369 17.259 0.836 1.00 0.00 C ATOM 259 C GLN A 22 -15.101 17.446 1.665 1.00 0.00 C ATOM 260 O GLN A 22 -13.991 17.375 1.138 1.00 0.00 O ATOM 261 CB GLN A 22 -16.567 18.476 -0.070 1.00 0.00 C ATOM 262 CG GLN A 22 -18.035 18.566 -0.494 1.00 0.00 C ATOM 263 CD GLN A 22 -18.382 17.410 -1.426 1.00 0.00 C ATOM 264 OE1 GLN A 22 -17.763 17.252 -2.479 1.00 0.00 O ATOM 265 NE2 GLN A 22 -19.340 16.587 -1.099 1.00 0.00 N ATOM 0 H GLN A 22 -18.085 17.934 1.837 1.00 0.00 H new ATOM 0 HA GLN A 22 -16.259 16.360 0.229 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -16.273 19.385 0.455 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -15.928 18.395 -0.949 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -18.678 18.540 0.386 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -18.219 19.516 -0.996 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -19.851 16.720 -0.226 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -19.578 15.810 -1.716 1.00 0.00 H new ATOM 274 N MET A 23 -15.271 17.700 2.957 1.00 0.00 N ATOM 275 CA MET A 23 -14.130 17.913 3.842 1.00 0.00 C ATOM 276 C MET A 23 -13.143 16.757 3.767 1.00 0.00 C ATOM 277 O MET A 23 -11.939 16.944 3.934 1.00 0.00 O ATOM 278 CB MET A 23 -14.609 18.078 5.287 1.00 0.00 C ATOM 279 CG MET A 23 -15.370 19.398 5.432 1.00 0.00 C ATOM 280 SD MET A 23 -15.309 19.941 7.158 1.00 0.00 S ATOM 281 CE MET A 23 -16.515 21.282 7.020 1.00 0.00 C ATOM 0 H MET A 23 -16.181 17.763 3.414 1.00 0.00 H new ATOM 0 HA MET A 23 -13.623 18.820 3.514 1.00 0.00 H new ATOM 0 HB2 MET A 23 -15.253 17.244 5.564 1.00 0.00 H new ATOM 0 HB3 MET A 23 -13.757 18.062 5.967 1.00 0.00 H new ATOM 0 HG2 MET A 23 -14.930 20.157 4.785 1.00 0.00 H new ATOM 0 HG3 MET A 23 -16.405 19.270 5.116 1.00 0.00 H new ATOM 0 HE1 MET A 23 -16.635 21.765 7.990 1.00 0.00 H new ATOM 0 HE2 MET A 23 -16.164 22.013 6.292 1.00 0.00 H new ATOM 0 HE3 MET A 23 -17.474 20.877 6.695 1.00 0.00 H new ATOM 291 N LEU A 24 -13.662 15.567 3.530 1.00 0.00 N ATOM 292 CA LEU A 24 -12.820 14.375 3.454 1.00 0.00 C ATOM 293 C LEU A 24 -11.927 14.395 2.222 1.00 0.00 C ATOM 294 O LEU A 24 -10.701 14.377 2.328 1.00 0.00 O ATOM 295 CB LEU A 24 -13.687 13.112 3.438 1.00 0.00 C ATOM 296 CG LEU A 24 -14.861 13.292 2.471 1.00 0.00 C ATOM 297 CD1 LEU A 24 -14.684 12.355 1.273 1.00 0.00 C ATOM 298 CD2 LEU A 24 -16.170 12.950 3.191 1.00 0.00 C ATOM 0 H LEU A 24 -14.657 15.394 3.387 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.181 14.370 4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.087 12.253 3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.060 12.905 4.441 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.891 14.325 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.519 12.483 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.752 12.592 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.655 11.322 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.007 13.078 2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.137 11.916 3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -16.298 13.613 4.047 1.00 0.00 H new ATOM 310 N LEU A 25 -12.554 14.425 1.065 1.00 0.00 N ATOM 311 CA LEU A 25 -11.823 14.437 -0.196 1.00 0.00 C ATOM 312 C LEU A 25 -10.968 15.692 -0.318 1.00 0.00 C ATOM 313 O LEU A 25 -9.844 15.642 -0.817 1.00 0.00 O ATOM 314 CB LEU A 25 -12.809 14.374 -1.365 1.00 0.00 C ATOM 315 CG LEU A 25 -13.957 15.361 -1.128 1.00 0.00 C ATOM 316 CD1 LEU A 25 -13.613 16.710 -1.757 1.00 0.00 C ATOM 317 CD2 LEU A 25 -15.232 14.807 -1.764 1.00 0.00 C ATOM 0 H LEU A 25 -13.569 14.442 0.966 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.167 13.567 -0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.298 14.613 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.202 13.362 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.110 15.496 -0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -14.431 17.410 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -12.701 17.100 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.461 16.583 -2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -16.053 15.504 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -15.077 14.675 -2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.476 13.846 -1.312 1.00 0.00 H new ATOM 329 N ASN A 26 -11.509 16.816 0.138 1.00 0.00 N ATOM 330 CA ASN A 26 -10.788 18.079 0.072 1.00 0.00 C ATOM 331 C ASN A 26 -9.534 18.029 0.930 1.00 0.00 C ATOM 332 O ASN A 26 -8.419 18.226 0.444 1.00 0.00 O ATOM 333 CB ASN A 26 -11.695 19.219 0.542 1.00 0.00 C ATOM 334 CG ASN A 26 -11.309 20.517 -0.161 1.00 0.00 C ATOM 335 OD1 ASN A 26 -10.066 20.718 -0.499 1.00 0.00 O flip ATOM 336 ND2 ASN A 26 -12.163 21.367 -0.410 1.00 0.00 N flip ATOM 0 H ASN A 26 -12.438 16.878 0.554 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.491 18.255 -0.962 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -12.736 18.977 0.330 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -11.609 19.341 1.622 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -13.135 21.207 -0.144 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -11.899 22.232 -0.882 1.00 0.00 H new ATOM 343 N GLN A 27 -9.730 17.766 2.207 1.00 0.00 N ATOM 344 CA GLN A 27 -8.616 17.690 3.147 1.00 0.00 C ATOM 345 C GLN A 27 -7.553 16.713 2.655 1.00 0.00 C ATOM 346 O GLN A 27 -6.397 17.086 2.462 1.00 0.00 O ATOM 347 CB GLN A 27 -9.110 17.230 4.523 1.00 0.00 C ATOM 348 CG GLN A 27 -9.724 18.402 5.294 1.00 0.00 C ATOM 349 CD GLN A 27 -9.322 18.319 6.762 1.00 0.00 C ATOM 350 OE1 GLN A 27 -8.110 17.949 7.077 1.00 0.00 O flip ATOM 351 NE2 GLN A 27 -10.133 18.596 7.646 1.00 0.00 N flip ATOM 0 H GLN A 27 -10.647 17.601 2.622 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.180 18.686 3.224 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.850 16.438 4.404 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.281 16.808 5.091 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.387 19.347 4.868 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.810 18.381 5.203 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.079 18.885 7.398 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.859 18.537 8.627 1.00 0.00 H new ATOM 360 N LEU A 28 -7.950 15.462 2.462 1.00 0.00 N ATOM 361 CA LEU A 28 -7.032 14.436 2.010 1.00 0.00 C ATOM 362 C LEU A 28 -6.303 14.877 0.739 1.00 0.00 C ATOM 363 O LEU A 28 -5.073 14.921 0.705 1.00 0.00 O ATOM 364 CB LEU A 28 -7.841 13.164 1.759 1.00 0.00 C ATOM 365 CG LEU A 28 -6.994 12.101 1.058 1.00 0.00 C ATOM 366 CD1 LEU A 28 -6.220 11.253 2.077 1.00 0.00 C ATOM 367 CD2 LEU A 28 -7.936 11.219 0.239 1.00 0.00 C ATOM 0 H LEU A 28 -8.905 15.137 2.613 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.270 14.254 2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.211 12.772 2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.713 13.399 1.149 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.259 12.580 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.626 10.505 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.561 11.896 2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.923 10.755 2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.360 10.449 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.661 10.748 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.460 11.830 -0.496 1.00 0.00 H new ATOM 379 N ARG A 29 -7.063 15.189 -0.305 1.00 0.00 N ATOM 380 CA ARG A 29 -6.469 15.608 -1.572 1.00 0.00 C ATOM 381 C ARG A 29 -5.614 16.859 -1.396 1.00 0.00 C ATOM 382 O ARG A 29 -4.741 17.141 -2.216 1.00 0.00 O ATOM 383 CB ARG A 29 -7.567 15.881 -2.601 1.00 0.00 C ATOM 384 CG ARG A 29 -6.988 15.743 -4.010 1.00 0.00 C ATOM 385 CD ARG A 29 -7.986 16.288 -5.033 1.00 0.00 C ATOM 386 NE ARG A 29 -7.511 16.026 -6.387 1.00 0.00 N ATOM 387 CZ ARG A 29 -8.108 16.569 -7.443 1.00 0.00 C ATOM 388 NH1 ARG A 29 -9.135 17.359 -7.279 1.00 0.00 N ATOM 389 NH2 ARG A 29 -7.666 16.314 -8.645 1.00 0.00 N ATOM 0 H ARG A 29 -8.083 15.161 -0.301 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.828 14.800 -1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.391 15.181 -2.464 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.973 16.883 -2.459 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.046 16.287 -4.081 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.769 14.697 -4.223 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.961 15.823 -4.885 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.119 17.360 -4.887 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.706 15.415 -6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.479 17.560 -6.340 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.593 17.775 -8.090 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.863 15.698 -8.773 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.124 16.730 -9.456 1.00 0.00 H new ATOM 403 N GLU A 30 -5.868 17.610 -0.331 1.00 0.00 N ATOM 404 CA GLU A 30 -5.109 18.831 -0.076 1.00 0.00 C ATOM 405 C GLU A 30 -3.793 18.513 0.628 1.00 0.00 C ATOM 406 O GLU A 30 -2.777 19.165 0.390 1.00 0.00 O ATOM 407 CB GLU A 30 -5.936 19.790 0.779 1.00 0.00 C ATOM 408 CG GLU A 30 -6.800 20.662 -0.134 1.00 0.00 C ATOM 409 CD GLU A 30 -6.135 22.019 -0.341 1.00 0.00 C ATOM 410 OE1 GLU A 30 -5.195 22.084 -1.115 1.00 0.00 O ATOM 411 OE2 GLU A 30 -6.577 22.974 0.277 1.00 0.00 O ATOM 0 H GLU A 30 -6.585 17.400 0.363 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.884 19.302 -1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.566 19.229 1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.279 20.415 1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.943 20.167 -1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.788 20.795 0.306 1.00 0.00 H new ATOM 418 N ILE A 31 -3.821 17.506 1.493 1.00 0.00 N ATOM 419 CA ILE A 31 -2.625 17.104 2.226 1.00 0.00 C ATOM 420 C ILE A 31 -1.651 16.392 1.311 1.00 0.00 C ATOM 421 O ILE A 31 -0.468 16.725 1.242 1.00 0.00 O ATOM 422 CB ILE A 31 -3.008 16.158 3.363 1.00 0.00 C ATOM 423 CG1 ILE A 31 -3.988 16.865 4.295 1.00 0.00 C ATOM 424 CG2 ILE A 31 -1.754 15.762 4.142 1.00 0.00 C ATOM 425 CD1 ILE A 31 -4.807 15.835 5.076 1.00 0.00 C ATOM 0 H ILE A 31 -4.653 16.955 1.704 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.154 18.002 2.626 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.475 15.262 2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.444 17.509 4.986 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.653 17.507 3.717 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.027 15.087 4.953 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.054 15.261 3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.285 16.655 4.556 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.503 16.350 5.738 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.365 15.209 4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.137 15.211 5.668 1.00 0.00 H new ATOM 437 N THR A 32 -2.173 15.394 0.637 1.00 0.00 N ATOM 438 CA THR A 32 -1.383 14.579 -0.271 1.00 0.00 C ATOM 439 C THR A 32 -1.181 15.271 -1.616 1.00 0.00 C ATOM 440 O THR A 32 -0.130 15.128 -2.241 1.00 0.00 O ATOM 441 CB THR A 32 -2.098 13.249 -0.481 1.00 0.00 C ATOM 442 OG1 THR A 32 -3.141 13.426 -1.429 1.00 0.00 O ATOM 443 CG2 THR A 32 -2.692 12.774 0.845 1.00 0.00 C ATOM 0 H THR A 32 -3.154 15.121 0.699 1.00 0.00 H new ATOM 0 HA THR A 32 -0.399 14.420 0.170 1.00 0.00 H new ATOM 0 HB THR A 32 -1.390 12.506 -0.847 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.889 13.900 -1.008 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.203 11.823 0.695 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.894 12.645 1.576 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.403 13.514 1.211 1.00 0.00 H new ATOM 451 N GLY A 33 -2.191 16.007 -2.066 1.00 0.00 N ATOM 452 CA GLY A 33 -2.094 16.696 -3.352 1.00 0.00 C ATOM 453 C GLY A 33 -2.052 15.682 -4.486 1.00 0.00 C ATOM 454 O GLY A 33 -1.338 15.858 -5.474 1.00 0.00 O ATOM 0 H GLY A 33 -3.073 16.142 -1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.946 17.363 -3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.198 17.316 -3.375 1.00 0.00 H new ATOM 458 N ILE A 34 -2.799 14.605 -4.308 1.00 0.00 N ATOM 459 CA ILE A 34 -2.839 13.524 -5.281 1.00 0.00 C ATOM 460 C ILE A 34 -3.922 13.751 -6.333 1.00 0.00 C ATOM 461 O ILE A 34 -4.900 14.460 -6.095 1.00 0.00 O ATOM 462 CB ILE A 34 -3.094 12.220 -4.532 1.00 0.00 C ATOM 463 CG1 ILE A 34 -2.047 12.100 -3.410 1.00 0.00 C ATOM 464 CG2 ILE A 34 -3.024 11.035 -5.500 1.00 0.00 C ATOM 465 CD1 ILE A 34 -0.885 11.217 -3.833 1.00 0.00 C ATOM 0 H ILE A 34 -3.391 14.455 -3.491 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.886 13.483 -5.809 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.091 12.216 -4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.677 13.091 -3.147 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.514 11.687 -2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.207 10.109 -4.955 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.779 11.155 -6.277 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.035 10.997 -5.958 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.163 11.152 -3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.254 10.219 -4.071 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.404 11.645 -4.712 1.00 0.00 H new ATOM 477 N GLN A 35 -3.731 13.140 -7.500 1.00 0.00 N ATOM 478 CA GLN A 35 -4.686 13.271 -8.597 1.00 0.00 C ATOM 479 C GLN A 35 -5.203 11.900 -9.026 1.00 0.00 C ATOM 480 O GLN A 35 -5.660 11.726 -10.155 1.00 0.00 O ATOM 481 CB GLN A 35 -4.025 13.962 -9.791 1.00 0.00 C ATOM 482 CG GLN A 35 -3.559 15.360 -9.382 1.00 0.00 C ATOM 483 CD GLN A 35 -2.056 15.352 -9.125 1.00 0.00 C ATOM 484 OE1 GLN A 35 -1.586 14.679 -8.209 1.00 0.00 O ATOM 485 NE2 GLN A 35 -1.270 16.066 -9.884 1.00 0.00 N ATOM 0 H GLN A 35 -2.925 12.551 -7.710 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.525 13.873 -8.249 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.177 13.373 -10.141 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.729 14.031 -10.620 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.799 16.077 -10.167 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.088 15.681 -8.485 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.662 16.623 -10.643 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.264 16.067 -9.718 1.00 0.00 H new ATOM 494 N ASP A 36 -5.131 10.933 -8.119 1.00 0.00 N ATOM 495 CA ASP A 36 -5.596 9.584 -8.415 1.00 0.00 C ATOM 496 C ASP A 36 -6.712 9.205 -7.451 1.00 0.00 C ATOM 497 O ASP A 36 -6.526 8.371 -6.565 1.00 0.00 O ATOM 498 CB ASP A 36 -4.440 8.589 -8.282 1.00 0.00 C ATOM 499 CG ASP A 36 -3.987 8.129 -9.664 1.00 0.00 C ATOM 500 OD1 ASP A 36 -4.234 8.849 -10.617 1.00 0.00 O ATOM 501 OD2 ASP A 36 -3.399 7.063 -9.747 1.00 0.00 O ATOM 0 H ASP A 36 -4.757 11.057 -7.178 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.974 9.554 -9.437 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.608 9.054 -7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.755 7.730 -7.689 1.00 0.00 H new ATOM 506 N PRO A 37 -7.858 9.819 -7.595 1.00 0.00 N ATOM 507 CA PRO A 37 -9.027 9.568 -6.711 1.00 0.00 C ATOM 508 C PRO A 37 -9.111 8.121 -6.269 1.00 0.00 C ATOM 509 O PRO A 37 -9.744 7.792 -5.266 1.00 0.00 O ATOM 510 CB PRO A 37 -10.195 9.932 -7.610 1.00 0.00 C ATOM 511 CG PRO A 37 -9.686 11.038 -8.476 1.00 0.00 C ATOM 512 CD PRO A 37 -8.173 10.824 -8.623 1.00 0.00 C ATOM 0 HA PRO A 37 -8.987 10.136 -5.781 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.514 9.078 -8.207 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.058 10.253 -7.026 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.175 11.023 -9.450 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.898 12.009 -8.028 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.914 10.470 -9.621 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.621 11.749 -8.460 1.00 0.00 H new ATOM 520 N SER A 38 -8.458 7.272 -7.030 1.00 0.00 N ATOM 521 CA SER A 38 -8.435 5.846 -6.735 1.00 0.00 C ATOM 522 C SER A 38 -7.533 5.559 -5.538 1.00 0.00 C ATOM 523 O SER A 38 -7.952 4.913 -4.574 1.00 0.00 O ATOM 524 CB SER A 38 -7.933 5.067 -7.951 1.00 0.00 C ATOM 525 OG SER A 38 -8.613 3.822 -8.024 1.00 0.00 O ATOM 0 H SER A 38 -7.932 7.540 -7.862 1.00 0.00 H new ATOM 0 HA SER A 38 -9.450 5.530 -6.495 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.104 5.642 -8.861 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.858 4.903 -7.874 1.00 0.00 H new ATOM 0 HG SER A 38 -8.295 3.321 -8.804 1.00 0.00 H new ATOM 531 N PHE A 39 -6.295 6.047 -5.594 1.00 0.00 N ATOM 532 CA PHE A 39 -5.364 5.829 -4.501 1.00 0.00 C ATOM 533 C PHE A 39 -5.820 6.633 -3.277 1.00 0.00 C ATOM 534 O PHE A 39 -5.535 6.262 -2.130 1.00 0.00 O ATOM 535 CB PHE A 39 -3.934 6.199 -4.965 1.00 0.00 C ATOM 536 CG PHE A 39 -3.275 7.152 -4.007 1.00 0.00 C ATOM 537 CD1 PHE A 39 -3.874 8.372 -3.740 1.00 0.00 C ATOM 538 CD2 PHE A 39 -2.058 6.820 -3.400 1.00 0.00 C ATOM 539 CE1 PHE A 39 -3.282 9.267 -2.859 1.00 0.00 C ATOM 540 CE2 PHE A 39 -1.453 7.722 -2.519 1.00 0.00 C ATOM 541 CZ PHE A 39 -2.074 8.948 -2.243 1.00 0.00 C ATOM 0 H PHE A 39 -5.922 6.588 -6.374 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.347 4.779 -4.209 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.333 5.294 -5.052 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.977 6.649 -5.957 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.807 8.629 -4.220 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.588 5.871 -3.611 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.759 10.213 -2.651 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.511 7.475 -2.053 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.617 9.643 -1.555 1.00 0.00 H new ATOM 551 N LEU A 40 -6.568 7.720 -3.526 1.00 0.00 N ATOM 552 CA LEU A 40 -7.082 8.543 -2.435 1.00 0.00 C ATOM 553 C LEU A 40 -8.151 7.759 -1.689 1.00 0.00 C ATOM 554 O LEU A 40 -8.024 7.484 -0.495 1.00 0.00 O ATOM 555 CB LEU A 40 -7.705 9.850 -2.959 1.00 0.00 C ATOM 556 CG LEU A 40 -6.608 10.824 -3.412 1.00 0.00 C ATOM 557 CD1 LEU A 40 -6.916 11.356 -4.808 1.00 0.00 C ATOM 558 CD2 LEU A 40 -6.515 12.000 -2.442 1.00 0.00 C ATOM 0 H LEU A 40 -6.824 8.041 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.250 8.797 -1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.374 9.633 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.309 10.311 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.660 10.287 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.130 12.045 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.966 10.525 -5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.872 11.879 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.734 12.684 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.470 12.525 -2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.275 11.631 -1.445 1.00 0.00 H new ATOM 570 N HIS A 41 -9.201 7.383 -2.417 1.00 0.00 N ATOM 571 CA HIS A 41 -10.283 6.612 -1.827 1.00 0.00 C ATOM 572 C HIS A 41 -9.724 5.324 -1.235 1.00 0.00 C ATOM 573 O HIS A 41 -10.270 4.775 -0.275 1.00 0.00 O ATOM 574 CB HIS A 41 -11.355 6.310 -2.885 1.00 0.00 C ATOM 575 CG HIS A 41 -11.211 4.901 -3.401 1.00 0.00 C ATOM 576 ND1 HIS A 41 -9.978 4.334 -3.681 1.00 0.00 N ATOM 577 CD2 HIS A 41 -12.143 3.940 -3.705 1.00 0.00 C ATOM 578 CE1 HIS A 41 -10.198 3.086 -4.134 1.00 0.00 C ATOM 579 NE2 HIS A 41 -11.502 2.795 -4.168 1.00 0.00 N ATOM 0 H HIS A 41 -9.321 7.599 -3.407 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.750 7.190 -1.029 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.347 6.445 -2.454 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.267 7.016 -3.711 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -9.069 4.781 -3.565 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -13.212 4.055 -3.601 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -9.417 2.403 -4.433 1.00 0.00 H new ATOM 587 N GLU A 42 -8.616 4.856 -1.805 1.00 0.00 N ATOM 588 CA GLU A 42 -7.981 3.646 -1.314 1.00 0.00 C ATOM 589 C GLU A 42 -7.548 3.845 0.132 1.00 0.00 C ATOM 590 O GLU A 42 -7.951 3.098 1.027 1.00 0.00 O ATOM 591 CB GLU A 42 -6.766 3.300 -2.179 1.00 0.00 C ATOM 592 CG GLU A 42 -6.157 1.980 -1.702 1.00 0.00 C ATOM 593 CD GLU A 42 -5.283 1.379 -2.797 1.00 0.00 C ATOM 594 OE1 GLU A 42 -5.191 1.983 -3.854 1.00 0.00 O ATOM 595 OE2 GLU A 42 -4.718 0.324 -2.563 1.00 0.00 O ATOM 0 H GLU A 42 -8.147 5.294 -2.598 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.695 2.824 -1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.062 3.219 -3.225 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.025 4.097 -2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.563 2.148 -0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.949 1.281 -1.434 1.00 0.00 H new ATOM 602 N ALA A 43 -6.735 4.867 0.361 1.00 0.00 N ATOM 603 CA ALA A 43 -6.267 5.157 1.711 1.00 0.00 C ATOM 604 C ALA A 43 -7.448 5.409 2.641 1.00 0.00 C ATOM 605 O ALA A 43 -7.436 4.997 3.801 1.00 0.00 O ATOM 606 CB ALA A 43 -5.371 6.390 1.702 1.00 0.00 C ATOM 0 H ALA A 43 -6.389 5.502 -0.359 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.703 4.296 2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.027 6.597 2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.511 6.210 1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.933 7.245 1.327 1.00 0.00 H new ATOM 612 N LEU A 44 -8.461 6.091 2.125 1.00 0.00 N ATOM 613 CA LEU A 44 -9.644 6.397 2.922 1.00 0.00 C ATOM 614 C LEU A 44 -10.404 5.117 3.236 1.00 0.00 C ATOM 615 O LEU A 44 -11.124 5.039 4.231 1.00 0.00 O ATOM 616 CB LEU A 44 -10.546 7.382 2.168 1.00 0.00 C ATOM 617 CG LEU A 44 -10.053 8.837 2.328 1.00 0.00 C ATOM 618 CD1 LEU A 44 -10.502 9.394 3.675 1.00 0.00 C ATOM 619 CD2 LEU A 44 -8.521 8.927 2.233 1.00 0.00 C ATOM 0 H LEU A 44 -8.490 6.441 1.167 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.332 6.858 3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.570 7.119 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.567 7.300 2.540 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.486 9.423 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.150 10.420 3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.590 9.376 3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.087 8.784 4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.210 9.965 2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.071 8.322 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.194 8.558 1.261 1.00 0.00 H new ATOM 631 N LYS A 45 -10.229 4.109 2.390 1.00 0.00 N ATOM 632 CA LYS A 45 -10.895 2.833 2.604 1.00 0.00 C ATOM 633 C LYS A 45 -10.120 1.998 3.624 1.00 0.00 C ATOM 634 O LYS A 45 -10.703 1.199 4.358 1.00 0.00 O ATOM 635 CB LYS A 45 -11.015 2.077 1.272 1.00 0.00 C ATOM 636 CG LYS A 45 -9.996 0.934 1.217 1.00 0.00 C ATOM 637 CD LYS A 45 -9.852 0.447 -0.224 1.00 0.00 C ATOM 638 CE LYS A 45 -9.829 -1.080 -0.237 1.00 0.00 C ATOM 639 NZ LYS A 45 -8.963 -1.563 0.876 1.00 0.00 N ATOM 0 H LYS A 45 -9.639 4.150 1.559 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.896 3.015 2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.024 1.680 1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.849 2.762 0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.032 1.274 1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.319 0.114 1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.680 0.815 -0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.936 0.840 -0.664 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.840 -1.472 -0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.451 -1.442 -1.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.503 -2.453 0.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.237 -0.849 1.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.544 -1.725 1.723 1.00 0.00 H new ATOM 653 N ALA A 46 -8.800 2.185 3.658 1.00 0.00 N ATOM 654 CA ALA A 46 -7.956 1.439 4.586 1.00 0.00 C ATOM 655 C ALA A 46 -7.970 2.083 5.969 1.00 0.00 C ATOM 656 O ALA A 46 -7.945 1.390 6.986 1.00 0.00 O ATOM 657 CB ALA A 46 -6.521 1.395 4.057 1.00 0.00 C ATOM 0 H ALA A 46 -8.298 2.840 3.059 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.349 0.426 4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.894 0.837 4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.507 0.906 3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.138 2.411 3.958 1.00 0.00 H new ATOM 663 N SER A 47 -8.007 3.410 5.999 1.00 0.00 N ATOM 664 CA SER A 47 -8.020 4.135 7.265 1.00 0.00 C ATOM 665 C SER A 47 -9.374 3.995 7.954 1.00 0.00 C ATOM 666 O SER A 47 -9.503 4.270 9.147 1.00 0.00 O ATOM 667 CB SER A 47 -7.722 5.614 7.020 1.00 0.00 C ATOM 668 OG SER A 47 -7.798 6.317 8.252 1.00 0.00 O ATOM 0 H SER A 47 -8.028 4.002 5.169 1.00 0.00 H new ATOM 0 HA SER A 47 -7.253 3.710 7.912 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.730 5.730 6.582 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.435 6.028 6.307 1.00 0.00 H new ATOM 0 HG SER A 47 -7.535 7.251 8.113 1.00 0.00 H new ATOM 674 N ASN A 48 -10.378 3.566 7.195 1.00 0.00 N ATOM 675 CA ASN A 48 -11.721 3.390 7.740 1.00 0.00 C ATOM 676 C ASN A 48 -12.396 4.739 7.975 1.00 0.00 C ATOM 677 O ASN A 48 -13.140 4.911 8.940 1.00 0.00 O ATOM 678 CB ASN A 48 -11.655 2.617 9.059 1.00 0.00 C ATOM 679 CG ASN A 48 -10.672 1.460 8.936 1.00 0.00 C ATOM 680 OD1 ASN A 48 -10.685 0.735 7.941 1.00 0.00 O ATOM 681 ND2 ASN A 48 -9.815 1.241 9.895 1.00 0.00 N ATOM 0 H ASN A 48 -10.289 3.335 6.206 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.309 2.827 7.015 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.347 3.283 9.865 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.644 2.239 9.318 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.154 0.468 9.821 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.806 1.843 10.718 1.00 0.00 H new ATOM 688 N GLY A 49 -12.138 5.690 7.084 1.00 0.00 N ATOM 689 CA GLY A 49 -12.734 7.017 7.202 1.00 0.00 C ATOM 690 C GLY A 49 -11.751 8.008 7.816 1.00 0.00 C ATOM 691 O GLY A 49 -11.865 9.216 7.609 1.00 0.00 O ATOM 0 H GLY A 49 -11.525 5.569 6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.043 7.369 6.218 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.632 6.962 7.817 1.00 0.00 H new ATOM 695 N ASP A 50 -10.783 7.493 8.565 1.00 0.00 N ATOM 696 CA ASP A 50 -9.787 8.352 9.191 1.00 0.00 C ATOM 697 C ASP A 50 -8.914 8.996 8.119 1.00 0.00 C ATOM 698 O ASP A 50 -8.207 8.309 7.382 1.00 0.00 O ATOM 699 CB ASP A 50 -8.922 7.540 10.156 1.00 0.00 C ATOM 700 CG ASP A 50 -9.245 7.927 11.595 1.00 0.00 C ATOM 701 OD1 ASP A 50 -10.413 8.121 11.887 1.00 0.00 O ATOM 702 OD2 ASP A 50 -8.319 8.023 12.384 1.00 0.00 O ATOM 0 H ASP A 50 -10.667 6.497 8.752 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.296 9.135 9.753 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.099 6.475 10.008 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.867 7.719 9.950 1.00 0.00 H new ATOM 707 N ILE A 51 -8.986 10.318 8.026 1.00 0.00 N ATOM 708 CA ILE A 51 -8.217 11.050 7.024 1.00 0.00 C ATOM 709 C ILE A 51 -6.725 11.030 7.343 1.00 0.00 C ATOM 710 O ILE A 51 -5.904 10.710 6.484 1.00 0.00 O ATOM 711 CB ILE A 51 -8.712 12.498 6.950 1.00 0.00 C ATOM 712 CG1 ILE A 51 -8.258 13.139 5.635 1.00 0.00 C ATOM 713 CG2 ILE A 51 -8.143 13.300 8.123 1.00 0.00 C ATOM 714 CD1 ILE A 51 -9.406 13.967 5.054 1.00 0.00 C ATOM 0 H ILE A 51 -9.565 10.904 8.628 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.362 10.561 6.061 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.801 12.501 6.998 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.388 13.773 5.807 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.955 12.368 4.926 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.498 14.329 8.066 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.471 12.854 9.062 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.054 13.289 8.077 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.087 14.425 4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.263 13.320 4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.687 14.747 5.762 1.00 0.00 H new ATOM 726 N THR A 52 -6.377 11.388 8.573 1.00 0.00 N ATOM 727 CA THR A 52 -4.978 11.419 8.977 1.00 0.00 C ATOM 728 C THR A 52 -4.275 10.111 8.637 1.00 0.00 C ATOM 729 O THR A 52 -3.318 10.098 7.868 1.00 0.00 O ATOM 730 CB THR A 52 -4.858 11.672 10.477 1.00 0.00 C ATOM 731 OG1 THR A 52 -5.348 12.971 10.777 1.00 0.00 O ATOM 732 CG2 THR A 52 -3.388 11.565 10.881 1.00 0.00 C ATOM 0 H THR A 52 -7.038 11.658 9.302 1.00 0.00 H new ATOM 0 HA THR A 52 -4.500 12.231 8.429 1.00 0.00 H new ATOM 0 HB THR A 52 -5.442 10.935 11.028 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.273 13.134 11.740 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.291 11.744 11.952 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.017 10.567 10.645 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.806 12.307 10.335 1.00 0.00 H new ATOM 740 N GLN A 53 -4.738 9.010 9.215 1.00 0.00 N ATOM 741 CA GLN A 53 -4.109 7.724 8.944 1.00 0.00 C ATOM 742 C GLN A 53 -3.964 7.525 7.443 1.00 0.00 C ATOM 743 O GLN A 53 -2.861 7.325 6.943 1.00 0.00 O ATOM 744 CB GLN A 53 -4.934 6.582 9.536 1.00 0.00 C ATOM 745 CG GLN A 53 -4.589 6.413 11.018 1.00 0.00 C ATOM 746 CD GLN A 53 -3.636 5.234 11.202 1.00 0.00 C ATOM 747 OE1 GLN A 53 -3.982 4.253 11.861 1.00 0.00 O ATOM 748 NE2 GLN A 53 -2.451 5.273 10.657 1.00 0.00 N ATOM 0 H GLN A 53 -5.528 8.979 9.860 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.123 7.719 9.409 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.998 6.791 9.422 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.731 5.656 8.997 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.130 7.325 11.399 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.499 6.249 11.595 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.167 6.087 10.112 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.809 4.490 10.776 1.00 0.00 H new ATOM 757 N ALA A 54 -5.078 7.607 6.722 1.00 0.00 N ATOM 758 CA ALA A 54 -5.042 7.447 5.277 1.00 0.00 C ATOM 759 C ALA A 54 -3.831 8.168 4.725 1.00 0.00 C ATOM 760 O ALA A 54 -2.985 7.580 4.052 1.00 0.00 O ATOM 761 CB ALA A 54 -6.318 8.016 4.660 1.00 0.00 C ATOM 0 H ALA A 54 -6.005 7.781 7.111 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.976 6.388 5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.285 7.893 3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.183 7.486 5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.398 9.076 4.903 1.00 0.00 H new ATOM 767 N VAL A 55 -3.747 9.440 5.049 1.00 0.00 N ATOM 768 CA VAL A 55 -2.626 10.260 4.621 1.00 0.00 C ATOM 769 C VAL A 55 -1.324 9.528 4.888 1.00 0.00 C ATOM 770 O VAL A 55 -0.537 9.262 3.981 1.00 0.00 O ATOM 771 CB VAL A 55 -2.638 11.581 5.386 1.00 0.00 C ATOM 772 CG1 VAL A 55 -1.593 12.523 4.800 1.00 0.00 C ATOM 773 CG2 VAL A 55 -4.027 12.214 5.283 1.00 0.00 C ATOM 0 H VAL A 55 -4.442 9.933 5.609 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.713 10.459 3.553 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.402 11.398 6.434 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.604 13.465 5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.606 12.067 4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.820 12.711 3.751 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.038 13.158 5.829 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.266 12.398 4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.767 11.538 5.711 1.00 0.00 H new ATOM 783 N SER A 56 -1.125 9.202 6.149 1.00 0.00 N ATOM 784 CA SER A 56 0.068 8.488 6.581 1.00 0.00 C ATOM 785 C SER A 56 0.328 7.283 5.692 1.00 0.00 C ATOM 786 O SER A 56 1.438 7.082 5.200 1.00 0.00 O ATOM 787 CB SER A 56 -0.115 8.022 8.023 1.00 0.00 C ATOM 788 OG SER A 56 1.141 7.615 8.551 1.00 0.00 O ATOM 0 H SER A 56 -1.778 9.421 6.901 1.00 0.00 H new ATOM 0 HA SER A 56 0.921 9.163 6.511 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.532 8.828 8.627 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.824 7.195 8.062 1.00 0.00 H new ATOM 0 HG SER A 56 1.025 7.317 9.477 1.00 0.00 H new ATOM 794 N LEU A 57 -0.703 6.482 5.497 1.00 0.00 N ATOM 795 CA LEU A 57 -0.584 5.289 4.676 1.00 0.00 C ATOM 796 C LEU A 57 -0.068 5.626 3.291 1.00 0.00 C ATOM 797 O LEU A 57 0.682 4.860 2.688 1.00 0.00 O ATOM 798 CB LEU A 57 -1.945 4.610 4.550 1.00 0.00 C ATOM 799 CG LEU A 57 -2.250 3.822 5.826 1.00 0.00 C ATOM 800 CD1 LEU A 57 -2.964 4.715 6.841 1.00 0.00 C ATOM 801 CD2 LEU A 57 -3.146 2.634 5.474 1.00 0.00 C ATOM 0 H LEU A 57 -1.630 6.634 5.894 1.00 0.00 H new ATOM 0 HA LEU A 57 0.126 4.618 5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.720 5.357 4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.950 3.942 3.689 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.316 3.470 6.264 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.175 4.142 7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.327 5.564 7.090 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.899 5.076 6.413 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.369 2.066 6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.075 2.997 5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.633 1.991 4.759 1.00 0.00 H new ATOM 813 N LEU A 58 -0.501 6.761 2.786 1.00 0.00 N ATOM 814 CA LEU A 58 -0.102 7.181 1.446 1.00 0.00 C ATOM 815 C LEU A 58 1.281 7.813 1.410 1.00 0.00 C ATOM 816 O LEU A 58 2.182 7.315 0.742 1.00 0.00 O ATOM 817 CB LEU A 58 -1.114 8.176 0.884 1.00 0.00 C ATOM 818 CG LEU A 58 -2.520 7.580 0.962 1.00 0.00 C ATOM 819 CD1 LEU A 58 -3.560 8.681 0.727 1.00 0.00 C ATOM 820 CD2 LEU A 58 -2.681 6.490 -0.103 1.00 0.00 C ATOM 0 H LEU A 58 -1.123 7.408 3.271 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.071 6.278 0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.072 9.109 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.867 8.416 -0.150 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.669 7.144 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.561 8.254 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.452 9.453 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.408 9.121 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.684 6.068 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.527 6.922 -1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.946 5.703 0.068 1.00 0.00 H new ATOM 832 N THR A 59 1.434 8.917 2.106 1.00 0.00 N ATOM 833 CA THR A 59 2.708 9.629 2.115 1.00 0.00 C ATOM 834 C THR A 59 3.764 8.874 2.907 1.00 0.00 C ATOM 835 O THR A 59 4.914 9.303 2.986 1.00 0.00 O ATOM 836 CB THR A 59 2.530 11.033 2.690 1.00 0.00 C ATOM 837 OG1 THR A 59 3.740 11.447 3.308 1.00 0.00 O ATOM 838 CG2 THR A 59 1.402 11.033 3.719 1.00 0.00 C ATOM 0 H THR A 59 0.702 9.345 2.672 1.00 0.00 H new ATOM 0 HA THR A 59 3.050 9.705 1.083 1.00 0.00 H new ATOM 0 HB THR A 59 2.278 11.723 1.885 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.628 12.348 3.676 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.280 12.037 4.125 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.474 10.720 3.241 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.646 10.342 4.526 1.00 0.00 H new ATOM 846 N ASP A 60 3.369 7.749 3.485 1.00 0.00 N ATOM 847 CA ASP A 60 4.294 6.938 4.264 1.00 0.00 C ATOM 848 C ASP A 60 5.728 7.148 3.796 1.00 0.00 C ATOM 849 O ASP A 60 6.621 7.422 4.598 1.00 0.00 O ATOM 850 CB ASP A 60 3.912 5.463 4.138 1.00 0.00 C ATOM 851 CG ASP A 60 4.552 4.660 5.264 1.00 0.00 C ATOM 852 OD1 ASP A 60 4.610 5.170 6.371 1.00 0.00 O ATOM 853 OD2 ASP A 60 4.976 3.545 5.004 1.00 0.00 O ATOM 0 H ASP A 60 2.420 7.378 3.430 1.00 0.00 H new ATOM 0 HA ASP A 60 4.230 7.243 5.309 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.828 5.355 4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.239 5.076 3.173 1.00 0.00 H new ATOM 858 N GLU A 61 5.930 7.025 2.494 1.00 0.00 N ATOM 859 CA GLU A 61 7.259 7.206 1.909 1.00 0.00 C ATOM 860 C GLU A 61 7.225 7.009 0.393 1.00 0.00 C ATOM 861 O GLU A 61 8.040 6.272 -0.162 1.00 0.00 O ATOM 862 CB GLU A 61 8.247 6.209 2.523 1.00 0.00 C ATOM 863 CG GLU A 61 9.680 6.653 2.220 1.00 0.00 C ATOM 864 CD GLU A 61 10.644 6.006 3.209 1.00 0.00 C ATOM 865 OE1 GLU A 61 10.655 4.788 3.285 1.00 0.00 O ATOM 866 OE2 GLU A 61 11.358 6.737 3.876 1.00 0.00 O ATOM 0 H GLU A 61 5.197 6.802 1.820 1.00 0.00 H new ATOM 0 HA GLU A 61 7.581 8.225 2.124 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.095 6.148 3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.071 5.212 2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.949 6.374 1.201 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.755 7.739 2.283 1.00 0.00 H new ATOM 873 N ARG A 62 6.280 7.667 -0.272 1.00 0.00 N ATOM 874 CA ARG A 62 6.153 7.555 -1.715 1.00 0.00 C ATOM 875 C ARG A 62 6.014 8.932 -2.345 1.00 0.00 C ATOM 876 O ARG A 62 6.993 9.662 -2.502 1.00 0.00 O ATOM 877 CB ARG A 62 4.925 6.721 -2.054 1.00 0.00 C ATOM 878 CG ARG A 62 3.826 7.011 -1.026 1.00 0.00 C ATOM 879 CD ARG A 62 2.441 6.736 -1.624 1.00 0.00 C ATOM 880 NE ARG A 62 1.876 5.522 -1.042 1.00 0.00 N ATOM 881 CZ ARG A 62 2.276 4.317 -1.436 1.00 0.00 C ATOM 882 NH1 ARG A 62 3.189 4.201 -2.361 1.00 0.00 N ATOM 883 NH2 ARG A 62 1.758 3.249 -0.894 1.00 0.00 N ATOM 0 H ARG A 62 5.594 8.281 0.167 1.00 0.00 H new ATOM 0 HA ARG A 62 7.049 7.074 -2.109 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.574 6.959 -3.058 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.177 5.660 -2.047 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.976 6.392 -0.141 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.888 8.050 -0.702 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.780 7.582 -1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.518 6.628 -2.706 1.00 0.00 H new ATOM 0 HE ARG A 62 1.161 5.600 -0.319 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.597 5.035 -2.783 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.495 3.276 -2.662 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.047 3.339 -0.169 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.064 2.324 -1.196 1.00 0.00 H new ATOM 897 N VAL A 63 4.785 9.278 -2.697 1.00 0.00 N ATOM 898 CA VAL A 63 4.502 10.562 -3.301 1.00 0.00 C ATOM 899 C VAL A 63 4.863 11.687 -2.347 1.00 0.00 C ATOM 900 O VAL A 63 5.788 12.461 -2.594 1.00 0.00 O ATOM 901 CB VAL A 63 3.020 10.637 -3.659 1.00 0.00 C ATOM 902 CG1 VAL A 63 2.725 9.720 -4.848 1.00 0.00 C ATOM 903 CG2 VAL A 63 2.172 10.198 -2.460 1.00 0.00 C ATOM 0 H VAL A 63 3.967 8.681 -2.572 1.00 0.00 H new ATOM 0 HA VAL A 63 5.101 10.671 -4.205 1.00 0.00 H new ATOM 0 HB VAL A 63 2.773 11.665 -3.923 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.666 9.778 -5.098 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.319 10.035 -5.706 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.980 8.693 -4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.115 10.254 -2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.426 9.173 -2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.371 10.855 -1.613 1.00 0.00 H new ATOM 913 N LYS A 64 4.132 11.753 -1.252 1.00 0.00 N ATOM 914 CA LYS A 64 4.368 12.770 -0.234 1.00 0.00 C ATOM 915 C LYS A 64 4.887 14.058 -0.863 1.00 0.00 C ATOM 916 O LYS A 64 4.702 14.304 -2.056 1.00 0.00 O ATOM 917 CB LYS A 64 5.390 12.254 0.782 1.00 0.00 C ATOM 918 CG LYS A 64 6.664 11.827 0.048 1.00 0.00 C ATOM 919 CD LYS A 64 7.714 11.364 1.057 1.00 0.00 C ATOM 920 CE LYS A 64 9.104 11.465 0.425 1.00 0.00 C ATOM 921 NZ LYS A 64 9.821 12.648 0.982 1.00 0.00 N ATOM 0 H LYS A 64 3.366 11.114 -1.040 1.00 0.00 H new ATOM 0 HA LYS A 64 3.423 12.982 0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.620 13.032 1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.976 11.411 1.335 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.439 11.022 -0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.053 12.659 -0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.666 11.978 1.956 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.514 10.337 1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.672 10.556 0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.017 11.556 -0.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.846 12.470 0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.608 13.487 0.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.510 12.813 1.961 1.00 0.00 H new ATOM 935 N GLU A 65 5.535 14.875 -0.044 1.00 0.00 N ATOM 936 CA GLU A 65 6.085 16.139 -0.505 1.00 0.00 C ATOM 937 C GLU A 65 6.518 16.983 0.694 1.00 0.00 C ATOM 938 O GLU A 65 6.023 18.091 0.904 1.00 0.00 O ATOM 939 CB GLU A 65 5.032 16.884 -1.324 1.00 0.00 C ATOM 940 CG GLU A 65 5.431 16.875 -2.802 1.00 0.00 C ATOM 941 CD GLU A 65 4.201 17.093 -3.677 1.00 0.00 C ATOM 942 OE1 GLU A 65 3.253 16.339 -3.530 1.00 0.00 O ATOM 943 OE2 GLU A 65 4.227 18.008 -4.484 1.00 0.00 O ATOM 0 H GLU A 65 5.692 14.683 0.945 1.00 0.00 H new ATOM 0 HA GLU A 65 6.956 15.950 -1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.057 16.413 -1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.939 17.910 -0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.166 17.657 -2.993 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.903 15.925 -3.054 1.00 0.00 H new ATOM 950 N PRO A 66 7.421 16.469 1.486 1.00 0.00 N ATOM 951 CA PRO A 66 7.927 17.167 2.697 1.00 0.00 C ATOM 952 C PRO A 66 9.069 18.130 2.381 1.00 0.00 C ATOM 953 O PRO A 66 9.198 18.609 1.255 1.00 0.00 O ATOM 954 CB PRO A 66 8.410 16.016 3.574 1.00 0.00 C ATOM 955 CG PRO A 66 8.851 14.951 2.621 1.00 0.00 C ATOM 956 CD PRO A 66 8.066 15.156 1.318 1.00 0.00 C ATOM 0 HA PRO A 66 7.166 17.790 3.166 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.230 16.331 4.219 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.613 15.656 4.225 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.924 15.018 2.439 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.659 13.961 3.034 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.725 15.145 0.450 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.329 14.367 1.169 1.00 0.00 H new ATOM 964 N SER A 67 9.896 18.400 3.386 1.00 0.00 N ATOM 965 CA SER A 67 11.031 19.302 3.212 1.00 0.00 C ATOM 966 C SER A 67 12.333 18.581 3.546 1.00 0.00 C ATOM 967 O SER A 67 12.687 18.429 4.715 1.00 0.00 O ATOM 968 CB SER A 67 10.871 20.522 4.119 1.00 0.00 C ATOM 969 OG SER A 67 9.493 20.855 4.220 1.00 0.00 O ATOM 0 H SER A 67 9.803 18.010 4.324 1.00 0.00 H new ATOM 0 HA SER A 67 11.063 19.628 2.172 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.279 20.311 5.107 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.432 21.365 3.716 1.00 0.00 H new ATOM 0 HG SER A 67 9.121 20.464 5.038 1.00 0.00 H new ATOM 975 N GLN A 68 13.039 18.130 2.513 1.00 0.00 N ATOM 976 CA GLN A 68 14.295 17.417 2.716 1.00 0.00 C ATOM 977 C GLN A 68 15.442 18.104 1.981 1.00 0.00 C ATOM 978 O GLN A 68 16.609 17.928 2.334 1.00 0.00 O ATOM 979 CB GLN A 68 14.158 15.979 2.211 1.00 0.00 C ATOM 980 CG GLN A 68 15.242 15.108 2.848 1.00 0.00 C ATOM 981 CD GLN A 68 14.714 14.480 4.134 1.00 0.00 C ATOM 982 OE1 GLN A 68 13.474 14.074 4.188 1.00 0.00 O flip ATOM 983 NE2 GLN A 68 15.448 14.359 5.114 1.00 0.00 N flip ATOM 0 H GLN A 68 12.766 18.244 1.537 1.00 0.00 H new ATOM 0 HA GLN A 68 14.518 17.418 3.783 1.00 0.00 H new ATOM 0 HB2 GLN A 68 13.171 15.588 2.458 1.00 0.00 H new ATOM 0 HB3 GLN A 68 14.248 15.954 1.125 1.00 0.00 H new ATOM 0 HG2 GLN A 68 15.550 14.328 2.152 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.125 15.710 3.063 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.416 14.677 5.069 1.00 0.00 H new ATOM 0 HE22 GLN A 68 15.088 13.941 5.972 1.00 0.00 H new ATOM 992 N ASP A 69 15.109 18.879 0.955 1.00 0.00 N ATOM 993 CA ASP A 69 16.130 19.573 0.180 1.00 0.00 C ATOM 994 C ASP A 69 16.603 20.827 0.901 1.00 0.00 C ATOM 995 O ASP A 69 17.708 21.313 0.669 1.00 0.00 O ATOM 996 CB ASP A 69 15.581 19.945 -1.199 1.00 0.00 C ATOM 997 CG ASP A 69 16.653 19.734 -2.262 1.00 0.00 C ATOM 998 OD1 ASP A 69 17.820 19.873 -1.933 1.00 0.00 O ATOM 999 OD2 ASP A 69 16.292 19.439 -3.389 1.00 0.00 O ATOM 0 H ASP A 69 14.151 19.041 0.643 1.00 0.00 H new ATOM 0 HA ASP A 69 16.980 18.902 0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.706 19.336 -1.427 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.255 20.985 -1.201 1.00 0.00 H new ATOM 1004 N THR A 70 15.755 21.333 1.777 1.00 0.00 N ATOM 1005 CA THR A 70 16.076 22.532 2.546 1.00 0.00 C ATOM 1006 C THR A 70 16.519 23.666 1.622 1.00 0.00 C ATOM 1007 O THR A 70 17.375 23.478 0.758 1.00 0.00 O ATOM 1008 CB THR A 70 17.193 22.227 3.549 1.00 0.00 C ATOM 1009 OG1 THR A 70 18.197 21.447 2.915 1.00 0.00 O ATOM 1010 CG2 THR A 70 16.622 21.456 4.740 1.00 0.00 C ATOM 0 H THR A 70 14.837 20.936 1.977 1.00 0.00 H new ATOM 0 HA THR A 70 15.179 22.844 3.081 1.00 0.00 H new ATOM 0 HB THR A 70 17.627 23.163 3.902 1.00 0.00 H new ATOM 0 HG1 THR A 70 18.401 21.829 2.036 1.00 0.00 H new ATOM 0 HG21 THR A 70 17.420 21.241 5.451 1.00 0.00 H new ATOM 0 HG22 THR A 70 15.854 22.056 5.227 1.00 0.00 H new ATOM 0 HG23 THR A 70 16.185 20.520 4.392 1.00 0.00 H new ATOM 1018 N VAL A 71 15.935 24.845 1.809 1.00 0.00 N ATOM 1019 CA VAL A 71 16.288 25.997 0.983 1.00 0.00 C ATOM 1020 C VAL A 71 15.864 27.294 1.649 1.00 0.00 C ATOM 1021 O VAL A 71 15.062 27.302 2.583 1.00 0.00 O ATOM 1022 CB VAL A 71 15.628 25.887 -0.396 1.00 0.00 C ATOM 1023 CG1 VAL A 71 14.252 25.234 -0.257 1.00 0.00 C ATOM 1024 CG2 VAL A 71 15.464 27.280 -1.015 1.00 0.00 C ATOM 0 H VAL A 71 15.223 25.029 2.516 1.00 0.00 H new ATOM 0 HA VAL A 71 17.371 26.004 0.864 1.00 0.00 H new ATOM 0 HB VAL A 71 16.261 25.278 -1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 71 13.785 25.157 -1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.364 24.238 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 71 13.625 25.841 0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.994 27.190 -1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.838 27.894 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.443 27.747 -1.124 1.00 0.00 H new ATOM 1034 N ALA A 72 16.406 28.389 1.143 1.00 0.00 N ATOM 1035 CA ALA A 72 16.086 29.707 1.669 1.00 0.00 C ATOM 1036 C ALA A 72 14.582 29.936 1.629 1.00 0.00 C ATOM 1037 O ALA A 72 13.846 29.467 2.497 1.00 0.00 O ATOM 1038 CB ALA A 72 16.789 30.779 0.837 1.00 0.00 C ATOM 0 H ALA A 72 17.070 28.392 0.369 1.00 0.00 H new ATOM 0 HA ALA A 72 16.428 29.767 2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 72 16.547 31.765 1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 72 17.867 30.625 0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 72 16.455 30.713 -0.199 1.00 0.00 H new ATOM 1044 N THR A 73 14.139 30.657 0.612 1.00 0.00 N ATOM 1045 CA THR A 73 12.721 30.949 0.449 1.00 0.00 C ATOM 1046 C THR A 73 11.902 29.663 0.505 1.00 0.00 C ATOM 1047 O THR A 73 12.454 28.572 0.645 1.00 0.00 O ATOM 1048 CB THR A 73 12.482 31.650 -0.891 1.00 0.00 C ATOM 1049 OG1 THR A 73 13.510 32.605 -1.111 1.00 0.00 O ATOM 1050 CG2 THR A 73 11.125 32.356 -0.872 1.00 0.00 C ATOM 0 H THR A 73 14.738 31.051 -0.113 1.00 0.00 H new ATOM 0 HA THR A 73 12.407 31.604 1.262 1.00 0.00 H new ATOM 0 HB THR A 73 12.490 30.911 -1.692 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.361 33.054 -1.969 1.00 0.00 H new ATOM 0 HG21 THR A 73 10.960 32.853 -1.828 1.00 0.00 H new ATOM 0 HG22 THR A 73 10.336 31.623 -0.703 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.111 33.095 -0.071 1.00 0.00 H new ATOM 1058 N GLU A 74 10.585 29.799 0.397 1.00 0.00 N ATOM 1059 CA GLU A 74 9.705 28.637 0.440 1.00 0.00 C ATOM 1060 C GLU A 74 9.805 27.947 1.796 1.00 0.00 C ATOM 1061 O GLU A 74 10.502 26.944 1.944 1.00 0.00 O ATOM 1062 CB GLU A 74 10.087 27.652 -0.667 1.00 0.00 C ATOM 1063 CG GLU A 74 9.095 26.488 -0.681 1.00 0.00 C ATOM 1064 CD GLU A 74 7.880 26.850 -1.527 1.00 0.00 C ATOM 1065 OE1 GLU A 74 8.016 27.703 -2.390 1.00 0.00 O ATOM 1066 OE2 GLU A 74 6.830 26.272 -1.300 1.00 0.00 O ATOM 0 H GLU A 74 10.107 30.692 0.280 1.00 0.00 H new ATOM 0 HA GLU A 74 8.679 28.971 0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.085 28.156 -1.633 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.098 27.280 -0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.575 25.595 -1.082 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.783 26.253 0.337 1.00 0.00 H new ATOM 1073 N PRO A 75 9.125 28.472 2.778 1.00 0.00 N ATOM 1074 CA PRO A 75 9.132 27.908 4.155 1.00 0.00 C ATOM 1075 C PRO A 75 8.959 26.392 4.149 1.00 0.00 C ATOM 1076 O PRO A 75 8.490 25.816 3.167 1.00 0.00 O ATOM 1077 CB PRO A 75 7.946 28.594 4.833 1.00 0.00 C ATOM 1078 CG PRO A 75 7.760 29.883 4.104 1.00 0.00 C ATOM 1079 CD PRO A 75 8.271 29.666 2.678 1.00 0.00 C ATOM 0 HA PRO A 75 10.077 28.083 4.669 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.049 27.977 4.774 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.145 28.767 5.891 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.710 30.175 4.097 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.311 30.686 4.593 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.449 29.510 1.980 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.833 30.529 2.321 1.00 0.00 H new ATOM 1087 N SER A 76 9.339 25.755 5.249 1.00 0.00 N ATOM 1088 CA SER A 76 9.223 24.308 5.357 1.00 0.00 C ATOM 1089 C SER A 76 7.764 23.901 5.537 1.00 0.00 C ATOM 1090 O SER A 76 6.944 24.690 6.009 1.00 0.00 O ATOM 1091 CB SER A 76 10.046 23.809 6.543 1.00 0.00 C ATOM 1092 OG SER A 76 11.147 24.685 6.751 1.00 0.00 O ATOM 0 H SER A 76 9.727 26.214 6.073 1.00 0.00 H new ATOM 0 HA SER A 76 9.601 23.859 4.438 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.426 23.766 7.439 1.00 0.00 H new ATOM 0 HB3 SER A 76 10.402 22.797 6.353 1.00 0.00 H new ATOM 0 HG SER A 76 11.677 24.369 7.513 1.00 0.00 H new ATOM 1098 N GLU A 77 7.446 22.669 5.158 1.00 0.00 N ATOM 1099 CA GLU A 77 6.082 22.171 5.282 1.00 0.00 C ATOM 1100 C GLU A 77 5.707 21.998 6.748 1.00 0.00 C ATOM 1101 O GLU A 77 4.560 21.693 7.074 1.00 0.00 O ATOM 1102 CB GLU A 77 5.946 20.831 4.559 1.00 0.00 C ATOM 1103 CG GLU A 77 5.784 21.074 3.058 1.00 0.00 C ATOM 1104 CD GLU A 77 4.305 21.083 2.691 1.00 0.00 C ATOM 1105 OE1 GLU A 77 3.510 21.490 3.523 1.00 0.00 O ATOM 1106 OE2 GLU A 77 3.986 20.683 1.582 1.00 0.00 O ATOM 0 H GLU A 77 8.109 22.001 4.765 1.00 0.00 H new ATOM 0 HA GLU A 77 5.408 22.898 4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.825 20.215 4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.086 20.284 4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.242 22.024 2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.302 20.296 2.497 1.00 0.00 H new ATOM 1113 N VAL A 78 6.683 22.191 7.627 1.00 0.00 N ATOM 1114 CA VAL A 78 6.445 22.049 9.057 1.00 0.00 C ATOM 1115 C VAL A 78 7.057 23.213 9.826 1.00 0.00 C ATOM 1116 O VAL A 78 7.117 24.338 9.329 1.00 0.00 O ATOM 1117 CB VAL A 78 7.047 20.735 9.556 1.00 0.00 C ATOM 1118 CG1 VAL A 78 6.466 20.397 10.932 1.00 0.00 C ATOM 1119 CG2 VAL A 78 6.712 19.614 8.570 1.00 0.00 C ATOM 0 H VAL A 78 7.639 22.444 7.377 1.00 0.00 H new ATOM 0 HA VAL A 78 5.368 22.047 9.226 1.00 0.00 H new ATOM 0 HB VAL A 78 8.129 20.838 9.635 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.895 19.460 11.288 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.705 21.196 11.634 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.384 20.294 10.855 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.141 18.677 8.925 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.630 19.511 8.491 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.126 19.855 7.591 1.00 0.00 H new ATOM 1129 N GLU A 79 7.505 22.934 11.044 1.00 0.00 N ATOM 1130 CA GLU A 79 8.105 23.958 11.883 1.00 0.00 C ATOM 1131 C GLU A 79 9.483 23.516 12.368 1.00 0.00 C ATOM 1132 O GLU A 79 10.144 22.699 11.726 1.00 0.00 O ATOM 1133 CB GLU A 79 7.199 24.227 13.083 1.00 0.00 C ATOM 1134 CG GLU A 79 6.996 22.929 13.869 1.00 0.00 C ATOM 1135 CD GLU A 79 6.884 23.234 15.359 1.00 0.00 C ATOM 1136 OE1 GLU A 79 7.672 24.031 15.841 1.00 0.00 O ATOM 1137 OE2 GLU A 79 6.014 22.665 15.997 1.00 0.00 O ATOM 0 H GLU A 79 7.463 22.008 11.470 1.00 0.00 H new ATOM 0 HA GLU A 79 8.220 24.870 11.297 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.643 24.988 13.725 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.238 24.615 12.747 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.094 22.423 13.524 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.831 22.251 13.690 1.00 0.00 H new ATOM 1144 N GLY A 80 9.909 24.059 13.504 1.00 0.00 N ATOM 1145 CA GLY A 80 11.211 23.710 14.063 1.00 0.00 C ATOM 1146 C GLY A 80 12.310 24.594 13.486 1.00 0.00 C ATOM 1147 O GLY A 80 13.236 24.107 12.839 1.00 0.00 O ATOM 0 H GLY A 80 9.378 24.736 14.051 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.185 23.817 15.147 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.433 22.664 13.851 1.00 0.00 H new ATOM 1151 N SER A 81 12.201 25.897 13.725 1.00 0.00 N ATOM 1152 CA SER A 81 13.194 26.840 13.222 1.00 0.00 C ATOM 1153 C SER A 81 13.856 27.588 14.373 1.00 0.00 C ATOM 1154 O SER A 81 13.669 27.242 15.540 1.00 0.00 O ATOM 1155 CB SER A 81 12.532 27.840 12.277 1.00 0.00 C ATOM 1156 OG SER A 81 11.588 28.617 13.002 1.00 0.00 O ATOM 0 H SER A 81 11.442 26.321 14.259 1.00 0.00 H new ATOM 0 HA SER A 81 13.957 26.279 12.682 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.285 28.488 11.828 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.037 27.314 11.461 1.00 0.00 H new ATOM 0 HG SER A 81 11.162 29.261 12.399 1.00 0.00 H new ATOM 1162 N ALA A 82 14.631 28.615 14.039 1.00 0.00 N ATOM 1163 CA ALA A 82 15.312 29.404 15.052 1.00 0.00 C ATOM 1164 C ALA A 82 14.341 29.815 16.151 1.00 0.00 C ATOM 1165 O ALA A 82 13.225 29.301 16.232 1.00 0.00 O ATOM 1166 CB ALA A 82 15.925 30.650 14.416 1.00 0.00 C ATOM 0 H ALA A 82 14.801 28.917 13.080 1.00 0.00 H new ATOM 0 HA ALA A 82 16.102 28.795 15.491 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.434 31.236 15.181 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.642 30.353 13.651 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.138 31.251 13.962 1.00 0.00 H new ATOM 1172 N ALA A 83 14.770 30.743 16.997 1.00 0.00 N ATOM 1173 CA ALA A 83 13.926 31.211 18.087 1.00 0.00 C ATOM 1174 C ALA A 83 14.040 32.724 18.241 1.00 0.00 C ATOM 1175 O ALA A 83 14.558 33.410 17.361 1.00 0.00 O ATOM 1176 CB ALA A 83 14.338 30.530 19.394 1.00 0.00 C ATOM 0 H ALA A 83 15.689 31.183 16.950 1.00 0.00 H new ATOM 0 HA ALA A 83 12.891 30.958 17.856 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.702 30.885 20.205 1.00 0.00 H new ATOM 0 HB2 ALA A 83 14.228 29.450 19.292 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.378 30.769 19.617 1.00 0.00 H new ATOM 1182 N ASN A 84 13.553 33.235 19.366 1.00 0.00 N ATOM 1183 CA ASN A 84 13.605 34.667 19.630 1.00 0.00 C ATOM 1184 C ASN A 84 13.647 34.925 21.130 1.00 0.00 C ATOM 1185 O ASN A 84 13.805 36.064 21.572 1.00 0.00 O ATOM 1186 CB ASN A 84 12.381 35.357 19.026 1.00 0.00 C ATOM 1187 CG ASN A 84 12.789 36.691 18.410 1.00 0.00 C ATOM 1188 OD1 ASN A 84 12.529 36.939 17.233 1.00 0.00 O ATOM 1189 ND2 ASN A 84 13.416 37.570 19.142 1.00 0.00 N ATOM 0 H ASN A 84 13.120 32.682 20.106 1.00 0.00 H new ATOM 0 HA ASN A 84 14.508 35.072 19.173 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.930 34.718 18.266 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.626 35.518 19.796 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.692 38.465 18.739 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.630 37.362 20.117 1.00 0.00 H new ATOM 1196 N LYS A 85 13.504 33.858 21.909 1.00 0.00 N ATOM 1197 CA LYS A 85 13.525 33.975 23.361 1.00 0.00 C ATOM 1198 C LYS A 85 14.637 34.919 23.803 1.00 0.00 C ATOM 1199 O LYS A 85 15.537 35.241 23.028 1.00 0.00 O ATOM 1200 CB LYS A 85 13.738 32.599 23.995 1.00 0.00 C ATOM 1201 CG LYS A 85 12.381 31.964 24.307 1.00 0.00 C ATOM 1202 CD LYS A 85 12.588 30.698 25.144 1.00 0.00 C ATOM 1203 CE LYS A 85 11.918 30.869 26.509 1.00 0.00 C ATOM 1204 NZ LYS A 85 10.438 30.902 26.337 1.00 0.00 N ATOM 0 H LYS A 85 13.373 32.908 21.561 1.00 0.00 H new ATOM 0 HA LYS A 85 12.567 34.379 23.689 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.304 31.959 23.318 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.325 32.695 24.908 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.753 32.671 24.848 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.861 31.719 23.381 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.168 29.835 24.627 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.653 30.505 25.272 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.200 30.049 27.169 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.260 31.790 26.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.978 30.679 27.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 10.146 31.850 26.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.156 30.200 25.623 1.00 0.00 H new ATOM 1218 N GLU A 86 14.565 35.361 25.053 1.00 0.00 N ATOM 1219 CA GLU A 86 15.569 36.271 25.591 1.00 0.00 C ATOM 1220 C GLU A 86 15.257 36.610 27.041 1.00 0.00 C ATOM 1221 O GLU A 86 14.710 37.673 27.335 1.00 0.00 O ATOM 1222 CB GLU A 86 15.602 37.558 24.770 1.00 0.00 C ATOM 1223 CG GLU A 86 16.701 38.477 25.307 1.00 0.00 C ATOM 1224 CD GLU A 86 17.167 39.430 24.211 1.00 0.00 C ATOM 1225 OE1 GLU A 86 16.326 40.113 23.650 1.00 0.00 O ATOM 1226 OE2 GLU A 86 18.358 39.463 23.951 1.00 0.00 O ATOM 0 H GLU A 86 13.827 35.106 25.709 1.00 0.00 H new ATOM 0 HA GLU A 86 16.540 35.779 25.539 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.786 37.328 23.721 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.636 38.060 24.822 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.327 39.045 26.159 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.541 37.882 25.664 1.00 0.00 H new ATOM 1233 N VAL A 87 15.605 35.706 27.944 1.00 0.00 N ATOM 1234 CA VAL A 87 15.350 35.930 29.357 1.00 0.00 C ATOM 1235 C VAL A 87 16.443 35.306 30.207 1.00 0.00 C ATOM 1236 O VAL A 87 16.810 34.147 30.014 1.00 0.00 O ATOM 1237 CB VAL A 87 14.002 35.332 29.744 1.00 0.00 C ATOM 1238 CG1 VAL A 87 13.352 36.207 30.815 1.00 0.00 C ATOM 1239 CG2 VAL A 87 13.106 35.277 28.507 1.00 0.00 C ATOM 0 H VAL A 87 16.060 34.819 27.726 1.00 0.00 H new ATOM 0 HA VAL A 87 15.338 37.005 29.535 1.00 0.00 H new ATOM 0 HB VAL A 87 14.140 34.325 30.137 1.00 0.00 H new ATOM 0 HG11 VAL A 87 12.388 35.783 31.095 1.00 0.00 H new ATOM 0 HG12 VAL A 87 13.998 36.249 31.692 1.00 0.00 H new ATOM 0 HG13 VAL A 87 13.206 37.214 30.423 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.140 34.850 28.776 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.962 36.285 28.117 1.00 0.00 H new ATOM 0 HG23 VAL A 87 13.577 34.657 27.744 1.00 0.00 H new ATOM 1249 N LEU A 88 16.958 36.081 31.151 1.00 0.00 N ATOM 1250 CA LEU A 88 18.007 35.589 32.025 1.00 0.00 C ATOM 1251 C LEU A 88 17.519 34.379 32.800 1.00 0.00 C ATOM 1252 O LEU A 88 18.300 33.509 33.186 1.00 0.00 O ATOM 1253 CB LEU A 88 18.432 36.682 33.002 1.00 0.00 C ATOM 1254 CG LEU A 88 19.603 36.178 33.844 1.00 0.00 C ATOM 1255 CD1 LEU A 88 20.688 37.253 33.901 1.00 0.00 C ATOM 1256 CD2 LEU A 88 19.111 35.869 35.261 1.00 0.00 C ATOM 0 H LEU A 88 16.669 37.043 31.328 1.00 0.00 H new ATOM 0 HA LEU A 88 18.862 35.301 31.413 1.00 0.00 H new ATOM 0 HB2 LEU A 88 18.721 37.581 32.457 1.00 0.00 H new ATOM 0 HB3 LEU A 88 17.596 36.955 33.647 1.00 0.00 H new ATOM 0 HG LEU A 88 20.014 35.273 33.396 1.00 0.00 H new ATOM 0 HD11 LEU A 88 21.524 36.895 34.502 1.00 0.00 H new ATOM 0 HD12 LEU A 88 21.035 37.474 32.891 1.00 0.00 H new ATOM 0 HD13 LEU A 88 20.280 38.158 34.351 1.00 0.00 H new ATOM 0 HD21 LEU A 88 19.944 35.509 35.865 1.00 0.00 H new ATOM 0 HD22 LEU A 88 18.702 36.774 35.710 1.00 0.00 H new ATOM 0 HD23 LEU A 88 18.336 35.103 35.218 1.00 0.00 H new ATOM 1268 N ALA A 89 16.218 34.338 33.016 1.00 0.00 N ATOM 1269 CA ALA A 89 15.606 33.242 33.739 1.00 0.00 C ATOM 1270 C ALA A 89 16.163 33.163 35.148 1.00 0.00 C ATOM 1271 O ALA A 89 15.614 33.748 36.081 1.00 0.00 O ATOM 1272 CB ALA A 89 15.865 31.936 33.000 1.00 0.00 C ATOM 0 H ALA A 89 15.564 35.054 32.700 1.00 0.00 H new ATOM 0 HA ALA A 89 14.531 33.413 33.801 1.00 0.00 H new ATOM 0 HB1 ALA A 89 15.404 31.112 33.545 1.00 0.00 H new ATOM 0 HB2 ALA A 89 15.437 31.993 31.999 1.00 0.00 H new ATOM 0 HB3 ALA A 89 16.939 31.766 32.926 1.00 0.00 H new ATOM 1278 N LYS A 90 17.262 32.444 35.292 1.00 0.00 N ATOM 1279 CA LYS A 90 17.894 32.299 36.594 1.00 0.00 C ATOM 1280 C LYS A 90 19.113 31.392 36.528 1.00 0.00 C ATOM 1281 O LYS A 90 19.589 31.043 35.447 1.00 0.00 O ATOM 1282 CB LYS A 90 16.894 31.729 37.592 1.00 0.00 C ATOM 1283 CG LYS A 90 17.058 32.449 38.928 1.00 0.00 C ATOM 1284 CD LYS A 90 16.339 33.802 38.873 1.00 0.00 C ATOM 1285 CE LYS A 90 14.824 33.585 38.819 1.00 0.00 C ATOM 1286 NZ LYS A 90 14.188 34.238 39.997 1.00 0.00 N ATOM 0 H LYS A 90 17.733 31.955 34.531 1.00 0.00 H new ATOM 0 HA LYS A 90 18.222 33.287 36.916 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.877 31.854 37.219 1.00 0.00 H new ATOM 0 HB3 LYS A 90 17.057 30.659 37.719 1.00 0.00 H new ATOM 0 HG2 LYS A 90 16.648 31.840 39.734 1.00 0.00 H new ATOM 0 HG3 LYS A 90 18.116 32.596 39.146 1.00 0.00 H new ATOM 0 HD2 LYS A 90 16.599 34.398 39.748 1.00 0.00 H new ATOM 0 HD3 LYS A 90 16.666 34.362 37.997 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.419 34.000 37.896 1.00 0.00 H new ATOM 0 HE3 LYS A 90 14.598 32.519 38.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.159 34.091 39.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 14.567 33.822 40.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 14.393 35.257 39.982 1.00 0.00 H new ATOM 1300 N VAL A 91 19.619 31.022 37.700 1.00 0.00 N ATOM 1301 CA VAL A 91 20.790 30.163 37.778 1.00 0.00 C ATOM 1302 C VAL A 91 20.376 28.699 37.950 1.00 0.00 C ATOM 1303 O VAL A 91 20.019 28.034 36.977 1.00 0.00 O ATOM 1304 CB VAL A 91 21.681 30.616 38.938 1.00 0.00 C ATOM 1305 CG1 VAL A 91 20.857 30.690 40.225 1.00 0.00 C ATOM 1306 CG2 VAL A 91 22.832 29.625 39.120 1.00 0.00 C ATOM 0 H VAL A 91 19.237 31.303 38.603 1.00 0.00 H new ATOM 0 HA VAL A 91 21.353 30.242 36.848 1.00 0.00 H new ATOM 0 HB VAL A 91 22.087 31.603 38.715 1.00 0.00 H new ATOM 0 HG11 VAL A 91 21.495 31.013 41.048 1.00 0.00 H new ATOM 0 HG12 VAL A 91 20.043 31.404 40.096 1.00 0.00 H new ATOM 0 HG13 VAL A 91 20.445 29.706 40.450 1.00 0.00 H new ATOM 0 HG21 VAL A 91 23.465 29.950 39.946 1.00 0.00 H new ATOM 0 HG22 VAL A 91 22.429 28.636 39.338 1.00 0.00 H new ATOM 0 HG23 VAL A 91 23.423 29.582 38.205 1.00 0.00 H new ATOM 1316 N ILE A 92 20.412 28.204 39.185 1.00 0.00 N ATOM 1317 CA ILE A 92 20.023 26.822 39.455 1.00 0.00 C ATOM 1318 C ILE A 92 19.275 26.735 40.779 1.00 0.00 C ATOM 1319 O ILE A 92 19.087 27.744 41.458 1.00 0.00 O ATOM 1320 CB ILE A 92 21.256 25.916 39.511 1.00 0.00 C ATOM 1321 CG1 ILE A 92 21.963 26.104 40.855 1.00 0.00 C ATOM 1322 CG2 ILE A 92 22.214 26.275 38.374 1.00 0.00 C ATOM 1323 CD1 ILE A 92 23.385 25.553 40.764 1.00 0.00 C ATOM 0 H ILE A 92 20.703 28.733 40.007 1.00 0.00 H new ATOM 0 HA ILE A 92 19.372 26.489 38.647 1.00 0.00 H new ATOM 0 HB ILE A 92 20.946 24.877 39.403 1.00 0.00 H new ATOM 0 HG12 ILE A 92 21.987 27.161 41.120 1.00 0.00 H new ATOM 0 HG13 ILE A 92 21.412 25.590 41.643 1.00 0.00 H new ATOM 0 HG21 ILE A 92 23.090 25.628 38.418 1.00 0.00 H new ATOM 0 HG22 ILE A 92 21.710 26.139 37.417 1.00 0.00 H new ATOM 0 HG23 ILE A 92 22.526 27.315 38.475 1.00 0.00 H new ATOM 0 HD11 ILE A 92 23.889 25.687 41.721 1.00 0.00 H new ATOM 0 HD12 ILE A 92 23.349 24.492 40.518 1.00 0.00 H new ATOM 0 HD13 ILE A 92 23.933 26.087 39.988 1.00 0.00 H new ATOM 1335 N ASP A 93 18.855 25.526 41.142 1.00 0.00 N ATOM 1336 CA ASP A 93 18.132 25.324 42.390 1.00 0.00 C ATOM 1337 C ASP A 93 16.698 25.817 42.258 1.00 0.00 C ATOM 1338 O ASP A 93 16.403 26.986 42.509 1.00 0.00 O ATOM 1339 CB ASP A 93 18.841 26.069 43.518 1.00 0.00 C ATOM 1340 CG ASP A 93 18.434 25.489 44.870 1.00 0.00 C ATOM 1341 OD1 ASP A 93 18.258 24.286 44.948 1.00 0.00 O ATOM 1342 OD2 ASP A 93 18.307 26.260 45.806 1.00 0.00 O ATOM 0 H ASP A 93 19.002 24.679 40.593 1.00 0.00 H new ATOM 0 HA ASP A 93 18.111 24.259 42.619 1.00 0.00 H new ATOM 0 HB2 ASP A 93 19.921 25.993 43.392 1.00 0.00 H new ATOM 0 HB3 ASP A 93 18.589 27.129 43.478 1.00 0.00 H new ATOM 1347 N LEU A 94 15.813 24.916 41.854 1.00 0.00 N ATOM 1348 CA LEU A 94 14.410 25.260 41.680 1.00 0.00 C ATOM 1349 C LEU A 94 13.567 24.594 42.750 1.00 0.00 C ATOM 1350 O LEU A 94 12.741 25.228 43.407 1.00 0.00 O ATOM 1351 CB LEU A 94 13.959 24.843 40.269 1.00 0.00 C ATOM 1352 CG LEU A 94 13.177 23.517 40.273 1.00 0.00 C ATOM 1353 CD1 LEU A 94 12.508 23.337 38.909 1.00 0.00 C ATOM 1354 CD2 LEU A 94 14.141 22.351 40.518 1.00 0.00 C ATOM 0 H LEU A 94 16.041 23.945 41.641 1.00 0.00 H new ATOM 0 HA LEU A 94 14.279 26.337 41.784 1.00 0.00 H new ATOM 0 HB2 LEU A 94 13.335 25.629 39.842 1.00 0.00 H new ATOM 0 HB3 LEU A 94 14.833 24.745 39.625 1.00 0.00 H new ATOM 0 HG LEU A 94 12.425 23.535 41.062 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.950 22.401 38.898 1.00 0.00 H new ATOM 0 HD12 LEU A 94 11.826 24.168 38.726 1.00 0.00 H new ATOM 0 HD13 LEU A 94 13.270 23.314 38.130 1.00 0.00 H new ATOM 0 HD21 LEU A 94 13.585 21.414 40.520 1.00 0.00 H new ATOM 0 HD22 LEU A 94 14.891 22.326 39.727 1.00 0.00 H new ATOM 0 HD23 LEU A 94 14.634 22.483 41.481 1.00 0.00 H new ATOM 1366 N THR A 95 13.792 23.312 42.905 1.00 0.00 N ATOM 1367 CA THR A 95 13.066 22.521 43.892 1.00 0.00 C ATOM 1368 C THR A 95 13.791 21.207 44.167 1.00 0.00 C ATOM 1369 O THR A 95 13.277 20.130 43.869 1.00 0.00 O ATOM 1370 CB THR A 95 11.651 22.230 43.386 1.00 0.00 C ATOM 1371 OG1 THR A 95 11.022 23.448 43.015 1.00 0.00 O ATOM 1372 CG2 THR A 95 10.842 21.550 44.491 1.00 0.00 C ATOM 0 H THR A 95 14.474 22.784 42.361 1.00 0.00 H new ATOM 0 HA THR A 95 13.012 23.092 44.819 1.00 0.00 H new ATOM 0 HB THR A 95 11.703 21.570 42.520 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.455 24.194 43.480 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.835 21.343 44.130 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.326 20.615 44.773 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.788 22.207 45.359 1.00 0.00 H new ATOM 1380 N HIS A 96 14.988 21.303 44.740 1.00 0.00 N ATOM 1381 CA HIS A 96 15.772 20.113 45.051 1.00 0.00 C ATOM 1382 C HIS A 96 16.932 20.458 45.979 1.00 0.00 C ATOM 1383 O HIS A 96 17.349 21.614 46.064 1.00 0.00 O ATOM 1384 CB HIS A 96 16.317 19.492 43.761 1.00 0.00 C ATOM 1385 CG HIS A 96 15.352 18.454 43.258 1.00 0.00 C ATOM 1386 ND1 HIS A 96 15.008 17.339 44.005 1.00 0.00 N ATOM 1387 CD2 HIS A 96 14.650 18.348 42.082 1.00 0.00 C ATOM 1388 CE1 HIS A 96 14.135 16.618 43.280 1.00 0.00 C ATOM 1389 NE2 HIS A 96 13.882 17.187 42.099 1.00 0.00 N ATOM 0 H HIS A 96 15.432 22.185 44.996 1.00 0.00 H new ATOM 0 HA HIS A 96 15.121 19.397 45.553 1.00 0.00 H new ATOM 0 HB2 HIS A 96 16.463 20.265 43.006 1.00 0.00 H new ATOM 0 HB3 HIS A 96 17.291 19.039 43.946 1.00 0.00 H new ATOM 0 HD2 HIS A 96 14.688 19.057 41.268 1.00 0.00 H new ATOM 0 HE1 HIS A 96 13.692 15.691 43.613 1.00 0.00 H new ATOM 0 HE2 HIS A 96 13.260 16.845 41.367 1.00 0.00 H new ATOM 1397 N ASP A 97 17.448 19.448 46.672 1.00 0.00 N ATOM 1398 CA ASP A 97 18.561 19.653 47.592 1.00 0.00 C ATOM 1399 C ASP A 97 18.893 18.354 48.322 1.00 0.00 C ATOM 1400 O ASP A 97 18.461 18.140 49.455 1.00 0.00 O ATOM 1401 CB ASP A 97 18.200 20.739 48.610 1.00 0.00 C ATOM 1402 CG ASP A 97 19.380 21.683 48.808 1.00 0.00 C ATOM 1403 OD1 ASP A 97 19.676 22.430 47.890 1.00 0.00 O ATOM 1404 OD2 ASP A 97 19.971 21.646 49.875 1.00 0.00 O ATOM 0 H ASP A 97 17.116 18.485 46.615 1.00 0.00 H new ATOM 0 HA ASP A 97 19.434 19.968 47.020 1.00 0.00 H new ATOM 0 HB2 ASP A 97 17.331 21.298 48.264 1.00 0.00 H new ATOM 0 HB3 ASP A 97 17.927 20.281 49.561 1.00 0.00 H new ATOM 1409 N ASN A 98 19.658 17.488 47.664 1.00 0.00 N ATOM 1410 CA ASN A 98 20.030 16.212 48.266 1.00 0.00 C ATOM 1411 C ASN A 98 21.535 15.987 48.192 1.00 0.00 C ATOM 1412 O ASN A 98 22.104 15.273 49.010 1.00 0.00 O ATOM 1413 CB ASN A 98 19.306 15.067 47.550 1.00 0.00 C ATOM 1414 CG ASN A 98 18.061 14.662 48.332 1.00 0.00 C ATOM 1415 OD1 ASN A 98 17.973 14.910 49.534 1.00 0.00 O ATOM 1416 ND2 ASN A 98 17.086 14.051 47.716 1.00 0.00 N ATOM 0 H ASN A 98 20.028 17.643 46.726 1.00 0.00 H new ATOM 0 HA ASN A 98 19.736 16.235 49.315 1.00 0.00 H new ATOM 0 HB2 ASN A 98 19.027 15.376 46.543 1.00 0.00 H new ATOM 0 HB3 ASN A 98 19.974 14.212 47.447 1.00 0.00 H new ATOM 0 HD21 ASN A 98 16.249 13.778 48.231 1.00 0.00 H new ATOM 0 HD22 ASN A 98 17.161 13.846 46.720 1.00 0.00 H new ATOM 1423 N LYS A 99 22.165 16.608 47.210 1.00 0.00 N ATOM 1424 CA LYS A 99 23.608 16.486 47.019 1.00 0.00 C ATOM 1425 C LYS A 99 24.178 15.262 47.732 1.00 0.00 C ATOM 1426 O LYS A 99 24.180 14.166 47.193 1.00 0.00 O ATOM 1427 CB LYS A 99 24.304 17.746 47.518 1.00 0.00 C ATOM 1428 CG LYS A 99 23.517 18.345 48.686 1.00 0.00 C ATOM 1429 CD LYS A 99 24.280 19.540 49.257 1.00 0.00 C ATOM 1430 CE LYS A 99 23.888 20.803 48.493 1.00 0.00 C ATOM 1431 NZ LYS A 99 22.460 21.131 48.770 1.00 0.00 N ATOM 0 H LYS A 99 21.701 17.206 46.527 1.00 0.00 H new ATOM 0 HA LYS A 99 23.790 16.360 45.952 1.00 0.00 H new ATOM 0 HB2 LYS A 99 25.320 17.510 47.835 1.00 0.00 H new ATOM 0 HB3 LYS A 99 24.383 18.473 46.710 1.00 0.00 H new ATOM 0 HG2 LYS A 99 22.529 18.658 48.349 1.00 0.00 H new ATOM 0 HG3 LYS A 99 23.366 17.593 49.460 1.00 0.00 H new ATOM 0 HD2 LYS A 99 24.054 19.658 50.317 1.00 0.00 H new ATOM 0 HD3 LYS A 99 25.354 19.372 49.177 1.00 0.00 H new ATOM 0 HE2 LYS A 99 24.527 21.634 48.791 1.00 0.00 H new ATOM 0 HE3 LYS A 99 24.037 20.654 47.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 22.326 22.161 48.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 21.854 20.673 48.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 22.202 20.788 49.717 1.00 0.00 H new ATOM 1445 N ASP A 100 24.680 15.456 48.934 1.00 0.00 N ATOM 1446 CA ASP A 100 25.265 14.346 49.686 1.00 0.00 C ATOM 1447 C ASP A 100 24.295 13.167 49.783 1.00 0.00 C ATOM 1448 O ASP A 100 24.699 12.008 49.688 1.00 0.00 O ATOM 1449 CB ASP A 100 25.645 14.808 51.093 1.00 0.00 C ATOM 1450 CG ASP A 100 24.855 16.058 51.466 1.00 0.00 C ATOM 1451 OD1 ASP A 100 25.135 17.102 50.901 1.00 0.00 O ATOM 1452 OD2 ASP A 100 23.982 15.952 52.312 1.00 0.00 O ATOM 0 H ASP A 100 24.699 16.356 49.413 1.00 0.00 H new ATOM 0 HA ASP A 100 26.157 14.016 49.153 1.00 0.00 H new ATOM 0 HB2 ASP A 100 25.444 14.014 51.812 1.00 0.00 H new ATOM 0 HB3 ASP A 100 26.714 15.017 51.139 1.00 0.00 H new ATOM 1457 N ASP A 101 23.020 13.473 49.995 1.00 0.00 N ATOM 1458 CA ASP A 101 21.993 12.442 50.133 1.00 0.00 C ATOM 1459 C ASP A 101 21.990 11.448 48.967 1.00 0.00 C ATOM 1460 O ASP A 101 22.142 10.245 49.177 1.00 0.00 O ATOM 1461 CB ASP A 101 20.617 13.101 50.236 1.00 0.00 C ATOM 1462 CG ASP A 101 19.806 12.445 51.348 1.00 0.00 C ATOM 1463 OD1 ASP A 101 19.108 11.487 51.058 1.00 0.00 O ATOM 1464 OD2 ASP A 101 19.893 12.910 52.472 1.00 0.00 O ATOM 0 H ASP A 101 22.670 14.428 50.075 1.00 0.00 H new ATOM 0 HA ASP A 101 22.222 11.881 51.039 1.00 0.00 H new ATOM 0 HB2 ASP A 101 20.729 14.166 50.437 1.00 0.00 H new ATOM 0 HB3 ASP A 101 20.089 13.009 49.287 1.00 0.00 H new ATOM 1469 N LEU A 102 21.786 11.940 47.744 1.00 0.00 N ATOM 1470 CA LEU A 102 21.736 11.043 46.584 1.00 0.00 C ATOM 1471 C LEU A 102 23.112 10.588 46.146 1.00 0.00 C ATOM 1472 O LEU A 102 23.266 9.479 45.686 1.00 0.00 O ATOM 1473 CB LEU A 102 21.031 11.698 45.384 1.00 0.00 C ATOM 1474 CG LEU A 102 22.037 12.434 44.478 1.00 0.00 C ATOM 1475 CD1 LEU A 102 21.294 13.074 43.308 1.00 0.00 C ATOM 1476 CD2 LEU A 102 22.749 13.532 45.267 1.00 0.00 C ATOM 0 H LEU A 102 21.655 12.929 47.531 1.00 0.00 H new ATOM 0 HA LEU A 102 21.165 10.175 46.913 1.00 0.00 H new ATOM 0 HB2 LEU A 102 20.508 10.936 44.806 1.00 0.00 H new ATOM 0 HB3 LEU A 102 20.278 12.401 45.741 1.00 0.00 H new ATOM 0 HG LEU A 102 22.770 11.716 44.110 1.00 0.00 H new ATOM 0 HD11 LEU A 102 22.005 13.595 42.667 1.00 0.00 H new ATOM 0 HD12 LEU A 102 20.786 12.300 42.733 1.00 0.00 H new ATOM 0 HD13 LEU A 102 20.560 13.785 43.688 1.00 0.00 H new ATOM 0 HD21 LEU A 102 23.458 14.046 44.617 1.00 0.00 H new ATOM 0 HD22 LEU A 102 22.015 14.246 45.640 1.00 0.00 H new ATOM 0 HD23 LEU A 102 23.283 13.088 46.107 1.00 0.00 H new ATOM 1488 N GLN A 103 24.108 11.438 46.265 1.00 0.00 N ATOM 1489 CA GLN A 103 25.444 11.055 45.832 1.00 0.00 C ATOM 1490 C GLN A 103 25.932 9.897 46.665 1.00 0.00 C ATOM 1491 O GLN A 103 26.622 8.996 46.184 1.00 0.00 O ATOM 1492 CB GLN A 103 26.393 12.245 45.965 1.00 0.00 C ATOM 1493 CG GLN A 103 26.851 12.706 44.578 1.00 0.00 C ATOM 1494 CD GLN A 103 27.282 14.167 44.632 1.00 0.00 C ATOM 1495 OE1 GLN A 103 28.406 14.498 44.255 1.00 0.00 O ATOM 1496 NE2 GLN A 103 26.450 15.068 45.080 1.00 0.00 N ATOM 0 H GLN A 103 24.028 12.380 46.648 1.00 0.00 H new ATOM 0 HA GLN A 103 25.414 10.749 44.786 1.00 0.00 H new ATOM 0 HB2 GLN A 103 25.893 13.064 46.483 1.00 0.00 H new ATOM 0 HB3 GLN A 103 27.257 11.966 46.569 1.00 0.00 H new ATOM 0 HG2 GLN A 103 27.679 12.086 44.234 1.00 0.00 H new ATOM 0 HG3 GLN A 103 26.041 12.583 43.859 1.00 0.00 H new ATOM 0 HE21 GLN A 103 25.519 14.792 45.392 1.00 0.00 H new ATOM 0 HE22 GLN A 103 26.731 16.048 45.118 1.00 0.00 H new ATOM 1505 N ALA A 104 25.551 9.932 47.918 1.00 0.00 N ATOM 1506 CA ALA A 104 25.927 8.902 48.847 1.00 0.00 C ATOM 1507 C ALA A 104 25.041 7.674 48.680 1.00 0.00 C ATOM 1508 O ALA A 104 25.533 6.575 48.428 1.00 0.00 O ATOM 1509 CB ALA A 104 25.818 9.457 50.263 1.00 0.00 C ATOM 0 H ALA A 104 24.975 10.672 48.319 1.00 0.00 H new ATOM 0 HA ALA A 104 26.954 8.594 48.653 1.00 0.00 H new ATOM 0 HB1 ALA A 104 26.101 8.685 50.979 1.00 0.00 H new ATOM 0 HB2 ALA A 104 26.484 10.313 50.370 1.00 0.00 H new ATOM 0 HB3 ALA A 104 24.791 9.770 50.453 1.00 0.00 H new ATOM 1515 N ALA A 105 23.734 7.867 48.801 1.00 0.00 N ATOM 1516 CA ALA A 105 22.800 6.763 48.634 1.00 0.00 C ATOM 1517 C ALA A 105 23.042 6.099 47.285 1.00 0.00 C ATOM 1518 O ALA A 105 23.150 4.875 47.179 1.00 0.00 O ATOM 1519 CB ALA A 105 21.366 7.289 48.697 1.00 0.00 C ATOM 0 H ALA A 105 23.301 8.766 49.012 1.00 0.00 H new ATOM 0 HA ALA A 105 22.950 6.035 49.431 1.00 0.00 H new ATOM 0 HB1 ALA A 105 20.669 6.461 48.572 1.00 0.00 H new ATOM 0 HB2 ALA A 105 21.195 7.764 49.663 1.00 0.00 H new ATOM 0 HB3 ALA A 105 21.210 8.018 47.901 1.00 0.00 H new ATOM 1525 N ILE A 106 23.140 6.934 46.261 1.00 0.00 N ATOM 1526 CA ILE A 106 23.382 6.468 44.906 1.00 0.00 C ATOM 1527 C ILE A 106 24.704 5.737 44.818 1.00 0.00 C ATOM 1528 O ILE A 106 24.786 4.677 44.225 1.00 0.00 O ATOM 1529 CB ILE A 106 23.430 7.638 43.948 1.00 0.00 C ATOM 1530 CG1 ILE A 106 22.073 8.351 43.917 1.00 0.00 C ATOM 1531 CG2 ILE A 106 23.771 7.125 42.553 1.00 0.00 C ATOM 1532 CD1 ILE A 106 21.169 7.686 42.877 1.00 0.00 C ATOM 0 H ILE A 106 23.054 7.947 46.346 1.00 0.00 H new ATOM 0 HA ILE A 106 22.567 5.794 44.640 1.00 0.00 H new ATOM 0 HB ILE A 106 24.190 8.345 44.279 1.00 0.00 H new ATOM 0 HG12 ILE A 106 21.606 8.308 44.901 1.00 0.00 H new ATOM 0 HG13 ILE A 106 22.210 9.405 43.675 1.00 0.00 H new ATOM 0 HG21 ILE A 106 23.808 7.962 41.856 1.00 0.00 H new ATOM 0 HG22 ILE A 106 24.741 6.629 42.575 1.00 0.00 H new ATOM 0 HG23 ILE A 106 23.008 6.417 42.229 1.00 0.00 H new ATOM 0 HD11 ILE A 106 20.205 8.193 42.856 1.00 0.00 H new ATOM 0 HD12 ILE A 106 21.636 7.752 41.894 1.00 0.00 H new ATOM 0 HD13 ILE A 106 21.022 6.638 43.139 1.00 0.00 H new ATOM 1544 N ALA A 107 25.744 6.326 45.393 1.00 0.00 N ATOM 1545 CA ALA A 107 27.065 5.715 45.350 1.00 0.00 C ATOM 1546 C ALA A 107 27.052 4.346 46.022 1.00 0.00 C ATOM 1547 O ALA A 107 27.597 3.379 45.492 1.00 0.00 O ATOM 1548 CB ALA A 107 28.067 6.621 46.052 1.00 0.00 C ATOM 0 H ALA A 107 25.700 7.216 45.889 1.00 0.00 H new ATOM 0 HA ALA A 107 27.353 5.584 44.307 1.00 0.00 H new ATOM 0 HB1 ALA A 107 29.056 6.164 46.020 1.00 0.00 H new ATOM 0 HB2 ALA A 107 28.098 7.588 45.549 1.00 0.00 H new ATOM 0 HB3 ALA A 107 27.766 6.761 47.090 1.00 0.00 H new ATOM 1554 N LEU A 108 26.430 4.272 47.192 1.00 0.00 N ATOM 1555 CA LEU A 108 26.355 3.016 47.929 1.00 0.00 C ATOM 1556 C LEU A 108 25.648 1.948 47.101 1.00 0.00 C ATOM 1557 O LEU A 108 26.079 0.794 47.060 1.00 0.00 O ATOM 1558 CB LEU A 108 25.597 3.228 49.240 1.00 0.00 C ATOM 1559 CG LEU A 108 25.538 1.915 50.026 1.00 0.00 C ATOM 1560 CD1 LEU A 108 26.533 1.969 51.187 1.00 0.00 C ATOM 1561 CD2 LEU A 108 24.124 1.715 50.577 1.00 0.00 C ATOM 0 H LEU A 108 25.973 5.061 47.649 1.00 0.00 H new ATOM 0 HA LEU A 108 27.370 2.681 48.143 1.00 0.00 H new ATOM 0 HB2 LEU A 108 26.090 3.996 49.835 1.00 0.00 H new ATOM 0 HB3 LEU A 108 24.588 3.584 49.033 1.00 0.00 H new ATOM 0 HG LEU A 108 25.794 1.085 49.367 1.00 0.00 H new ATOM 0 HD11 LEU A 108 26.491 1.034 51.746 1.00 0.00 H new ATOM 0 HD12 LEU A 108 27.540 2.113 50.796 1.00 0.00 H new ATOM 0 HD13 LEU A 108 26.278 2.798 51.847 1.00 0.00 H new ATOM 0 HD21 LEU A 108 24.080 0.781 51.137 1.00 0.00 H new ATOM 0 HD22 LEU A 108 23.870 2.545 51.236 1.00 0.00 H new ATOM 0 HD23 LEU A 108 23.414 1.677 49.751 1.00 0.00 H new ATOM 1573 N SER A 109 24.556 2.337 46.456 1.00 0.00 N ATOM 1574 CA SER A 109 23.785 1.402 45.641 1.00 0.00 C ATOM 1575 C SER A 109 24.372 1.275 44.244 1.00 0.00 C ATOM 1576 O SER A 109 24.096 0.314 43.525 1.00 0.00 O ATOM 1577 CB SER A 109 22.346 1.890 45.532 1.00 0.00 C ATOM 1578 OG SER A 109 21.461 0.787 45.669 1.00 0.00 O ATOM 0 H SER A 109 24.184 3.287 46.479 1.00 0.00 H new ATOM 0 HA SER A 109 23.819 0.425 46.123 1.00 0.00 H new ATOM 0 HB2 SER A 109 22.143 2.632 46.305 1.00 0.00 H new ATOM 0 HB3 SER A 109 22.188 2.379 44.571 1.00 0.00 H new ATOM 0 HG SER A 109 20.535 1.100 45.601 1.00 0.00 H new ATOM 1584 N LEU A 110 25.171 2.254 43.865 1.00 0.00 N ATOM 1585 CA LEU A 110 25.786 2.259 42.547 1.00 0.00 C ATOM 1586 C LEU A 110 27.100 1.489 42.602 1.00 0.00 C ATOM 1587 O LEU A 110 27.646 1.088 41.576 1.00 0.00 O ATOM 1588 CB LEU A 110 26.006 3.714 42.084 1.00 0.00 C ATOM 1589 CG LEU A 110 26.595 3.763 40.664 1.00 0.00 C ATOM 1590 CD1 LEU A 110 28.099 3.479 40.710 1.00 0.00 C ATOM 1591 CD2 LEU A 110 25.900 2.733 39.767 1.00 0.00 C ATOM 0 H LEU A 110 25.411 3.056 44.448 1.00 0.00 H new ATOM 0 HA LEU A 110 25.132 1.770 41.825 1.00 0.00 H new ATOM 0 HB2 LEU A 110 25.059 4.253 42.106 1.00 0.00 H new ATOM 0 HB3 LEU A 110 26.677 4.221 42.777 1.00 0.00 H new ATOM 0 HG LEU A 110 26.432 4.759 40.252 1.00 0.00 H new ATOM 0 HD11 LEU A 110 28.507 3.516 39.700 1.00 0.00 H new ATOM 0 HD12 LEU A 110 28.592 4.229 41.328 1.00 0.00 H new ATOM 0 HD13 LEU A 110 28.270 2.490 41.134 1.00 0.00 H new ATOM 0 HD21 LEU A 110 26.326 2.777 38.765 1.00 0.00 H new ATOM 0 HD22 LEU A 110 26.046 1.734 40.179 1.00 0.00 H new ATOM 0 HD23 LEU A 110 24.834 2.953 39.718 1.00 0.00 H new ATOM 1603 N LEU A 111 27.588 1.266 43.819 1.00 0.00 N ATOM 1604 CA LEU A 111 28.829 0.521 44.008 1.00 0.00 C ATOM 1605 C LEU A 111 28.631 -0.917 43.560 1.00 0.00 C ATOM 1606 O LEU A 111 29.567 -1.589 43.128 1.00 0.00 O ATOM 1607 CB LEU A 111 29.238 0.544 45.481 1.00 0.00 C ATOM 1608 CG LEU A 111 30.547 -0.228 45.662 1.00 0.00 C ATOM 1609 CD1 LEU A 111 31.709 0.596 45.106 1.00 0.00 C ATOM 1610 CD2 LEU A 111 30.780 -0.493 47.152 1.00 0.00 C ATOM 0 H LEU A 111 27.148 1.587 44.682 1.00 0.00 H new ATOM 0 HA LEU A 111 29.616 0.986 43.413 1.00 0.00 H new ATOM 0 HB2 LEU A 111 29.361 1.573 45.819 1.00 0.00 H new ATOM 0 HB3 LEU A 111 28.454 0.099 46.094 1.00 0.00 H new ATOM 0 HG LEU A 111 30.485 -1.176 45.127 1.00 0.00 H new ATOM 0 HD11 LEU A 111 32.641 0.045 45.236 1.00 0.00 H new ATOM 0 HD12 LEU A 111 31.545 0.787 44.045 1.00 0.00 H new ATOM 0 HD13 LEU A 111 31.771 1.544 45.640 1.00 0.00 H new ATOM 0 HD21 LEU A 111 31.712 -1.043 47.282 1.00 0.00 H new ATOM 0 HD22 LEU A 111 30.841 0.456 47.685 1.00 0.00 H new ATOM 0 HD23 LEU A 111 29.953 -1.081 47.551 1.00 0.00 H new ATOM 1622 N GLU A 112 27.395 -1.366 43.666 1.00 0.00 N ATOM 1623 CA GLU A 112 27.033 -2.721 43.272 1.00 0.00 C ATOM 1624 C GLU A 112 26.069 -2.685 42.095 1.00 0.00 C ATOM 1625 O GLU A 112 26.474 -2.468 40.952 1.00 0.00 O ATOM 1626 CB GLU A 112 26.381 -3.449 44.450 1.00 0.00 C ATOM 1627 CG GLU A 112 27.347 -3.472 45.637 1.00 0.00 C ATOM 1628 CD GLU A 112 28.162 -4.761 45.622 1.00 0.00 C ATOM 1629 OE1 GLU A 112 27.684 -5.747 46.159 1.00 0.00 O ATOM 1630 OE2 GLU A 112 29.253 -4.743 45.078 1.00 0.00 O ATOM 0 H GLU A 112 26.618 -0.811 44.024 1.00 0.00 H new ATOM 0 HA GLU A 112 27.936 -3.254 42.975 1.00 0.00 H new ATOM 0 HB2 GLU A 112 25.454 -2.949 44.732 1.00 0.00 H new ATOM 0 HB3 GLU A 112 26.119 -4.467 44.162 1.00 0.00 H new ATOM 0 HG2 GLU A 112 28.013 -2.610 45.591 1.00 0.00 H new ATOM 0 HG3 GLU A 112 26.790 -3.395 46.571 1.00 0.00 H new ATOM 1637 N SER A 113 24.794 -2.895 42.384 1.00 0.00 N ATOM 1638 CA SER A 113 23.770 -2.883 41.345 1.00 0.00 C ATOM 1639 C SER A 113 24.047 -1.773 40.334 1.00 0.00 C ATOM 1640 O SER A 113 24.850 -0.876 40.586 1.00 0.00 O ATOM 1641 CB SER A 113 22.392 -2.670 41.974 1.00 0.00 C ATOM 1642 OG SER A 113 22.549 -2.340 43.347 1.00 0.00 O ATOM 0 H SER A 113 24.442 -3.075 43.324 1.00 0.00 H new ATOM 0 HA SER A 113 23.790 -3.843 40.829 1.00 0.00 H new ATOM 0 HB2 SER A 113 21.862 -1.872 41.455 1.00 0.00 H new ATOM 0 HB3 SER A 113 21.789 -3.572 41.872 1.00 0.00 H new ATOM 0 HG SER A 113 23.042 -1.497 43.426 1.00 0.00 H new ATOM 1648 N PRO A 114 23.399 -1.824 39.202 1.00 0.00 N ATOM 1649 CA PRO A 114 23.571 -0.809 38.126 1.00 0.00 C ATOM 1650 C PRO A 114 22.872 0.509 38.453 1.00 0.00 C ATOM 1651 O PRO A 114 22.434 0.728 39.583 1.00 0.00 O ATOM 1652 CB PRO A 114 22.943 -1.472 36.900 1.00 0.00 C ATOM 1653 CG PRO A 114 21.936 -2.435 37.440 1.00 0.00 C ATOM 1654 CD PRO A 114 22.425 -2.862 38.827 1.00 0.00 C ATOM 0 HA PRO A 114 24.618 -0.541 37.983 1.00 0.00 H new ATOM 0 HB2 PRO A 114 22.471 -0.733 36.252 1.00 0.00 H new ATOM 0 HB3 PRO A 114 23.696 -1.985 36.302 1.00 0.00 H new ATOM 0 HG2 PRO A 114 20.953 -1.969 37.504 1.00 0.00 H new ATOM 0 HG3 PRO A 114 21.837 -3.299 36.783 1.00 0.00 H new ATOM 0 HD2 PRO A 114 21.603 -2.913 39.541 1.00 0.00 H new ATOM 0 HD3 PRO A 114 22.886 -3.849 38.800 1.00 0.00 H new ATOM 1662 N LYS A 115 22.775 1.385 37.457 1.00 0.00 N ATOM 1663 CA LYS A 115 22.133 2.678 37.645 1.00 0.00 C ATOM 1664 C LYS A 115 20.837 2.748 36.848 1.00 0.00 C ATOM 1665 O LYS A 115 20.180 1.732 36.623 1.00 0.00 O ATOM 1666 CB LYS A 115 23.074 3.790 37.181 1.00 0.00 C ATOM 1667 CG LYS A 115 23.119 4.903 38.229 1.00 0.00 C ATOM 1668 CD LYS A 115 24.286 5.843 37.920 1.00 0.00 C ATOM 1669 CE LYS A 115 23.752 7.250 37.640 1.00 0.00 C ATOM 1670 NZ LYS A 115 24.858 8.105 37.122 1.00 0.00 N ATOM 0 H LYS A 115 23.132 1.222 36.516 1.00 0.00 H new ATOM 0 HA LYS A 115 21.905 2.805 38.703 1.00 0.00 H new ATOM 0 HB2 LYS A 115 24.075 3.389 37.021 1.00 0.00 H new ATOM 0 HB3 LYS A 115 22.735 4.191 36.226 1.00 0.00 H new ATOM 0 HG2 LYS A 115 22.181 5.457 38.228 1.00 0.00 H new ATOM 0 HG3 LYS A 115 23.235 4.476 39.225 1.00 0.00 H new ATOM 0 HD2 LYS A 115 24.979 5.867 38.761 1.00 0.00 H new ATOM 0 HD3 LYS A 115 24.843 5.476 37.058 1.00 0.00 H new ATOM 0 HE2 LYS A 115 22.941 7.205 36.913 1.00 0.00 H new ATOM 0 HE3 LYS A 115 23.339 7.683 38.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 24.497 9.062 36.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 25.618 8.157 37.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 25.232 7.694 36.243 1.00 0.00 H new ATOM 1684 N ILE A 116 20.478 3.951 36.416 1.00 0.00 N ATOM 1685 CA ILE A 116 19.261 4.136 35.638 1.00 0.00 C ATOM 1686 C ILE A 116 19.595 4.288 34.156 1.00 0.00 C ATOM 1687 O ILE A 116 20.761 4.427 33.786 1.00 0.00 O ATOM 1688 CB ILE A 116 18.509 5.377 36.126 1.00 0.00 C ATOM 1689 CG1 ILE A 116 18.846 5.632 37.597 1.00 0.00 C ATOM 1690 CG2 ILE A 116 17.002 5.155 35.983 1.00 0.00 C ATOM 1691 CD1 ILE A 116 18.095 6.872 38.085 1.00 0.00 C ATOM 0 H ILE A 116 21.007 4.805 36.590 1.00 0.00 H new ATOM 0 HA ILE A 116 18.629 3.258 35.770 1.00 0.00 H new ATOM 0 HB ILE A 116 18.807 6.238 35.527 1.00 0.00 H new ATOM 0 HG12 ILE A 116 18.571 4.766 38.200 1.00 0.00 H new ATOM 0 HG13 ILE A 116 19.920 5.774 37.716 1.00 0.00 H new ATOM 0 HG21 ILE A 116 16.469 6.040 36.331 1.00 0.00 H new ATOM 0 HG22 ILE A 116 16.759 4.973 34.936 1.00 0.00 H new ATOM 0 HG23 ILE A 116 16.703 4.293 36.580 1.00 0.00 H new ATOM 0 HD11 ILE A 116 18.335 7.054 39.133 1.00 0.00 H new ATOM 0 HD12 ILE A 116 18.392 7.735 37.490 1.00 0.00 H new ATOM 0 HD13 ILE A 116 17.022 6.712 37.981 1.00 0.00 H new ATOM 1703 N GLN A 117 18.569 4.258 33.313 1.00 0.00 N ATOM 1704 CA GLN A 117 18.773 4.390 31.874 1.00 0.00 C ATOM 1705 C GLN A 117 18.333 5.768 31.392 1.00 0.00 C ATOM 1706 O GLN A 117 17.326 5.901 30.698 1.00 0.00 O ATOM 1707 CB GLN A 117 17.982 3.310 31.134 1.00 0.00 C ATOM 1708 CG GLN A 117 18.271 1.945 31.761 1.00 0.00 C ATOM 1709 CD GLN A 117 19.634 1.441 31.304 1.00 0.00 C ATOM 1710 OE1 GLN A 117 20.641 2.127 31.475 1.00 0.00 O ATOM 1711 NE2 GLN A 117 19.728 0.273 30.727 1.00 0.00 N ATOM 0 H GLN A 117 17.596 4.145 33.597 1.00 0.00 H new ATOM 0 HA GLN A 117 19.836 4.269 31.665 1.00 0.00 H new ATOM 0 HB2 GLN A 117 16.915 3.527 31.185 1.00 0.00 H new ATOM 0 HB3 GLN A 117 18.256 3.303 30.079 1.00 0.00 H new ATOM 0 HG2 GLN A 117 18.248 2.023 32.848 1.00 0.00 H new ATOM 0 HG3 GLN A 117 17.496 1.233 31.476 1.00 0.00 H new ATOM 0 HE21 GLN A 117 18.892 -0.295 30.586 1.00 0.00 H new ATOM 0 HE22 GLN A 117 20.637 -0.071 30.418 1.00 0.00 H new ATOM 1720 N ALA A 118 19.096 6.791 31.764 1.00 0.00 N ATOM 1721 CA ALA A 118 18.777 8.156 31.363 1.00 0.00 C ATOM 1722 C ALA A 118 19.175 8.393 29.911 1.00 0.00 C ATOM 1723 O ALA A 118 18.994 7.524 29.058 1.00 0.00 O ATOM 1724 CB ALA A 118 19.514 9.150 32.262 1.00 0.00 C ATOM 0 H ALA A 118 19.934 6.702 32.339 1.00 0.00 H new ATOM 0 HA ALA A 118 17.702 8.302 31.464 1.00 0.00 H new ATOM 0 HB1 ALA A 118 19.270 10.167 31.956 1.00 0.00 H new ATOM 0 HB2 ALA A 118 19.209 9.000 33.298 1.00 0.00 H new ATOM 0 HB3 ALA A 118 20.589 8.992 32.174 1.00 0.00 H new ATOM 1730 N ASP A 119 19.721 9.574 29.637 1.00 0.00 N ATOM 1731 CA ASP A 119 20.144 9.914 28.284 1.00 0.00 C ATOM 1732 C ASP A 119 21.643 10.202 28.247 1.00 0.00 C ATOM 1733 O ASP A 119 22.462 9.286 28.326 1.00 0.00 O ATOM 1734 CB ASP A 119 19.375 11.139 27.787 1.00 0.00 C ATOM 1735 CG ASP A 119 17.877 10.855 27.802 1.00 0.00 C ATOM 1736 OD1 ASP A 119 17.363 10.542 28.863 1.00 0.00 O ATOM 1737 OD2 ASP A 119 17.265 10.955 26.751 1.00 0.00 O ATOM 0 H ASP A 119 19.880 10.306 30.329 1.00 0.00 H new ATOM 0 HA ASP A 119 19.932 9.065 27.634 1.00 0.00 H new ATOM 0 HB2 ASP A 119 19.597 11.999 28.419 1.00 0.00 H new ATOM 0 HB3 ASP A 119 19.695 11.395 26.777 1.00 0.00 H new ATOM 1742 N GLY A 120 21.993 11.479 28.124 1.00 0.00 N ATOM 1743 CA GLY A 120 23.397 11.874 28.077 1.00 0.00 C ATOM 1744 C GLY A 120 23.772 12.382 26.688 1.00 0.00 C ATOM 1745 O GLY A 120 22.937 13.017 26.066 1.00 0.00 O ATOM 0 H GLY A 120 21.331 12.252 28.056 1.00 0.00 H new ATOM 0 HA2 GLY A 120 23.585 12.652 28.817 1.00 0.00 H new ATOM 0 HA3 GLY A 120 24.027 11.025 28.341 1.00 0.00 H new TER 1749 GLY A 120