USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 606 hydrogens (9 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 SER OG : rot -86:sc= 1.38! USER MOD Set 1.2: A 30 SER OG : rot 112:sc= 0.175 USER MOD Set 1.3: A 72 THR OG1 : rot 88:sc= -0.285! USER MOD Single : A 1 GLY N :NH3+ 177:sc= -0.103 (180deg=-0.115) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.177 USER MOD Single : A 7 SER OG : rot -170:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.352 K(o=-0.35,f=-1) USER MOD Single : A 13 LYS NZ :NH3+ -144:sc= -0.523 (180deg=-1.43) USER MOD Single : A 18 TYR OH : rot -8:sc= 1.2 USER MOD Single : A 19 GLN : amide:sc= -14.2! C(o=-14!,f=-17!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.605 X(o=-0.61,f=-0.52) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 93:sc= -2.89! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.384 K(o=-0.38,f=-3.4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -145:sc= -0.142 (180deg=-0.945) USER MOD Single : A 47 THR OG1 : rot 150:sc= 0.633 USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= -0.685 (180deg=-2.41!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -100:sc= 1.28 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.456 K(o=-0.46,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.604 -33.150 -27.397 1.00 0.00 N ATOM 2 CA GLY A 1 -20.748 -34.369 -27.331 1.00 0.00 C ATOM 3 C GLY A 1 -19.295 -33.989 -27.617 1.00 0.00 C ATOM 4 O GLY A 1 -18.438 -34.838 -27.766 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.599 -33.416 -27.253 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.314 -32.481 -26.655 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.497 -32.701 -28.329 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.827 -34.829 -26.346 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.091 -35.107 -28.056 1.00 0.00 H new ATOM 7 N ASP A 2 -19.008 -32.718 -27.693 1.00 0.00 N ATOM 8 CA ASP A 2 -17.608 -32.284 -27.968 1.00 0.00 C ATOM 9 C ASP A 2 -17.280 -31.019 -27.171 1.00 0.00 C ATOM 10 O ASP A 2 -16.712 -30.078 -27.689 1.00 0.00 O ATOM 11 CB ASP A 2 -17.570 -31.997 -29.470 1.00 0.00 C ATOM 12 CG ASP A 2 -16.176 -31.506 -29.861 1.00 0.00 C ATOM 13 OD1 ASP A 2 -15.270 -31.652 -29.057 1.00 0.00 O ATOM 14 OD2 ASP A 2 -16.037 -30.991 -30.959 1.00 0.00 O ATOM 0 H ASP A 2 -19.682 -31.961 -27.577 1.00 0.00 H new ATOM 0 HA ASP A 2 -16.877 -33.039 -27.679 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -17.820 -32.898 -30.030 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -18.317 -31.246 -29.726 1.00 0.00 H new ATOM 19 N THR A 3 -17.634 -30.988 -25.916 1.00 0.00 N ATOM 20 CA THR A 3 -17.342 -29.782 -25.088 1.00 0.00 C ATOM 21 C THR A 3 -15.978 -29.925 -24.408 1.00 0.00 C ATOM 22 O THR A 3 -15.587 -31.000 -23.998 1.00 0.00 O ATOM 23 CB THR A 3 -18.459 -29.736 -24.044 1.00 0.00 C ATOM 24 OG1 THR A 3 -19.119 -30.994 -24.003 1.00 0.00 O ATOM 25 CG2 THR A 3 -19.463 -28.643 -24.415 1.00 0.00 C ATOM 0 H THR A 3 -18.113 -31.745 -25.427 1.00 0.00 H new ATOM 0 HA THR A 3 -17.305 -28.871 -25.685 1.00 0.00 H new ATOM 0 HB THR A 3 -18.033 -29.517 -23.065 1.00 0.00 H new ATOM 0 HG1 THR A 3 -19.834 -30.967 -23.333 1.00 0.00 H new ATOM 0 HG21 THR A 3 -20.258 -28.611 -23.670 1.00 0.00 H new ATOM 0 HG22 THR A 3 -18.956 -27.679 -24.446 1.00 0.00 H new ATOM 0 HG23 THR A 3 -19.891 -28.859 -25.394 1.00 0.00 H new ATOM 33 N LEU A 4 -15.251 -28.850 -24.285 1.00 0.00 N ATOM 34 CA LEU A 4 -13.913 -28.924 -23.631 1.00 0.00 C ATOM 35 C LEU A 4 -14.071 -29.190 -22.131 1.00 0.00 C ATOM 36 O LEU A 4 -14.972 -28.682 -21.494 1.00 0.00 O ATOM 37 CB LEU A 4 -13.278 -27.555 -23.871 1.00 0.00 C ATOM 38 CG LEU A 4 -12.500 -27.576 -25.186 1.00 0.00 C ATOM 39 CD1 LEU A 4 -11.415 -28.652 -25.121 1.00 0.00 C ATOM 40 CD2 LEU A 4 -13.457 -27.890 -26.339 1.00 0.00 C ATOM 0 H LEU A 4 -15.525 -27.922 -24.609 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.301 -29.732 -24.033 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -14.049 -26.786 -23.905 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.612 -27.302 -23.046 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.038 -26.602 -25.349 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.860 -28.667 -26.059 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.733 -28.432 -24.300 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.877 -29.625 -24.958 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.903 -27.905 -27.278 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.918 -28.864 -26.174 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -14.232 -27.125 -26.387 1.00 0.00 H new ATOM 52 N GLY A 5 -13.202 -29.982 -21.564 1.00 0.00 N ATOM 53 CA GLY A 5 -13.305 -30.277 -20.106 1.00 0.00 C ATOM 54 C GLY A 5 -12.232 -29.494 -19.350 1.00 0.00 C ATOM 55 O GLY A 5 -11.105 -29.929 -19.226 1.00 0.00 O ATOM 0 H GLY A 5 -12.427 -30.437 -22.046 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.295 -30.006 -19.738 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.182 -31.346 -19.931 1.00 0.00 H new ATOM 59 N ALA A 6 -12.573 -28.341 -18.842 1.00 0.00 N ATOM 60 CA ALA A 6 -11.569 -27.531 -18.093 1.00 0.00 C ATOM 61 C ALA A 6 -10.295 -27.368 -18.925 1.00 0.00 C ATOM 62 O ALA A 6 -9.346 -28.114 -18.777 1.00 0.00 O ATOM 63 CB ALA A 6 -11.283 -28.332 -16.823 1.00 0.00 C ATOM 0 H ALA A 6 -13.502 -27.925 -18.913 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.931 -26.528 -17.869 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.550 -27.801 -16.215 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.205 -28.455 -16.255 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.889 -29.312 -17.092 1.00 0.00 H new ATOM 69 N SER A 7 -10.265 -26.399 -19.798 1.00 0.00 N ATOM 70 CA SER A 7 -9.051 -26.190 -20.637 1.00 0.00 C ATOM 71 C SER A 7 -8.533 -24.759 -20.468 1.00 0.00 C ATOM 72 O SER A 7 -7.584 -24.352 -21.109 1.00 0.00 O ATOM 73 CB SER A 7 -9.518 -26.425 -22.074 1.00 0.00 C ATOM 74 OG SER A 7 -8.686 -27.404 -22.683 1.00 0.00 O ATOM 0 H SER A 7 -11.028 -25.743 -19.967 1.00 0.00 H new ATOM 0 HA SER A 7 -8.236 -26.858 -20.359 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.556 -26.757 -22.082 1.00 0.00 H new ATOM 0 HB3 SER A 7 -9.477 -25.494 -22.639 1.00 0.00 H new ATOM 0 HG SER A 7 -8.877 -27.444 -23.643 1.00 0.00 H new ATOM 80 N TRP A 8 -9.149 -23.993 -19.610 1.00 0.00 N ATOM 81 CA TRP A 8 -8.692 -22.588 -19.402 1.00 0.00 C ATOM 82 C TRP A 8 -8.424 -22.332 -17.916 1.00 0.00 C ATOM 83 O TRP A 8 -8.309 -23.250 -17.128 1.00 0.00 O ATOM 84 CB TRP A 8 -9.847 -21.717 -19.896 1.00 0.00 C ATOM 85 CG TRP A 8 -10.331 -22.227 -21.216 1.00 0.00 C ATOM 86 CD1 TRP A 8 -11.454 -22.959 -21.402 1.00 0.00 C ATOM 87 CD2 TRP A 8 -9.730 -22.055 -22.533 1.00 0.00 C ATOM 88 NE1 TRP A 8 -11.580 -23.247 -22.749 1.00 0.00 N ATOM 89 CE2 TRP A 8 -10.543 -22.713 -23.486 1.00 0.00 C ATOM 90 CE3 TRP A 8 -8.572 -21.400 -22.986 1.00 0.00 C ATOM 91 CZ2 TRP A 8 -10.216 -22.721 -24.843 1.00 0.00 C ATOM 92 CZ3 TRP A 8 -8.241 -21.407 -24.352 1.00 0.00 C ATOM 93 CH2 TRP A 8 -9.062 -22.065 -25.278 1.00 0.00 C ATOM 0 H TRP A 8 -9.948 -24.278 -19.044 1.00 0.00 H new ATOM 0 HA TRP A 8 -7.764 -22.374 -19.933 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -10.660 -21.728 -19.170 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -9.520 -20.682 -19.993 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -12.139 -23.268 -20.626 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -12.346 -23.788 -23.149 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -7.933 -20.889 -22.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -10.851 -23.231 -25.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -7.348 -20.902 -24.690 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -8.803 -22.065 -26.326 1.00 0.00 H new ATOM 104 N HIS A 9 -8.325 -21.091 -17.529 1.00 0.00 N ATOM 105 CA HIS A 9 -8.066 -20.771 -16.096 1.00 0.00 C ATOM 106 C HIS A 9 -8.042 -19.254 -15.895 1.00 0.00 C ATOM 107 O HIS A 9 -7.491 -18.521 -16.692 1.00 0.00 O ATOM 108 CB HIS A 9 -6.693 -21.374 -15.795 1.00 0.00 C ATOM 109 CG HIS A 9 -6.678 -21.909 -14.390 1.00 0.00 C ATOM 110 ND1 HIS A 9 -7.680 -21.619 -13.477 1.00 0.00 N ATOM 111 CD2 HIS A 9 -5.788 -22.716 -13.725 1.00 0.00 C ATOM 112 CE1 HIS A 9 -7.372 -22.242 -12.324 1.00 0.00 C ATOM 113 NE2 HIS A 9 -6.228 -22.925 -12.422 1.00 0.00 N ATOM 0 H HIS A 9 -8.412 -20.282 -18.144 1.00 0.00 H new ATOM 0 HA HIS A 9 -8.837 -21.169 -15.436 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -6.472 -22.173 -16.502 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.917 -20.618 -15.916 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -4.884 -23.126 -14.149 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -7.976 -22.195 -11.430 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -5.774 -23.481 -11.697 1.00 0.00 H new ATOM 121 N ARG A 10 -8.640 -18.774 -14.839 1.00 0.00 N ATOM 122 CA ARG A 10 -8.653 -17.302 -14.596 1.00 0.00 C ATOM 123 C ARG A 10 -8.161 -16.990 -13.180 1.00 0.00 C ATOM 124 O ARG A 10 -8.563 -17.630 -12.228 1.00 0.00 O ATOM 125 CB ARG A 10 -10.116 -16.888 -14.757 1.00 0.00 C ATOM 126 CG ARG A 10 -10.449 -16.751 -16.243 1.00 0.00 C ATOM 127 CD ARG A 10 -10.829 -15.302 -16.551 1.00 0.00 C ATOM 128 NE ARG A 10 -12.038 -15.037 -15.723 1.00 0.00 N ATOM 129 CZ ARG A 10 -13.154 -15.664 -15.979 1.00 0.00 C ATOM 130 NH1 ARG A 10 -13.320 -16.261 -17.127 1.00 0.00 N ATOM 131 NH2 ARG A 10 -14.105 -15.692 -15.085 1.00 0.00 N ATOM 0 H ARG A 10 -9.119 -19.335 -14.135 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.997 -16.766 -15.283 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.767 -17.630 -14.295 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.296 -15.943 -14.245 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.592 -17.049 -16.847 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.271 -17.417 -16.505 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.019 -14.619 -16.297 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.039 -15.166 -17.612 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.994 -14.366 -14.956 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.577 -16.238 -17.826 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.192 -16.751 -17.326 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.976 -15.224 -14.188 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.978 -16.182 -15.284 1.00 0.00 H new ATOM 145 N PRO A 11 -7.305 -16.008 -13.092 1.00 0.00 N ATOM 146 CA PRO A 11 -6.751 -15.595 -11.780 1.00 0.00 C ATOM 147 C PRO A 11 -7.810 -14.839 -10.972 1.00 0.00 C ATOM 148 O PRO A 11 -8.272 -13.787 -11.369 1.00 0.00 O ATOM 149 CB PRO A 11 -5.593 -14.674 -12.155 1.00 0.00 C ATOM 150 CG PRO A 11 -5.939 -14.150 -13.514 1.00 0.00 C ATOM 151 CD PRO A 11 -6.779 -15.199 -14.196 1.00 0.00 C ATOM 0 HA PRO A 11 -6.436 -16.435 -11.161 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.485 -13.863 -11.435 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.647 -15.215 -12.170 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.486 -13.210 -13.436 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.036 -13.947 -14.089 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.583 -14.749 -14.779 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.185 -15.801 -14.884 1.00 0.00 H new ATOM 159 N ASP A 12 -8.203 -15.367 -9.846 1.00 0.00 N ATOM 160 CA ASP A 12 -9.236 -14.677 -9.020 1.00 0.00 C ATOM 161 C ASP A 12 -8.598 -14.050 -7.778 1.00 0.00 C ATOM 162 O ASP A 12 -9.279 -13.641 -6.859 1.00 0.00 O ATOM 163 CB ASP A 12 -10.221 -15.776 -8.622 1.00 0.00 C ATOM 164 CG ASP A 12 -9.485 -16.860 -7.833 1.00 0.00 C ATOM 165 OD1 ASP A 12 -8.728 -16.506 -6.944 1.00 0.00 O ATOM 166 OD2 ASP A 12 -9.690 -18.025 -8.130 1.00 0.00 O ATOM 0 H ASP A 12 -7.855 -16.245 -9.462 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.724 -13.868 -9.563 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.026 -15.356 -8.019 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.680 -16.207 -9.512 1.00 0.00 H new ATOM 171 N LYS A 13 -7.295 -13.969 -7.741 1.00 0.00 N ATOM 172 CA LYS A 13 -6.621 -13.365 -6.555 1.00 0.00 C ATOM 173 C LYS A 13 -7.353 -12.089 -6.130 1.00 0.00 C ATOM 174 O LYS A 13 -7.948 -11.405 -6.940 1.00 0.00 O ATOM 175 CB LYS A 13 -5.204 -13.042 -7.028 1.00 0.00 C ATOM 176 CG LYS A 13 -5.240 -11.829 -7.960 1.00 0.00 C ATOM 177 CD LYS A 13 -4.098 -11.928 -8.975 1.00 0.00 C ATOM 178 CE LYS A 13 -2.803 -12.308 -8.253 1.00 0.00 C ATOM 179 NZ LYS A 13 -2.641 -11.278 -7.190 1.00 0.00 N ATOM 0 H LYS A 13 -6.670 -14.294 -8.478 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.618 -14.032 -5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.561 -12.837 -6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.778 -13.900 -7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.198 -11.784 -8.478 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.147 -10.910 -7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.336 -12.673 -9.734 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.973 -10.976 -9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.867 -13.309 -7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.954 -12.307 -8.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.632 -11.058 -7.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.154 -10.415 -7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.024 -11.641 -6.294 1.00 0.00 H new ATOM 193 N CYS A 14 -7.320 -11.766 -4.867 1.00 0.00 N ATOM 194 CA CYS A 14 -8.021 -10.536 -4.395 1.00 0.00 C ATOM 195 C CYS A 14 -7.010 -9.456 -4.007 1.00 0.00 C ATOM 196 O CYS A 14 -7.285 -8.275 -4.097 1.00 0.00 O ATOM 197 CB CYS A 14 -8.824 -10.983 -3.174 1.00 0.00 C ATOM 198 SG CYS A 14 -10.468 -11.525 -3.699 1.00 0.00 S ATOM 0 H CYS A 14 -6.839 -12.298 -4.142 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.657 -10.105 -5.168 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.307 -11.796 -2.663 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.910 -10.162 -2.462 1.00 0.00 H new ATOM 203 N CYS A 15 -5.844 -9.845 -3.573 1.00 0.00 N ATOM 204 CA CYS A 15 -4.825 -8.830 -3.178 1.00 0.00 C ATOM 205 C CYS A 15 -3.472 -9.491 -2.918 1.00 0.00 C ATOM 206 O CYS A 15 -3.352 -10.701 -2.880 1.00 0.00 O ATOM 207 CB CYS A 15 -5.361 -8.212 -1.884 1.00 0.00 C ATOM 208 SG CYS A 15 -5.029 -6.433 -1.874 1.00 0.00 S ATOM 0 H CYS A 15 -5.552 -10.817 -3.475 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.670 -8.089 -3.962 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.433 -8.392 -1.800 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.890 -8.684 -1.022 1.00 0.00 H new ATOM 213 N LEU A 16 -2.459 -8.698 -2.718 1.00 0.00 N ATOM 214 CA LEU A 16 -1.102 -9.250 -2.435 1.00 0.00 C ATOM 215 C LEU A 16 -1.022 -9.685 -0.979 1.00 0.00 C ATOM 216 O LEU A 16 0.044 -9.734 -0.397 1.00 0.00 O ATOM 217 CB LEU A 16 -0.158 -8.073 -2.647 1.00 0.00 C ATOM 218 CG LEU A 16 0.389 -8.098 -4.075 1.00 0.00 C ATOM 219 CD1 LEU A 16 -0.104 -6.865 -4.834 1.00 0.00 C ATOM 220 CD2 LEU A 16 1.919 -8.091 -4.034 1.00 0.00 C ATOM 0 H LEU A 16 -2.512 -7.680 -2.738 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.864 -10.108 -3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.684 -7.136 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.664 -8.121 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 16 0.041 -8.999 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.286 -6.884 -5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.194 -6.867 -4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.243 -5.964 -4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.310 -8.109 -5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.265 -7.190 -3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.273 -8.969 -3.494 1.00 0.00 H new ATOM 232 N GLY A 17 -2.135 -9.948 -0.365 1.00 0.00 N ATOM 233 CA GLY A 17 -2.092 -10.313 1.068 1.00 0.00 C ATOM 234 C GLY A 17 -1.530 -9.100 1.794 1.00 0.00 C ATOM 235 O GLY A 17 -2.074 -8.020 1.704 1.00 0.00 O ATOM 0 H GLY A 17 -3.063 -9.926 -0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.087 -10.562 1.437 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.464 -11.189 1.229 1.00 0.00 H new ATOM 239 N TYR A 18 -0.427 -9.244 2.468 1.00 0.00 N ATOM 240 CA TYR A 18 0.173 -8.067 3.154 1.00 0.00 C ATOM 241 C TYR A 18 1.641 -7.929 2.755 1.00 0.00 C ATOM 242 O TYR A 18 2.434 -8.835 2.921 1.00 0.00 O ATOM 243 CB TYR A 18 0.033 -8.345 4.648 1.00 0.00 C ATOM 244 CG TYR A 18 -1.424 -8.257 5.052 1.00 0.00 C ATOM 245 CD1 TYR A 18 -2.372 -7.697 4.181 1.00 0.00 C ATOM 246 CD2 TYR A 18 -1.826 -8.739 6.304 1.00 0.00 C ATOM 247 CE1 TYR A 18 -3.715 -7.619 4.565 1.00 0.00 C ATOM 248 CE2 TYR A 18 -3.171 -8.660 6.687 1.00 0.00 C ATOM 249 CZ TYR A 18 -4.114 -8.101 5.817 1.00 0.00 C ATOM 250 OH TYR A 18 -5.440 -8.024 6.195 1.00 0.00 O ATOM 0 H TYR A 18 0.084 -10.120 2.574 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.320 -7.134 2.882 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.425 -9.335 4.881 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.622 -7.626 5.218 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.064 -7.326 3.214 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.098 -9.172 6.975 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.444 -7.187 3.895 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.480 -9.030 7.653 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.938 -7.496 5.536 1.00 0.00 H new ATOM 260 N GLN A 19 2.002 -6.799 2.217 1.00 0.00 N ATOM 261 CA GLN A 19 3.413 -6.586 1.789 1.00 0.00 C ATOM 262 C GLN A 19 4.383 -7.058 2.872 1.00 0.00 C ATOM 263 O GLN A 19 4.295 -6.666 4.019 1.00 0.00 O ATOM 264 CB GLN A 19 3.529 -5.073 1.560 1.00 0.00 C ATOM 265 CG GLN A 19 4.949 -4.591 1.852 1.00 0.00 C ATOM 266 CD GLN A 19 5.824 -4.821 0.623 1.00 0.00 C ATOM 267 OE1 GLN A 19 6.485 -3.917 0.154 1.00 0.00 O ATOM 268 NE2 GLN A 19 5.858 -6.003 0.079 1.00 0.00 N ATOM 0 H GLN A 19 1.378 -6.009 2.054 1.00 0.00 H new ATOM 0 HA GLN A 19 3.664 -7.152 0.892 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.263 -4.834 0.530 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.822 -4.548 2.202 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.939 -3.533 2.113 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.358 -5.127 2.709 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.303 -6.762 0.473 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.440 -6.170 -0.742 1.00 0.00 H new ATOM 277 N LYS A 20 5.319 -7.888 2.506 1.00 0.00 N ATOM 278 CA LYS A 20 6.316 -8.382 3.498 1.00 0.00 C ATOM 279 C LYS A 20 7.529 -7.451 3.497 1.00 0.00 C ATOM 280 O LYS A 20 8.054 -7.090 4.532 1.00 0.00 O ATOM 281 CB LYS A 20 6.707 -9.778 3.010 1.00 0.00 C ATOM 282 CG LYS A 20 6.524 -10.788 4.143 1.00 0.00 C ATOM 283 CD LYS A 20 7.772 -11.668 4.250 1.00 0.00 C ATOM 284 CE LYS A 20 7.959 -12.114 5.701 1.00 0.00 C ATOM 285 NZ LYS A 20 7.077 -13.305 5.853 1.00 0.00 N ATOM 0 H LYS A 20 5.437 -8.247 1.559 1.00 0.00 H new ATOM 0 HA LYS A 20 5.924 -8.411 4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.093 -10.060 2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.743 -9.779 2.672 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.352 -10.267 5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.646 -11.406 3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.673 -12.538 3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.649 -11.116 3.912 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.000 -12.364 5.906 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.678 -11.323 6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.150 -13.670 6.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.092 -13.035 5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.372 -14.044 5.183 1.00 0.00 H new ATOM 299 N ARG A 21 7.967 -7.051 2.335 1.00 0.00 N ATOM 300 CA ARG A 21 9.134 -6.130 2.244 1.00 0.00 C ATOM 301 C ARG A 21 8.677 -4.694 2.473 1.00 0.00 C ATOM 302 O ARG A 21 7.511 -4.383 2.354 1.00 0.00 O ATOM 303 CB ARG A 21 9.667 -6.303 0.822 1.00 0.00 C ATOM 304 CG ARG A 21 10.997 -7.058 0.863 1.00 0.00 C ATOM 305 CD ARG A 21 11.952 -6.472 -0.180 1.00 0.00 C ATOM 306 NE ARG A 21 11.157 -6.418 -1.439 1.00 0.00 N ATOM 307 CZ ARG A 21 11.273 -5.396 -2.241 1.00 0.00 C ATOM 308 NH1 ARG A 21 12.346 -4.652 -2.200 1.00 0.00 N ATOM 309 NH2 ARG A 21 10.317 -5.115 -3.084 1.00 0.00 N ATOM 0 H ARG A 21 7.564 -7.325 1.439 1.00 0.00 H new ATOM 0 HA ARG A 21 9.897 -6.349 2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.945 -6.850 0.216 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.804 -5.329 0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.438 -6.984 1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.832 -8.117 0.665 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.297 -5.480 0.113 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.838 -7.095 -0.299 1.00 0.00 H new ATOM 0 HE ARG A 21 10.522 -7.181 -1.674 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.093 -4.870 -1.541 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.437 -3.853 -2.827 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.478 -5.695 -3.116 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.408 -4.316 -3.711 1.00 0.00 H new ATOM 323 N PRO A 22 9.621 -3.868 2.796 1.00 0.00 N ATOM 324 CA PRO A 22 9.326 -2.442 3.045 1.00 0.00 C ATOM 325 C PRO A 22 8.990 -1.722 1.744 1.00 0.00 C ATOM 326 O PRO A 22 9.617 -1.922 0.722 1.00 0.00 O ATOM 327 CB PRO A 22 10.611 -1.908 3.655 1.00 0.00 C ATOM 328 CG PRO A 22 11.683 -2.843 3.183 1.00 0.00 C ATOM 329 CD PRO A 22 11.039 -4.182 2.960 1.00 0.00 C ATOM 0 HA PRO A 22 8.463 -2.294 3.694 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.807 -0.886 3.330 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.554 -1.891 4.743 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.136 -2.476 2.262 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.481 -2.918 3.922 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.443 -4.677 2.077 1.00 0.00 H new ATOM 0 HD3 PRO A 22 11.205 -4.851 3.805 1.00 0.00 H new ATOM 337 N LEU A 23 7.992 -0.894 1.782 1.00 0.00 N ATOM 338 CA LEU A 23 7.579 -0.153 0.562 1.00 0.00 C ATOM 339 C LEU A 23 7.520 1.352 0.833 1.00 0.00 C ATOM 340 O LEU A 23 6.925 1.791 1.796 1.00 0.00 O ATOM 341 CB LEU A 23 6.197 -0.698 0.237 1.00 0.00 C ATOM 342 CG LEU A 23 6.289 -1.543 -1.023 1.00 0.00 C ATOM 343 CD1 LEU A 23 4.993 -2.337 -1.207 1.00 0.00 C ATOM 344 CD2 LEU A 23 6.506 -0.623 -2.227 1.00 0.00 C ATOM 0 H LEU A 23 7.437 -0.695 2.614 1.00 0.00 H new ATOM 0 HA LEU A 23 8.281 -0.286 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.823 -1.297 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.493 0.121 0.092 1.00 0.00 H new ATOM 0 HG LEU A 23 7.123 -2.239 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.062 -2.942 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.840 -2.988 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.153 -1.648 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.573 -1.222 -3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.669 0.070 -2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.431 -0.061 -2.094 1.00 0.00 H new ATOM 356 N PRO A 24 8.149 2.091 -0.039 1.00 0.00 N ATOM 357 CA PRO A 24 8.181 3.565 0.089 1.00 0.00 C ATOM 358 C PRO A 24 6.840 4.172 -0.339 1.00 0.00 C ATOM 359 O PRO A 24 5.923 3.474 -0.724 1.00 0.00 O ATOM 360 CB PRO A 24 9.292 3.984 -0.867 1.00 0.00 C ATOM 361 CG PRO A 24 9.374 2.884 -1.879 1.00 0.00 C ATOM 362 CD PRO A 24 8.883 1.621 -1.216 1.00 0.00 C ATOM 0 HA PRO A 24 8.354 3.900 1.112 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.065 4.939 -1.341 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.239 4.107 -0.341 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.766 3.120 -2.752 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.399 2.760 -2.229 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.240 1.046 -1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.712 0.972 -0.935 1.00 0.00 H new ATOM 370 N GLN A 25 6.728 5.468 -0.273 1.00 0.00 N ATOM 371 CA GLN A 25 5.459 6.137 -0.670 1.00 0.00 C ATOM 372 C GLN A 25 5.710 7.089 -1.844 1.00 0.00 C ATOM 373 O GLN A 25 4.861 7.284 -2.689 1.00 0.00 O ATOM 374 CB GLN A 25 5.025 6.919 0.568 1.00 0.00 C ATOM 375 CG GLN A 25 3.705 7.640 0.281 1.00 0.00 C ATOM 376 CD GLN A 25 3.984 9.111 -0.031 1.00 0.00 C ATOM 377 OE1 GLN A 25 3.513 9.634 -1.021 1.00 0.00 O ATOM 378 NE2 GLN A 25 4.735 9.806 0.779 1.00 0.00 N ATOM 0 H GLN A 25 7.467 6.097 0.041 1.00 0.00 H new ATOM 0 HA GLN A 25 4.698 5.426 -0.993 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.906 6.243 1.415 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.794 7.641 0.843 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.197 7.169 -0.560 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.040 7.559 1.141 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.131 9.367 1.610 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.926 10.788 0.581 1.00 0.00 H new ATOM 387 N VAL A 26 6.871 7.681 -1.898 1.00 0.00 N ATOM 388 CA VAL A 26 7.183 8.618 -3.009 1.00 0.00 C ATOM 389 C VAL A 26 7.261 7.858 -4.336 1.00 0.00 C ATOM 390 O VAL A 26 7.383 8.444 -5.393 1.00 0.00 O ATOM 391 CB VAL A 26 8.538 9.212 -2.631 1.00 0.00 C ATOM 392 CG1 VAL A 26 9.325 9.557 -3.893 1.00 0.00 C ATOM 393 CG2 VAL A 26 8.322 10.480 -1.804 1.00 0.00 C ATOM 0 H VAL A 26 7.619 7.554 -1.216 1.00 0.00 H new ATOM 0 HA VAL A 26 6.423 9.388 -3.143 1.00 0.00 H new ATOM 0 HB VAL A 26 9.100 8.483 -2.047 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.290 9.980 -3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.481 8.654 -4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.766 10.284 -4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.288 10.906 -1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.757 11.205 -2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.767 10.234 -0.899 1.00 0.00 H new ATOM 403 N LEU A 27 7.186 6.556 -4.289 1.00 0.00 N ATOM 404 CA LEU A 27 7.250 5.760 -5.547 1.00 0.00 C ATOM 405 C LEU A 27 5.847 5.301 -5.952 1.00 0.00 C ATOM 406 O LEU A 27 5.591 5.003 -7.103 1.00 0.00 O ATOM 407 CB LEU A 27 8.134 4.558 -5.209 1.00 0.00 C ATOM 408 CG LEU A 27 9.192 4.373 -6.300 1.00 0.00 C ATOM 409 CD1 LEU A 27 8.518 3.917 -7.596 1.00 0.00 C ATOM 410 CD2 LEU A 27 9.913 5.701 -6.543 1.00 0.00 C ATOM 0 H LEU A 27 7.083 6.009 -3.434 1.00 0.00 H new ATOM 0 HA LEU A 27 7.648 6.335 -6.383 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.616 4.709 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.524 3.658 -5.124 1.00 0.00 H new ATOM 0 HG LEU A 27 9.912 3.620 -5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.272 3.786 -8.372 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.004 2.971 -7.426 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.797 4.669 -7.915 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.666 5.569 -7.320 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.192 6.454 -6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.395 6.027 -5.622 1.00 0.00 H new ATOM 422 N LEU A 28 4.937 5.239 -5.018 1.00 0.00 N ATOM 423 CA LEU A 28 3.557 4.797 -5.354 1.00 0.00 C ATOM 424 C LEU A 28 2.642 6.009 -5.533 1.00 0.00 C ATOM 425 O LEU A 28 2.982 7.116 -5.166 1.00 0.00 O ATOM 426 CB LEU A 28 3.108 3.969 -4.154 1.00 0.00 C ATOM 427 CG LEU A 28 4.174 2.923 -3.822 1.00 0.00 C ATOM 428 CD1 LEU A 28 4.053 2.520 -2.350 1.00 0.00 C ATOM 429 CD2 LEU A 28 3.969 1.692 -4.706 1.00 0.00 C ATOM 0 H LEU A 28 5.091 5.476 -4.038 1.00 0.00 H new ATOM 0 HA LEU A 28 3.521 4.229 -6.284 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.941 4.618 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.159 3.479 -4.373 1.00 0.00 H new ATOM 0 HG LEU A 28 5.164 3.341 -4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.812 1.775 -2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.197 3.397 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.064 2.100 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.727 0.945 -4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.979 1.274 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.054 1.979 -5.754 1.00 0.00 H new ATOM 441 N SER A 29 1.481 5.812 -6.099 1.00 0.00 N ATOM 442 CA SER A 29 0.554 6.957 -6.301 1.00 0.00 C ATOM 443 C SER A 29 -0.441 7.067 -5.144 1.00 0.00 C ATOM 444 O SER A 29 -0.384 7.983 -4.347 1.00 0.00 O ATOM 445 CB SER A 29 -0.171 6.641 -7.604 1.00 0.00 C ATOM 446 OG SER A 29 -1.104 5.592 -7.382 1.00 0.00 O ATOM 0 H SER A 29 1.138 4.910 -6.428 1.00 0.00 H new ATOM 0 HA SER A 29 1.083 7.909 -6.340 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.686 7.529 -7.971 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.546 6.348 -8.371 1.00 0.00 H new ATOM 0 HG SER A 29 -0.654 4.727 -7.481 1.00 0.00 H new ATOM 452 N SER A 30 -1.358 6.148 -5.049 1.00 0.00 N ATOM 453 CA SER A 30 -2.364 6.208 -3.948 1.00 0.00 C ATOM 454 C SER A 30 -2.668 4.806 -3.419 1.00 0.00 C ATOM 455 O SER A 30 -1.904 3.881 -3.605 1.00 0.00 O ATOM 456 CB SER A 30 -3.610 6.819 -4.589 1.00 0.00 C ATOM 457 OG SER A 30 -3.916 6.115 -5.785 1.00 0.00 O ATOM 0 H SER A 30 -1.457 5.357 -5.685 1.00 0.00 H new ATOM 0 HA SER A 30 -2.008 6.792 -3.099 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.451 6.767 -3.898 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.441 7.873 -4.807 1.00 0.00 H new ATOM 0 HG SER A 30 -4.748 5.612 -5.665 1.00 0.00 H new ATOM 463 N TRP A 31 -3.784 4.646 -2.762 1.00 0.00 N ATOM 464 CA TRP A 31 -4.156 3.310 -2.218 1.00 0.00 C ATOM 465 C TRP A 31 -5.665 3.248 -2.010 1.00 0.00 C ATOM 466 O TRP A 31 -6.378 4.185 -2.299 1.00 0.00 O ATOM 467 CB TRP A 31 -3.447 3.204 -0.869 1.00 0.00 C ATOM 468 CG TRP A 31 -3.989 4.244 0.053 1.00 0.00 C ATOM 469 CD1 TRP A 31 -3.738 5.564 -0.053 1.00 0.00 C ATOM 470 CD2 TRP A 31 -4.863 4.082 1.207 1.00 0.00 C ATOM 471 NE1 TRP A 31 -4.396 6.229 0.966 1.00 0.00 N ATOM 472 CE2 TRP A 31 -5.105 5.358 1.769 1.00 0.00 C ATOM 473 CE3 TRP A 31 -5.463 2.965 1.816 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -5.912 5.519 2.895 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -6.277 3.126 2.950 1.00 0.00 C ATOM 476 CH2 TRP A 31 -6.501 4.400 3.488 1.00 0.00 C ATOM 0 H TRP A 31 -4.458 5.389 -2.578 1.00 0.00 H new ATOM 0 HA TRP A 31 -3.872 2.501 -2.891 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.595 2.211 -0.444 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.373 3.339 -0.998 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.123 6.027 -0.810 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.362 7.239 1.107 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.297 1.978 1.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.081 6.503 3.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.733 2.262 3.410 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.128 4.517 4.360 1.00 0.00 H new ATOM 487 N TYR A 32 -6.157 2.160 -1.498 1.00 0.00 N ATOM 488 CA TYR A 32 -7.625 2.060 -1.257 1.00 0.00 C ATOM 489 C TYR A 32 -7.937 0.816 -0.421 1.00 0.00 C ATOM 490 O TYR A 32 -7.364 -0.235 -0.622 1.00 0.00 O ATOM 491 CB TYR A 32 -8.258 2.010 -2.654 1.00 0.00 C ATOM 492 CG TYR A 32 -8.425 0.585 -3.122 1.00 0.00 C ATOM 493 CD1 TYR A 32 -9.413 -0.225 -2.556 1.00 0.00 C ATOM 494 CD2 TYR A 32 -7.600 0.082 -4.133 1.00 0.00 C ATOM 495 CE1 TYR A 32 -9.577 -1.542 -2.998 1.00 0.00 C ATOM 496 CE2 TYR A 32 -7.762 -1.236 -4.576 1.00 0.00 C ATOM 497 CZ TYR A 32 -8.751 -2.049 -4.008 1.00 0.00 C ATOM 498 OH TYR A 32 -8.912 -3.348 -4.445 1.00 0.00 O ATOM 0 H TYR A 32 -5.613 1.338 -1.236 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.023 2.901 -0.689 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.228 2.506 -2.635 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.633 2.557 -3.360 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.050 0.166 -1.777 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.839 0.710 -4.572 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.341 -2.168 -2.560 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.124 -1.626 -5.356 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.259 -3.539 -5.150 1.00 0.00 H new ATOM 508 N PRO A 33 -8.828 0.999 0.516 1.00 0.00 N ATOM 509 CA PRO A 33 -9.222 -0.098 1.438 1.00 0.00 C ATOM 510 C PRO A 33 -9.969 -1.209 0.697 1.00 0.00 C ATOM 511 O PRO A 33 -10.557 -0.992 -0.342 1.00 0.00 O ATOM 512 CB PRO A 33 -10.126 0.599 2.449 1.00 0.00 C ATOM 513 CG PRO A 33 -10.649 1.789 1.726 1.00 0.00 C ATOM 514 CD PRO A 33 -9.556 2.238 0.799 1.00 0.00 C ATOM 0 HA PRO A 33 -8.367 -0.590 1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.935 -0.055 2.774 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.572 0.889 3.342 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.552 1.539 1.169 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.915 2.582 2.425 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.958 2.686 -0.110 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.914 2.985 1.266 1.00 0.00 H new ATOM 522 N THR A 34 -9.946 -2.404 1.224 1.00 0.00 N ATOM 523 CA THR A 34 -10.648 -3.532 0.547 1.00 0.00 C ATOM 524 C THR A 34 -11.884 -3.945 1.351 1.00 0.00 C ATOM 525 O THR A 34 -12.299 -3.262 2.266 1.00 0.00 O ATOM 526 CB THR A 34 -9.632 -4.681 0.507 1.00 0.00 C ATOM 527 OG1 THR A 34 -9.817 -5.507 1.649 1.00 0.00 O ATOM 528 CG2 THR A 34 -8.203 -4.129 0.505 1.00 0.00 C ATOM 0 H THR A 34 -9.472 -2.647 2.094 1.00 0.00 H new ATOM 0 HA THR A 34 -10.989 -3.257 -0.451 1.00 0.00 H new ATOM 0 HB THR A 34 -9.786 -5.261 -0.403 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.427 -6.241 1.427 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.494 -4.956 0.476 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.058 -3.497 -0.371 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.039 -3.541 1.408 1.00 0.00 H new ATOM 536 N SER A 35 -12.475 -5.060 1.016 1.00 0.00 N ATOM 537 CA SER A 35 -13.684 -5.517 1.759 1.00 0.00 C ATOM 538 C SER A 35 -13.540 -6.990 2.151 1.00 0.00 C ATOM 539 O SER A 35 -12.731 -7.712 1.602 1.00 0.00 O ATOM 540 CB SER A 35 -14.842 -5.336 0.780 1.00 0.00 C ATOM 541 OG SER A 35 -16.044 -5.119 1.509 1.00 0.00 O ATOM 0 H SER A 35 -12.173 -5.674 0.260 1.00 0.00 H new ATOM 0 HA SER A 35 -13.837 -4.956 2.681 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.646 -4.491 0.119 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.941 -6.219 0.148 1.00 0.00 H new ATOM 0 HG SER A 35 -16.789 -5.001 0.884 1.00 0.00 H new ATOM 547 N GLN A 36 -14.320 -7.442 3.094 1.00 0.00 N ATOM 548 CA GLN A 36 -14.230 -8.868 3.518 1.00 0.00 C ATOM 549 C GLN A 36 -14.717 -9.784 2.393 1.00 0.00 C ATOM 550 O GLN A 36 -14.474 -10.974 2.398 1.00 0.00 O ATOM 551 CB GLN A 36 -15.150 -8.978 4.735 1.00 0.00 C ATOM 552 CG GLN A 36 -14.472 -8.332 5.945 1.00 0.00 C ATOM 553 CD GLN A 36 -15.446 -7.362 6.617 1.00 0.00 C ATOM 554 OE1 GLN A 36 -16.612 -7.321 6.279 1.00 0.00 O ATOM 555 NE2 GLN A 36 -15.012 -6.573 7.562 1.00 0.00 N ATOM 0 H GLN A 36 -15.016 -6.885 3.590 1.00 0.00 H new ATOM 0 HA GLN A 36 -13.208 -9.167 3.752 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -16.101 -8.486 4.531 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -15.371 -10.025 4.944 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -14.160 -9.099 6.653 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.572 -7.802 5.632 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.033 -6.608 7.846 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.652 -5.922 8.017 1.00 0.00 H new ATOM 564 N LEU A 37 -15.405 -9.238 1.427 1.00 0.00 N ATOM 565 CA LEU A 37 -15.909 -10.078 0.302 1.00 0.00 C ATOM 566 C LEU A 37 -14.825 -11.059 -0.152 1.00 0.00 C ATOM 567 O LEU A 37 -15.112 -12.128 -0.651 1.00 0.00 O ATOM 568 CB LEU A 37 -16.236 -9.087 -0.815 1.00 0.00 C ATOM 569 CG LEU A 37 -17.708 -9.231 -1.208 1.00 0.00 C ATOM 570 CD1 LEU A 37 -18.504 -8.050 -0.648 1.00 0.00 C ATOM 571 CD2 LEU A 37 -17.829 -9.249 -2.733 1.00 0.00 C ATOM 0 H LEU A 37 -15.640 -8.247 1.368 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.777 -10.673 0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -16.035 -8.069 -0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.598 -9.272 -1.679 1.00 0.00 H new ATOM 0 HG LEU A 37 -18.103 -10.162 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -19.552 -8.152 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -18.418 -8.036 0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.109 -7.119 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -18.877 -9.352 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -17.434 -8.318 -3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.262 -10.090 -3.133 1.00 0.00 H new ATOM 583 N CYS A 38 -13.583 -10.702 0.020 1.00 0.00 N ATOM 584 CA CYS A 38 -12.481 -11.614 -0.402 1.00 0.00 C ATOM 585 C CYS A 38 -11.964 -12.409 0.801 1.00 0.00 C ATOM 586 O CYS A 38 -12.605 -12.480 1.831 1.00 0.00 O ATOM 587 CB CYS A 38 -11.391 -10.691 -0.944 1.00 0.00 C ATOM 588 SG CYS A 38 -11.731 -10.320 -2.683 1.00 0.00 S ATOM 0 H CYS A 38 -13.282 -9.820 0.434 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.807 -12.341 -1.146 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -11.357 -9.769 -0.363 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -10.415 -11.165 -0.846 1.00 0.00 H new ATOM 593 N SER A 39 -10.811 -13.008 0.679 1.00 0.00 N ATOM 594 CA SER A 39 -10.258 -13.797 1.818 1.00 0.00 C ATOM 595 C SER A 39 -10.087 -12.902 3.045 1.00 0.00 C ATOM 596 O SER A 39 -10.730 -13.090 4.060 1.00 0.00 O ATOM 597 CB SER A 39 -8.900 -14.301 1.329 1.00 0.00 C ATOM 598 OG SER A 39 -8.779 -15.686 1.627 1.00 0.00 O ATOM 0 H SER A 39 -10.228 -12.986 -0.158 1.00 0.00 H new ATOM 0 HA SER A 39 -10.915 -14.616 2.111 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.804 -14.138 0.256 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.097 -13.742 1.810 1.00 0.00 H new ATOM 0 HG SER A 39 -7.910 -16.013 1.313 1.00 0.00 H new ATOM 604 N LYS A 40 -9.226 -11.930 2.959 1.00 0.00 N ATOM 605 CA LYS A 40 -9.010 -11.018 4.118 1.00 0.00 C ATOM 606 C LYS A 40 -8.892 -9.570 3.634 1.00 0.00 C ATOM 607 O LYS A 40 -8.174 -9.284 2.695 1.00 0.00 O ATOM 608 CB LYS A 40 -7.697 -11.483 4.750 1.00 0.00 C ATOM 609 CG LYS A 40 -7.898 -11.684 6.253 1.00 0.00 C ATOM 610 CD LYS A 40 -7.632 -13.146 6.614 1.00 0.00 C ATOM 611 CE LYS A 40 -8.939 -13.937 6.546 1.00 0.00 C ATOM 612 NZ LYS A 40 -9.734 -13.469 7.715 1.00 0.00 N ATOM 0 H LYS A 40 -8.660 -11.726 2.135 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.836 -11.049 4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.369 -12.414 4.288 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.914 -10.746 4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.225 -11.033 6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.914 -11.408 6.535 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.900 -13.573 5.928 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.207 -13.212 7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.465 -13.750 5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.754 -15.010 6.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.287 -14.262 8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.092 -13.107 8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.379 -12.711 7.415 1.00 0.00 H new ATOM 626 N PRO A 41 -9.609 -8.703 4.295 1.00 0.00 N ATOM 627 CA PRO A 41 -9.597 -7.264 3.934 1.00 0.00 C ATOM 628 C PRO A 41 -8.255 -6.623 4.302 1.00 0.00 C ATOM 629 O PRO A 41 -7.370 -7.268 4.828 1.00 0.00 O ATOM 630 CB PRO A 41 -10.726 -6.676 4.771 1.00 0.00 C ATOM 631 CG PRO A 41 -10.865 -7.608 5.925 1.00 0.00 C ATOM 632 CD PRO A 41 -10.490 -8.978 5.430 1.00 0.00 C ATOM 0 HA PRO A 41 -9.728 -7.093 2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.488 -5.666 5.104 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.652 -6.613 4.199 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.217 -7.304 6.747 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.886 -7.601 6.305 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.982 -9.558 6.201 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.368 -9.549 5.127 1.00 0.00 H new ATOM 640 N GLY A 42 -8.098 -5.355 4.028 1.00 0.00 N ATOM 641 CA GLY A 42 -6.816 -4.672 4.362 1.00 0.00 C ATOM 642 C GLY A 42 -6.650 -3.430 3.485 1.00 0.00 C ATOM 643 O GLY A 42 -7.614 -2.853 3.022 1.00 0.00 O ATOM 0 H GLY A 42 -8.803 -4.764 3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.807 -4.390 5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.979 -5.353 4.207 1.00 0.00 H new ATOM 647 N VAL A 43 -5.435 -3.015 3.250 1.00 0.00 N ATOM 648 CA VAL A 43 -5.213 -1.814 2.397 1.00 0.00 C ATOM 649 C VAL A 43 -4.343 -2.171 1.195 1.00 0.00 C ATOM 650 O VAL A 43 -3.320 -2.815 1.320 1.00 0.00 O ATOM 651 CB VAL A 43 -4.501 -0.797 3.295 1.00 0.00 C ATOM 652 CG1 VAL A 43 -3.566 0.075 2.452 1.00 0.00 C ATOM 653 CG2 VAL A 43 -5.545 0.103 3.952 1.00 0.00 C ATOM 0 H VAL A 43 -4.589 -3.455 3.611 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.149 -1.416 2.005 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.924 -1.328 4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.062 0.796 3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.823 -0.555 1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.146 0.606 1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.047 0.830 4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.111 0.626 3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.224 -0.504 4.551 1.00 0.00 H new ATOM 663 N ILE A 44 -4.735 -1.736 0.035 1.00 0.00 N ATOM 664 CA ILE A 44 -3.925 -2.024 -1.177 1.00 0.00 C ATOM 665 C ILE A 44 -3.356 -0.714 -1.713 1.00 0.00 C ATOM 666 O ILE A 44 -4.024 0.301 -1.733 1.00 0.00 O ATOM 667 CB ILE A 44 -4.888 -2.676 -2.181 1.00 0.00 C ATOM 668 CG1 ILE A 44 -4.397 -2.422 -3.611 1.00 0.00 C ATOM 669 CG2 ILE A 44 -6.296 -2.101 -2.016 1.00 0.00 C ATOM 670 CD1 ILE A 44 -4.762 -0.998 -4.042 1.00 0.00 C ATOM 0 H ILE A 44 -5.583 -1.192 -0.128 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.083 -2.686 -0.978 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.918 -3.749 -1.991 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.317 -2.562 -3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.846 -3.144 -4.293 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.968 -2.572 -2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.652 -2.295 -1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.273 -1.026 -2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.410 -0.824 -5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.844 -0.873 -4.006 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.292 -0.282 -3.368 1.00 0.00 H new ATOM 682 N PHE A 45 -2.124 -0.717 -2.131 1.00 0.00 N ATOM 683 CA PHE A 45 -1.519 0.537 -2.642 1.00 0.00 C ATOM 684 C PHE A 45 -1.325 0.456 -4.157 1.00 0.00 C ATOM 685 O PHE A 45 -0.913 -0.555 -4.687 1.00 0.00 O ATOM 686 CB PHE A 45 -0.155 0.616 -1.954 1.00 0.00 C ATOM 687 CG PHE A 45 -0.320 0.955 -0.492 1.00 0.00 C ATOM 688 CD1 PHE A 45 -0.539 2.282 -0.102 1.00 0.00 C ATOM 689 CD2 PHE A 45 -0.242 -0.055 0.475 1.00 0.00 C ATOM 690 CE1 PHE A 45 -0.680 2.597 1.255 1.00 0.00 C ATOM 691 CE2 PHE A 45 -0.386 0.261 1.830 1.00 0.00 C ATOM 692 CZ PHE A 45 -0.604 1.586 2.221 1.00 0.00 C ATOM 0 H PHE A 45 -1.512 -1.533 -2.140 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.146 1.406 -2.441 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.366 -0.336 -2.056 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.462 1.371 -2.441 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.599 3.062 -0.847 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.071 -1.078 0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.847 3.620 1.557 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.329 -0.519 2.575 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.714 1.829 3.267 1.00 0.00 H new ATOM 702 N LEU A 46 -1.603 1.518 -4.856 1.00 0.00 N ATOM 703 CA LEU A 46 -1.418 1.507 -6.331 1.00 0.00 C ATOM 704 C LEU A 46 -0.226 2.395 -6.694 1.00 0.00 C ATOM 705 O LEU A 46 -0.155 3.544 -6.303 1.00 0.00 O ATOM 706 CB LEU A 46 -2.715 2.087 -6.901 1.00 0.00 C ATOM 707 CG LEU A 46 -3.513 0.982 -7.595 1.00 0.00 C ATOM 708 CD1 LEU A 46 -2.583 0.173 -8.499 1.00 0.00 C ATOM 709 CD2 LEU A 46 -4.129 0.059 -6.543 1.00 0.00 C ATOM 0 H LEU A 46 -1.951 2.395 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.219 0.510 -6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.309 2.530 -6.101 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.488 2.884 -7.609 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.306 1.429 -8.195 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.151 -0.615 -8.994 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.143 0.830 -9.250 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.790 -0.274 -7.899 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.698 -0.728 -7.038 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.337 -0.388 -5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.792 0.635 -5.898 1.00 0.00 H new ATOM 721 N THR A 47 0.715 1.870 -7.428 1.00 0.00 N ATOM 722 CA THR A 47 1.906 2.686 -7.800 1.00 0.00 C ATOM 723 C THR A 47 1.488 3.863 -8.671 1.00 0.00 C ATOM 724 O THR A 47 0.378 4.345 -8.589 1.00 0.00 O ATOM 725 CB THR A 47 2.815 1.739 -8.591 1.00 0.00 C ATOM 726 OG1 THR A 47 2.172 1.370 -9.806 1.00 0.00 O ATOM 727 CG2 THR A 47 3.106 0.485 -7.763 1.00 0.00 C ATOM 0 H THR A 47 0.712 0.915 -7.786 1.00 0.00 H new ATOM 0 HA THR A 47 2.408 3.096 -6.924 1.00 0.00 H new ATOM 0 HB THR A 47 3.754 2.245 -8.815 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.848 1.198 -10.495 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.753 -0.184 -8.331 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.603 0.769 -6.835 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.170 -0.024 -7.532 1.00 0.00 H new ATOM 735 N LYS A 48 2.372 4.317 -9.512 1.00 0.00 N ATOM 736 CA LYS A 48 2.042 5.450 -10.416 1.00 0.00 C ATOM 737 C LYS A 48 1.997 4.927 -11.851 1.00 0.00 C ATOM 738 O LYS A 48 2.038 5.675 -12.808 1.00 0.00 O ATOM 739 CB LYS A 48 3.184 6.451 -10.237 1.00 0.00 C ATOM 740 CG LYS A 48 2.876 7.373 -9.055 1.00 0.00 C ATOM 741 CD LYS A 48 4.186 7.874 -8.442 1.00 0.00 C ATOM 742 CE LYS A 48 4.533 9.245 -9.029 1.00 0.00 C ATOM 743 NZ LYS A 48 4.748 8.998 -10.481 1.00 0.00 N ATOM 0 H LYS A 48 3.318 3.948 -9.612 1.00 0.00 H new ATOM 0 HA LYS A 48 1.079 5.911 -10.197 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.121 5.922 -10.064 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.312 7.039 -11.146 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.271 8.217 -9.387 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.293 6.838 -8.305 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.089 7.944 -7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.989 7.166 -8.645 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.727 9.960 -8.865 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.427 9.660 -8.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.374 9.732 -10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.186 8.064 -10.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.834 9.025 -10.977 1.00 0.00 H new ATOM 757 N ARG A 49 1.925 3.631 -11.994 1.00 0.00 N ATOM 758 CA ARG A 49 1.890 3.015 -13.347 1.00 0.00 C ATOM 759 C ARG A 49 0.747 2.003 -13.442 1.00 0.00 C ATOM 760 O ARG A 49 -0.324 2.302 -13.931 1.00 0.00 O ATOM 761 CB ARG A 49 3.239 2.311 -13.473 1.00 0.00 C ATOM 762 CG ARG A 49 4.260 3.265 -14.095 1.00 0.00 C ATOM 763 CD ARG A 49 4.876 2.616 -15.336 1.00 0.00 C ATOM 764 NE ARG A 49 6.347 2.740 -15.144 1.00 0.00 N ATOM 765 CZ ARG A 49 7.052 1.696 -14.805 1.00 0.00 C ATOM 766 NH1 ARG A 49 7.488 0.876 -15.723 1.00 0.00 N ATOM 767 NH2 ARG A 49 7.322 1.471 -13.548 1.00 0.00 N ATOM 0 H ARG A 49 1.889 2.967 -11.220 1.00 0.00 H new ATOM 0 HA ARG A 49 1.725 3.747 -14.138 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.583 1.984 -12.492 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.138 1.418 -14.090 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.778 4.205 -14.364 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.039 3.503 -13.371 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.576 1.572 -15.426 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.553 3.120 -16.247 1.00 0.00 H new ATOM 0 HE ARG A 49 6.804 3.642 -15.278 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.277 1.052 -16.705 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.039 0.060 -15.458 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.982 2.111 -12.831 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.873 0.655 -13.283 1.00 0.00 H new ATOM 781 N GLY A 50 0.970 0.805 -12.976 1.00 0.00 N ATOM 782 CA GLY A 50 -0.099 -0.230 -13.039 1.00 0.00 C ATOM 783 C GLY A 50 0.221 -1.357 -12.055 1.00 0.00 C ATOM 784 O GLY A 50 -0.261 -2.464 -12.188 1.00 0.00 O ATOM 0 H GLY A 50 1.847 0.498 -12.554 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.065 0.214 -12.797 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.175 -0.628 -14.051 1.00 0.00 H new ATOM 788 N ARG A 51 1.027 -1.085 -11.065 1.00 0.00 N ATOM 789 CA ARG A 51 1.371 -2.143 -10.073 1.00 0.00 C ATOM 790 C ARG A 51 0.586 -1.920 -8.779 1.00 0.00 C ATOM 791 O ARG A 51 0.551 -0.830 -8.244 1.00 0.00 O ATOM 792 CB ARG A 51 2.871 -1.991 -9.829 1.00 0.00 C ATOM 793 CG ARG A 51 3.621 -3.111 -10.554 1.00 0.00 C ATOM 794 CD ARG A 51 3.507 -2.908 -12.066 1.00 0.00 C ATOM 795 NE ARG A 51 4.051 -4.159 -12.665 1.00 0.00 N ATOM 796 CZ ARG A 51 3.569 -5.317 -12.306 1.00 0.00 C ATOM 797 NH1 ARG A 51 4.038 -5.920 -11.248 1.00 0.00 N ATOM 798 NH2 ARG A 51 2.619 -5.873 -13.006 1.00 0.00 N ATOM 0 H ARG A 51 1.462 -0.177 -10.900 1.00 0.00 H new ATOM 0 HA ARG A 51 1.122 -3.143 -10.429 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.212 -1.019 -10.187 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.082 -2.029 -8.760 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.669 -3.114 -10.255 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.207 -4.080 -10.275 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.472 -2.745 -12.365 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.074 -2.036 -12.391 1.00 0.00 H new ATOM 0 HE ARG A 51 4.800 -4.110 -13.356 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.782 -5.486 -10.701 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.661 -6.825 -10.968 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.253 -5.402 -13.834 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.242 -6.778 -12.726 1.00 0.00 H new ATOM 812 N GLN A 52 -0.053 -2.941 -8.277 1.00 0.00 N ATOM 813 CA GLN A 52 -0.842 -2.783 -7.030 1.00 0.00 C ATOM 814 C GLN A 52 -0.159 -3.509 -5.870 1.00 0.00 C ATOM 815 O GLN A 52 0.585 -4.451 -6.063 1.00 0.00 O ATOM 816 CB GLN A 52 -2.193 -3.427 -7.336 1.00 0.00 C ATOM 817 CG GLN A 52 -2.510 -3.294 -8.828 1.00 0.00 C ATOM 818 CD GLN A 52 -3.892 -3.888 -9.110 1.00 0.00 C ATOM 819 OE1 GLN A 52 -4.056 -5.091 -9.130 1.00 0.00 O ATOM 820 NE2 GLN A 52 -4.900 -3.088 -9.329 1.00 0.00 N ATOM 0 H GLN A 52 -0.061 -3.878 -8.680 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.940 -1.738 -6.736 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.176 -4.479 -7.052 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.975 -2.949 -6.746 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.486 -2.245 -9.124 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.753 -3.810 -9.419 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.762 -2.078 -9.312 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.825 -3.473 -9.517 1.00 0.00 H new ATOM 829 N VAL A 53 -0.409 -3.076 -4.667 1.00 0.00 N ATOM 830 CA VAL A 53 0.215 -3.728 -3.487 1.00 0.00 C ATOM 831 C VAL A 53 -0.828 -3.894 -2.377 1.00 0.00 C ATOM 832 O VAL A 53 -1.865 -3.266 -2.394 1.00 0.00 O ATOM 833 CB VAL A 53 1.320 -2.762 -3.058 1.00 0.00 C ATOM 834 CG1 VAL A 53 1.522 -2.854 -1.548 1.00 0.00 C ATOM 835 CG2 VAL A 53 2.624 -3.130 -3.770 1.00 0.00 C ATOM 0 H VAL A 53 -1.024 -2.292 -4.451 1.00 0.00 H new ATOM 0 HA VAL A 53 0.606 -4.722 -3.705 1.00 0.00 H new ATOM 0 HB VAL A 53 1.034 -1.744 -3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.310 -2.165 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.594 -2.591 -1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.807 -3.872 -1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.412 -2.442 -3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.909 -4.148 -3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.481 -3.063 -4.849 1.00 0.00 H new ATOM 845 N CYS A 54 -0.567 -4.736 -1.415 1.00 0.00 N ATOM 846 CA CYS A 54 -1.549 -4.933 -0.315 1.00 0.00 C ATOM 847 C CYS A 54 -0.820 -5.072 1.021 1.00 0.00 C ATOM 848 O CYS A 54 -0.045 -5.985 1.221 1.00 0.00 O ATOM 849 CB CYS A 54 -2.262 -6.232 -0.673 1.00 0.00 C ATOM 850 SG CYS A 54 -3.997 -6.136 -0.163 1.00 0.00 S ATOM 0 H CYS A 54 0.283 -5.295 -1.344 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.240 -4.096 -0.212 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.198 -6.410 -1.747 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.774 -7.073 -0.181 1.00 0.00 H new ATOM 855 N ALA A 55 -1.056 -4.174 1.938 1.00 0.00 N ATOM 856 CA ALA A 55 -0.365 -4.268 3.254 1.00 0.00 C ATOM 857 C ALA A 55 -1.344 -3.976 4.393 1.00 0.00 C ATOM 858 O ALA A 55 -2.415 -3.438 4.185 1.00 0.00 O ATOM 859 CB ALA A 55 0.728 -3.203 3.197 1.00 0.00 C ATOM 0 H ALA A 55 -1.693 -3.384 1.834 1.00 0.00 H new ATOM 0 HA ALA A 55 0.041 -5.263 3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.287 -3.205 4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.404 -3.419 2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.274 -2.223 3.048 1.00 0.00 H new ATOM 865 N ASP A 56 -0.984 -4.328 5.597 1.00 0.00 N ATOM 866 CA ASP A 56 -1.889 -4.073 6.753 1.00 0.00 C ATOM 867 C ASP A 56 -1.711 -2.636 7.248 1.00 0.00 C ATOM 868 O ASP A 56 -0.608 -2.184 7.484 1.00 0.00 O ATOM 869 CB ASP A 56 -1.451 -5.071 7.825 1.00 0.00 C ATOM 870 CG ASP A 56 -2.550 -5.201 8.880 1.00 0.00 C ATOM 871 OD1 ASP A 56 -3.703 -5.003 8.535 1.00 0.00 O ATOM 872 OD2 ASP A 56 -2.221 -5.499 10.017 1.00 0.00 O ATOM 0 H ASP A 56 -0.101 -4.782 5.830 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.941 -4.193 6.494 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.250 -6.042 7.373 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.523 -4.738 8.290 1.00 0.00 H new ATOM 877 N LYS A 57 -2.785 -1.916 7.407 1.00 0.00 N ATOM 878 CA LYS A 57 -2.674 -0.508 7.885 1.00 0.00 C ATOM 879 C LYS A 57 -1.960 -0.461 9.240 1.00 0.00 C ATOM 880 O LYS A 57 -1.543 0.585 9.695 1.00 0.00 O ATOM 881 CB LYS A 57 -4.115 -0.021 8.028 1.00 0.00 C ATOM 882 CG LYS A 57 -4.564 0.643 6.726 1.00 0.00 C ATOM 883 CD LYS A 57 -5.168 2.014 7.032 1.00 0.00 C ATOM 884 CE LYS A 57 -6.691 1.892 7.124 1.00 0.00 C ATOM 885 NZ LYS A 57 -7.016 2.213 8.541 1.00 0.00 N ATOM 0 H LYS A 57 -3.735 -2.240 7.227 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.098 0.113 7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.771 -0.859 8.266 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.190 0.687 8.854 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.716 0.751 6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.298 0.016 6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.766 2.399 7.969 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.896 2.725 6.252 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.185 2.582 6.439 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.024 0.888 6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.044 2.151 8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.537 1.536 9.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.694 3.177 8.761 1.00 0.00 H new ATOM 899 N SER A 58 -1.819 -1.586 9.887 1.00 0.00 N ATOM 900 CA SER A 58 -1.135 -1.603 11.213 1.00 0.00 C ATOM 901 C SER A 58 0.385 -1.589 11.033 1.00 0.00 C ATOM 902 O SER A 58 1.128 -1.937 11.928 1.00 0.00 O ATOM 903 CB SER A 58 -1.586 -2.905 11.873 1.00 0.00 C ATOM 904 OG SER A 58 -0.684 -3.945 11.520 1.00 0.00 O ATOM 0 H SER A 58 -2.147 -2.493 9.556 1.00 0.00 H new ATOM 0 HA SER A 58 -1.386 -0.730 11.816 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.617 -2.786 12.956 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.596 -3.159 11.551 1.00 0.00 H new ATOM 0 HG SER A 58 -1.070 -4.481 10.796 1.00 0.00 H new ATOM 910 N LYS A 59 0.854 -1.188 9.883 1.00 0.00 N ATOM 911 CA LYS A 59 2.325 -1.150 9.652 1.00 0.00 C ATOM 912 C LYS A 59 2.818 0.294 9.629 1.00 0.00 C ATOM 913 O LYS A 59 2.417 1.091 8.805 1.00 0.00 O ATOM 914 CB LYS A 59 2.531 -1.817 8.293 1.00 0.00 C ATOM 915 CG LYS A 59 2.711 -3.323 8.488 1.00 0.00 C ATOM 916 CD LYS A 59 4.060 -3.593 9.156 1.00 0.00 C ATOM 917 CE LYS A 59 4.673 -4.866 8.571 1.00 0.00 C ATOM 918 NZ LYS A 59 4.918 -5.749 9.745 1.00 0.00 N ATOM 0 H LYS A 59 0.282 -0.885 9.094 1.00 0.00 H new ATOM 0 HA LYS A 59 2.881 -1.659 10.439 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.675 -1.623 7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.406 -1.396 7.798 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.903 -3.720 9.102 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.661 -3.834 7.526 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.731 -2.748 8.999 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.930 -3.701 10.233 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.998 -5.337 7.857 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.600 -4.650 8.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.339 -6.644 9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.569 -5.277 10.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.017 -5.943 10.227 1.00 0.00 H new ATOM 932 N ASP A 60 3.686 0.626 10.536 1.00 0.00 N ATOM 933 CA ASP A 60 4.223 2.010 10.600 1.00 0.00 C ATOM 934 C ASP A 60 4.471 2.563 9.193 1.00 0.00 C ATOM 935 O ASP A 60 3.917 3.573 8.808 1.00 0.00 O ATOM 936 CB ASP A 60 5.538 1.870 11.362 1.00 0.00 C ATOM 937 CG ASP A 60 5.284 1.151 12.689 1.00 0.00 C ATOM 938 OD1 ASP A 60 4.129 1.023 13.059 1.00 0.00 O ATOM 939 OD2 ASP A 60 6.250 0.741 13.311 1.00 0.00 O ATOM 0 H ASP A 60 4.052 -0.010 11.245 1.00 0.00 H new ATOM 0 HA ASP A 60 3.532 2.701 11.082 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.259 1.311 10.765 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.971 2.853 11.546 1.00 0.00 H new ATOM 944 N TRP A 61 5.307 1.918 8.426 1.00 0.00 N ATOM 945 CA TRP A 61 5.592 2.420 7.051 1.00 0.00 C ATOM 946 C TRP A 61 4.294 2.575 6.255 1.00 0.00 C ATOM 947 O TRP A 61 4.101 3.547 5.549 1.00 0.00 O ATOM 948 CB TRP A 61 6.505 1.366 6.422 1.00 0.00 C ATOM 949 CG TRP A 61 5.712 0.177 5.982 1.00 0.00 C ATOM 950 CD1 TRP A 61 5.399 -0.873 6.764 1.00 0.00 C ATOM 951 CD2 TRP A 61 5.148 -0.108 4.669 1.00 0.00 C ATOM 952 NE1 TRP A 61 4.685 -1.795 6.018 1.00 0.00 N ATOM 953 CE2 TRP A 61 4.502 -1.364 4.718 1.00 0.00 C ATOM 954 CE3 TRP A 61 5.134 0.594 3.454 1.00 0.00 C ATOM 955 CZ2 TRP A 61 3.870 -1.906 3.598 1.00 0.00 C ATOM 956 CZ3 TRP A 61 4.495 0.052 2.327 1.00 0.00 C ATOM 957 CH2 TRP A 61 3.865 -1.197 2.399 1.00 0.00 C ATOM 0 H TRP A 61 5.804 1.067 8.691 1.00 0.00 H new ATOM 0 HA TRP A 61 6.063 3.403 7.061 1.00 0.00 H new ATOM 0 HB2 TRP A 61 7.031 1.795 5.569 1.00 0.00 H new ATOM 0 HB3 TRP A 61 7.263 1.058 7.142 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.663 -0.979 7.806 1.00 0.00 H new ATOM 0 HE1 TRP A 61 4.337 -2.682 6.383 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.618 1.557 3.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.387 -2.870 3.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.489 0.602 1.398 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.377 -1.609 1.528 1.00 0.00 H new ATOM 968 N VAL A 62 3.397 1.639 6.371 1.00 0.00 N ATOM 969 CA VAL A 62 2.114 1.750 5.631 1.00 0.00 C ATOM 970 C VAL A 62 1.319 2.956 6.139 1.00 0.00 C ATOM 971 O VAL A 62 0.916 3.811 5.378 1.00 0.00 O ATOM 972 CB VAL A 62 1.383 0.443 5.933 1.00 0.00 C ATOM 973 CG1 VAL A 62 -0.118 0.687 5.931 1.00 0.00 C ATOM 974 CG2 VAL A 62 1.717 -0.591 4.860 1.00 0.00 C ATOM 0 H VAL A 62 3.497 0.803 6.946 1.00 0.00 H new ATOM 0 HA VAL A 62 2.254 1.899 4.560 1.00 0.00 H new ATOM 0 HB VAL A 62 1.697 0.076 6.910 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.639 -0.246 6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.368 1.426 6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.425 1.056 4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.195 -1.523 5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.403 -0.218 3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.792 -0.771 4.851 1.00 0.00 H new ATOM 984 N LYS A 63 1.088 3.035 7.420 1.00 0.00 N ATOM 985 CA LYS A 63 0.327 4.185 7.961 1.00 0.00 C ATOM 986 C LYS A 63 0.812 5.477 7.307 1.00 0.00 C ATOM 987 O LYS A 63 0.030 6.255 6.796 1.00 0.00 O ATOM 988 CB LYS A 63 0.634 4.174 9.455 1.00 0.00 C ATOM 989 CG LYS A 63 -0.563 4.726 10.218 1.00 0.00 C ATOM 990 CD LYS A 63 -0.214 4.853 11.702 1.00 0.00 C ATOM 991 CE LYS A 63 -0.218 3.466 12.349 1.00 0.00 C ATOM 992 NZ LYS A 63 0.001 3.715 13.802 1.00 0.00 N ATOM 0 H LYS A 63 1.395 2.351 8.112 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.744 4.120 7.768 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.854 3.159 9.785 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.520 4.775 9.661 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.845 5.699 9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.422 4.067 10.092 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.766 5.317 11.817 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.934 5.501 12.202 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.164 2.953 12.175 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.568 2.835 11.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.011 2.809 14.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.912 4.198 13.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.766 4.312 14.171 1.00 0.00 H new ATOM 1006 N LYS A 64 2.095 5.709 7.297 1.00 0.00 N ATOM 1007 CA LYS A 64 2.612 6.945 6.651 1.00 0.00 C ATOM 1008 C LYS A 64 2.130 6.986 5.203 1.00 0.00 C ATOM 1009 O LYS A 64 1.776 8.026 4.681 1.00 0.00 O ATOM 1010 CB LYS A 64 4.135 6.828 6.711 1.00 0.00 C ATOM 1011 CG LYS A 64 4.760 7.733 5.645 1.00 0.00 C ATOM 1012 CD LYS A 64 6.284 7.635 5.722 1.00 0.00 C ATOM 1013 CE LYS A 64 6.747 6.342 5.048 1.00 0.00 C ATOM 1014 NZ LYS A 64 8.004 5.969 5.756 1.00 0.00 N ATOM 0 H LYS A 64 2.803 5.100 7.706 1.00 0.00 H new ATOM 0 HA LYS A 64 2.268 7.855 7.142 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.493 7.113 7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.437 5.794 6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.416 7.437 4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.443 8.765 5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.740 8.496 5.233 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.608 7.651 6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.995 5.558 5.139 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.923 6.493 3.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.383 5.090 5.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.703 6.731 5.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.804 5.825 6.766 1.00 0.00 H new ATOM 1028 N LEU A 65 2.106 5.856 4.551 1.00 0.00 N ATOM 1029 CA LEU A 65 1.638 5.822 3.139 1.00 0.00 C ATOM 1030 C LEU A 65 0.183 6.285 3.063 1.00 0.00 C ATOM 1031 O LEU A 65 -0.142 7.229 2.377 1.00 0.00 O ATOM 1032 CB LEU A 65 1.761 4.358 2.711 1.00 0.00 C ATOM 1033 CG LEU A 65 3.189 4.089 2.236 1.00 0.00 C ATOM 1034 CD1 LEU A 65 3.554 2.635 2.525 1.00 0.00 C ATOM 1035 CD2 LEU A 65 3.283 4.340 0.730 1.00 0.00 C ATOM 0 H LEU A 65 2.391 4.955 4.936 1.00 0.00 H new ATOM 0 HA LEU A 65 2.219 6.480 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.513 3.701 3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.052 4.140 1.912 1.00 0.00 H new ATOM 0 HG LEU A 65 3.876 4.753 2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.572 2.441 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.486 2.449 3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.865 1.975 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.301 4.148 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.596 3.675 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.019 5.376 0.517 1.00 0.00 H new HETATM 1047 N MSE A 66 -0.695 5.628 3.764 1.00 0.00 N HETATM 1048 CA MSE A 66 -2.130 6.034 3.728 1.00 0.00 C HETATM 1049 C MSE A 66 -2.280 7.500 4.149 1.00 0.00 C HETATM 1050 O MSE A 66 -3.250 8.154 3.822 1.00 0.00 O HETATM 1051 CB MSE A 66 -2.828 5.106 4.726 1.00 0.00 C HETATM 1052 CG MSE A 66 -2.740 5.693 6.138 1.00 0.00 C HETATM 1053 SE MSE A 66 -4.554 6.635 6.408 1.00 0.00 SE HETATM 1054 CE MSE A 66 -4.313 7.099 8.403 1.00 0.00 C HETATM 0 H MSE A 66 -0.484 4.828 4.361 1.00 0.00 H new HETATM 0 HA MSE A 66 -2.559 5.952 2.729 1.00 0.00 H new HETATM 0 HB2 MSE A 66 -3.872 4.974 4.443 1.00 0.00 H new HETATM 0 HB3 MSE A 66 -2.364 4.120 4.704 1.00 0.00 H new HETATM 0 HG2 MSE A 66 -2.581 4.914 6.884 1.00 0.00 H new HETATM 0 HG3 MSE A 66 -1.910 6.394 6.227 1.00 0.00 H new HETATM 0 HE1 MSE A 66 -5.197 7.625 8.764 1.00 0.00 H new HETATM 0 HE2 MSE A 66 -4.177 6.182 8.976 1.00 0.00 H new HETATM 0 HE3 MSE A 66 -3.437 7.736 8.525 1.00 0.00 H new ATOM 1064 N GLN A 67 -1.328 8.019 4.874 1.00 0.00 N ATOM 1065 CA GLN A 67 -1.418 9.441 5.317 1.00 0.00 C ATOM 1066 C GLN A 67 -1.100 10.387 4.154 1.00 0.00 C ATOM 1067 O GLN A 67 -1.748 11.397 3.970 1.00 0.00 O ATOM 1068 CB GLN A 67 -0.368 9.577 6.421 1.00 0.00 C ATOM 1069 CG GLN A 67 -1.066 9.704 7.777 1.00 0.00 C ATOM 1070 CD GLN A 67 -0.839 11.109 8.339 1.00 0.00 C ATOM 1071 OE1 GLN A 67 -1.585 12.022 8.043 1.00 0.00 O ATOM 1072 NE2 GLN A 67 0.166 11.323 9.143 1.00 0.00 N ATOM 0 H GLN A 67 -0.492 7.521 5.179 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.417 9.699 5.667 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.291 8.709 6.419 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.256 10.452 6.238 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.134 9.513 7.668 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.678 8.957 8.469 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.792 10.557 9.392 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.325 12.256 9.523 1.00 0.00 H new ATOM 1081 N GLN A 68 -0.103 10.072 3.373 1.00 0.00 N ATOM 1082 CA GLN A 68 0.258 10.959 2.229 1.00 0.00 C ATOM 1083 C GLN A 68 -0.508 10.550 0.968 1.00 0.00 C ATOM 1084 O GLN A 68 -0.757 11.353 0.091 1.00 0.00 O ATOM 1085 CB GLN A 68 1.759 10.749 2.030 1.00 0.00 C ATOM 1086 CG GLN A 68 2.533 11.756 2.883 1.00 0.00 C ATOM 1087 CD GLN A 68 2.581 13.104 2.161 1.00 0.00 C ATOM 1088 OE1 GLN A 68 1.558 13.646 1.790 1.00 0.00 O ATOM 1089 NE2 GLN A 68 3.735 13.674 1.945 1.00 0.00 N ATOM 0 H GLN A 68 0.477 9.240 3.477 1.00 0.00 H new ATOM 0 HA GLN A 68 0.008 12.002 2.424 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.035 9.732 2.309 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.018 10.872 0.978 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.054 11.869 3.856 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.544 11.393 3.066 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.594 13.220 2.256 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.778 14.573 1.465 1.00 0.00 H new ATOM 1098 N LEU A 69 -0.877 9.305 0.869 1.00 0.00 N ATOM 1099 CA LEU A 69 -1.619 8.836 -0.333 1.00 0.00 C ATOM 1100 C LEU A 69 -3.128 8.984 -0.114 1.00 0.00 C ATOM 1101 O LEU A 69 -3.609 8.877 0.997 1.00 0.00 O ATOM 1102 CB LEU A 69 -1.249 7.359 -0.483 1.00 0.00 C ATOM 1103 CG LEU A 69 0.235 7.142 -0.176 1.00 0.00 C ATOM 1104 CD1 LEU A 69 0.439 5.719 0.337 1.00 0.00 C ATOM 1105 CD2 LEU A 69 1.059 7.330 -1.447 1.00 0.00 C ATOM 0 H LEU A 69 -0.696 8.589 1.572 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.364 9.413 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.857 6.756 0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.469 7.024 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 69 0.554 7.863 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.495 5.559 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.147 5.572 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.115 5.008 -0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.114 7.174 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.738 6.609 -2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.914 8.341 -1.828 1.00 0.00 H new ATOM 1117 N PRO A 70 -3.821 9.226 -1.191 1.00 0.00 N ATOM 1118 CA PRO A 70 -5.288 9.392 -1.137 1.00 0.00 C ATOM 1119 C PRO A 70 -5.987 8.030 -1.193 1.00 0.00 C ATOM 1120 O PRO A 70 -5.742 7.233 -2.077 1.00 0.00 O ATOM 1121 CB PRO A 70 -5.593 10.205 -2.390 1.00 0.00 C ATOM 1122 CG PRO A 70 -4.468 9.915 -3.343 1.00 0.00 C ATOM 1123 CD PRO A 70 -3.303 9.371 -2.550 1.00 0.00 C ATOM 0 HA PRO A 70 -5.633 9.871 -0.221 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.554 9.919 -2.819 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.650 11.270 -2.163 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.785 9.193 -4.096 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.176 10.822 -3.873 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.963 8.415 -2.949 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.451 10.050 -2.580 1.00 0.00 H new ATOM 1131 N VAL A 71 -6.860 7.756 -0.260 1.00 0.00 N ATOM 1132 CA VAL A 71 -7.573 6.443 -0.272 1.00 0.00 C ATOM 1133 C VAL A 71 -8.444 6.330 -1.524 1.00 0.00 C ATOM 1134 O VAL A 71 -9.633 6.579 -1.491 1.00 0.00 O ATOM 1135 CB VAL A 71 -8.448 6.443 0.982 1.00 0.00 C ATOM 1136 CG1 VAL A 71 -9.152 7.794 1.104 1.00 0.00 C ATOM 1137 CG2 VAL A 71 -9.497 5.334 0.870 1.00 0.00 C ATOM 0 H VAL A 71 -7.110 8.381 0.507 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.879 5.603 -0.282 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.828 6.271 1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.777 7.799 1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.408 8.587 1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.774 7.961 0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.122 5.333 1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.119 5.509 -0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.998 4.370 0.775 1.00 0.00 H new ATOM 1147 N THR A 72 -7.856 5.955 -2.626 1.00 0.00 N ATOM 1148 CA THR A 72 -8.635 5.814 -3.893 1.00 0.00 C ATOM 1149 C THR A 72 -10.044 5.292 -3.599 1.00 0.00 C ATOM 1150 O THR A 72 -10.293 4.688 -2.574 1.00 0.00 O ATOM 1151 CB THR A 72 -7.854 4.791 -4.718 1.00 0.00 C ATOM 1152 OG1 THR A 72 -6.462 4.969 -4.495 1.00 0.00 O ATOM 1153 CG2 THR A 72 -8.162 4.977 -6.203 1.00 0.00 C ATOM 0 H THR A 72 -6.863 5.738 -2.706 1.00 0.00 H new ATOM 0 HA THR A 72 -8.751 6.765 -4.413 1.00 0.00 H new ATOM 0 HB THR A 72 -8.147 3.786 -4.416 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.186 4.446 -3.714 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.602 4.245 -6.785 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.229 4.837 -6.374 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.874 5.982 -6.511 1.00 0.00 H new ATOM 1161 N ALA A 73 -10.968 5.519 -4.491 1.00 0.00 N ATOM 1162 CA ALA A 73 -12.360 5.035 -4.262 1.00 0.00 C ATOM 1163 C ALA A 73 -12.608 3.741 -5.043 1.00 0.00 C ATOM 1164 O ALA A 73 -11.873 3.402 -5.950 1.00 0.00 O ATOM 1165 CB ALA A 73 -13.260 6.157 -4.782 1.00 0.00 C ATOM 0 H ALA A 73 -10.820 6.018 -5.368 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.551 4.812 -3.212 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.305 5.877 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.057 7.073 -4.228 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.061 6.322 -5.841 1.00 0.00 H new ATOM 1171 N ARG A 74 -13.638 3.017 -4.699 1.00 0.00 N ATOM 1172 CA ARG A 74 -13.932 1.747 -5.421 1.00 0.00 C ATOM 1173 C ARG A 74 -15.444 1.566 -5.582 1.00 0.00 C ATOM 1174 CB ARG A 74 -13.352 0.645 -4.533 1.00 0.00 C ATOM 1175 CG ARG A 74 -12.358 -0.193 -5.340 1.00 0.00 C ATOM 1176 CD ARG A 74 -12.961 -1.571 -5.621 1.00 0.00 C ATOM 1177 NE ARG A 74 -12.516 -2.423 -4.484 1.00 0.00 N ATOM 1178 CZ ARG A 74 -12.726 -3.710 -4.514 1.00 0.00 C ATOM 1179 NH1 ARG A 74 -12.320 -4.414 -5.535 1.00 0.00 N ATOM 1180 NH2 ARG A 74 -13.341 -4.294 -3.523 1.00 0.00 N ATOM 0 H ARG A 74 -14.289 3.250 -3.949 1.00 0.00 H new ATOM 0 HA ARG A 74 -13.503 1.733 -6.423 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -12.855 1.085 -3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -14.153 0.011 -4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -12.120 0.309 -6.278 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.424 -0.299 -4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -14.049 -1.523 -5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -12.611 -1.969 -6.573 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.047 -2.001 -3.682 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.838 -3.958 -6.310 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.484 -5.420 -5.558 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.658 -3.744 -2.724 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.505 -5.300 -3.547 1.00 0.00 H new TER 1194 ARG A 74