USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 827 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 NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 109 ZNZN :(H bumps) USER MOD Set 1.1: A 9 TYR OH : rot -148:sc= 1.03 USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0 X(o=1,f=1) USER MOD Set 2.1: A 5 SER OG : rot -170:sc= 0.764 USER MOD Set 2.2: A 47 LYS NZ :NH3+ -173:sc= 1.32 (180deg=0.65) USER MOD Set 3.1: A 27 SER OG : rot -179:sc= 0.878 USER MOD Set 3.2: A 104 SER OG : rot 180:sc= 0.768 USER MOD Set 4.1: A 20 SER OG : rot 160:sc= 0.409 USER MOD Set 4.2: A 22 LYS NZ :NH3+ -159:sc= 0.438 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 1.01 (180deg=0.98) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 1.85 (180deg=1.84) USER MOD Single : A 13 TYR OH : rot -23:sc= 1.75 USER MOD Single : A 15 LYS NZ :NH3+ -167:sc= 3.32 (180deg=3.04) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -98:sc= 1.24 USER MOD Single : A 35 MET CE :methyl -167:sc= 0 (180deg=-0.295) USER MOD Single : A 38 MET CE :methyl -161:sc= -1.88 (180deg=-2.61) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 76:sc= 0.764 USER MOD Single : A 43 MET CE :methyl 141:sc= -0.101 (180deg=-0.526) USER MOD Single : A 50 HIS : no HD1:sc= -0.072 X(o=-0.072,f=-0.091) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 2.1 (180deg=1.92) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.508 X(o=-0.51,f=-0.15) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 82 GLN : amide:sc= 1.06 K(o=1.1,f=-0.73) USER MOD Single : A 83 GLN : amide:sc= 0.74 K(o=0.74,f=-0.48) USER MOD Single : A 84 LYS NZ :NH3+ 163:sc= 1.28 (180deg=1.13) USER MOD Single : A 86 LYS NZ :NH3+ 160:sc= 1.22 (180deg=1.06) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 82:sc= 1.24 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 1.07 K(o=1.1,f=-0.47) USER MOD Single : A 105 LYS NZ :NH3+ -172:sc= 1.25 (180deg=1.19) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.781 -7.280 17.407 1.00 0.00 N ATOM 2 CA MET A 1 -6.153 -6.613 18.572 1.00 0.00 C ATOM 3 C MET A 1 -4.689 -7.036 18.698 1.00 0.00 C ATOM 4 O MET A 1 -4.399 -8.219 18.885 1.00 0.00 O ATOM 5 CB MET A 1 -6.937 -6.879 19.873 1.00 0.00 C ATOM 6 CG MET A 1 -6.340 -6.151 21.086 1.00 0.00 C ATOM 7 SD MET A 1 -6.163 -4.354 20.890 1.00 0.00 S ATOM 8 CE MET A 1 -5.384 -3.951 22.478 1.00 0.00 C ATOM 0 H1 MET A 1 -7.798 -7.065 17.391 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.340 -6.935 16.530 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.645 -8.308 17.481 1.00 0.00 H new ATOM 0 HA MET A 1 -6.183 -5.536 18.404 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.972 -6.564 19.739 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.953 -7.951 20.070 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.969 -6.347 21.954 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.360 -6.577 21.300 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.201 -2.878 22.532 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.044 -4.248 23.293 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.438 -4.485 22.565 1.00 0.00 H new ATOM 20 N ALA A 2 -3.765 -6.075 18.603 1.00 0.00 N ATOM 21 CA ALA A 2 -2.322 -6.244 18.814 1.00 0.00 C ATOM 22 C ALA A 2 -1.671 -4.907 19.235 1.00 0.00 C ATOM 23 O ALA A 2 -2.293 -3.846 19.141 1.00 0.00 O ATOM 24 CB ALA A 2 -1.680 -6.800 17.529 1.00 0.00 C ATOM 0 H ALA A 2 -4.013 -5.114 18.366 1.00 0.00 H new ATOM 0 HA ALA A 2 -2.156 -6.955 19.624 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.608 -6.926 17.683 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.128 -7.764 17.286 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.849 -6.104 16.707 1.00 0.00 H new ATOM 30 N GLU A 3 -0.412 -4.944 19.684 1.00 0.00 N ATOM 31 CA GLU A 3 0.329 -3.757 20.153 1.00 0.00 C ATOM 32 C GLU A 3 0.600 -2.728 19.043 1.00 0.00 C ATOM 33 O GLU A 3 0.581 -1.521 19.303 1.00 0.00 O ATOM 34 CB GLU A 3 1.632 -4.233 20.822 1.00 0.00 C ATOM 35 CG GLU A 3 2.396 -3.106 21.530 1.00 0.00 C ATOM 36 CD GLU A 3 3.591 -3.663 22.326 1.00 0.00 C ATOM 37 OE1 GLU A 3 4.703 -3.790 21.758 1.00 0.00 O ATOM 38 OE2 GLU A 3 3.431 -3.973 23.534 1.00 0.00 O ATOM 0 H GLU A 3 0.131 -5.806 19.735 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.292 -3.227 20.875 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.397 -5.014 21.545 1.00 0.00 H new ATOM 0 HB3 GLU A 3 2.277 -4.682 20.067 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.750 -2.384 20.794 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.724 -2.573 22.202 1.00 0.00 H new ATOM 45 N SER A 4 0.839 -3.189 17.811 1.00 0.00 N ATOM 46 CA SER A 4 1.238 -2.320 16.691 1.00 0.00 C ATOM 47 C SER A 4 0.972 -2.912 15.299 1.00 0.00 C ATOM 48 O SER A 4 0.587 -2.183 14.382 1.00 0.00 O ATOM 49 CB SER A 4 2.725 -1.987 16.862 1.00 0.00 C ATOM 50 OG SER A 4 3.534 -3.147 16.717 1.00 0.00 O ATOM 0 H SER A 4 0.762 -4.174 17.559 1.00 0.00 H new ATOM 0 HA SER A 4 0.618 -1.425 16.731 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.020 -1.241 16.124 1.00 0.00 H new ATOM 0 HB3 SER A 4 2.890 -1.546 17.845 1.00 0.00 H new ATOM 0 HG SER A 4 4.477 -2.904 16.829 1.00 0.00 H new ATOM 56 N SER A 5 1.094 -4.234 15.135 1.00 0.00 N ATOM 57 CA SER A 5 0.850 -4.965 13.878 1.00 0.00 C ATOM 58 C SER A 5 -0.620 -5.338 13.650 1.00 0.00 C ATOM 59 O SER A 5 -0.939 -6.395 13.101 1.00 0.00 O ATOM 60 CB SER A 5 1.822 -6.146 13.743 1.00 0.00 C ATOM 61 OG SER A 5 1.611 -7.135 14.741 1.00 0.00 O ATOM 0 H SER A 5 1.375 -4.850 15.898 1.00 0.00 H new ATOM 0 HA SER A 5 1.063 -4.278 13.059 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.707 -6.597 12.757 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.847 -5.780 13.808 1.00 0.00 H new ATOM 0 HG SER A 5 2.344 -7.785 14.717 1.00 0.00 H new ATOM 67 N ASP A 6 -1.538 -4.463 14.069 1.00 0.00 N ATOM 68 CA ASP A 6 -2.977 -4.739 14.135 1.00 0.00 C ATOM 69 C ASP A 6 -3.751 -4.441 12.831 1.00 0.00 C ATOM 70 O ASP A 6 -4.848 -3.874 12.839 1.00 0.00 O ATOM 71 CB ASP A 6 -3.576 -4.061 15.379 1.00 0.00 C ATOM 72 CG ASP A 6 -4.925 -4.666 15.802 1.00 0.00 C ATOM 73 OD1 ASP A 6 -5.147 -5.884 15.601 1.00 0.00 O ATOM 74 OD2 ASP A 6 -5.739 -3.957 16.434 1.00 0.00 O ATOM 0 H ASP A 6 -1.297 -3.522 14.379 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.096 -5.817 14.240 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.871 -4.144 16.206 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.708 -2.998 15.179 1.00 0.00 H new ATOM 79 N LYS A 7 -3.147 -4.791 11.691 1.00 0.00 N ATOM 80 CA LYS A 7 -3.641 -4.632 10.324 1.00 0.00 C ATOM 81 C LYS A 7 -3.172 -5.816 9.483 1.00 0.00 C ATOM 82 O LYS A 7 -2.329 -6.603 9.912 1.00 0.00 O ATOM 83 CB LYS A 7 -3.191 -3.282 9.734 1.00 0.00 C ATOM 84 CG LYS A 7 -1.668 -3.100 9.724 1.00 0.00 C ATOM 85 CD LYS A 7 -1.183 -2.313 10.946 1.00 0.00 C ATOM 86 CE LYS A 7 0.338 -2.159 10.915 1.00 0.00 C ATOM 87 NZ LYS A 7 0.791 -1.028 11.762 1.00 0.00 N ATOM 0 H LYS A 7 -2.225 -5.228 11.704 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.731 -4.622 10.323 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.567 -3.196 8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.642 -2.474 10.309 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.185 -4.077 9.705 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.370 -2.579 8.814 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.654 -1.330 10.963 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.484 -2.826 11.859 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.805 -3.082 11.260 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.667 -2.000 9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.822 -0.922 11.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.326 -0.152 11.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.543 -1.216 12.754 1.00 0.00 H new ATOM 101 N LEU A 8 -3.687 -5.895 8.265 1.00 0.00 N ATOM 102 CA LEU A 8 -3.194 -6.776 7.208 1.00 0.00 C ATOM 103 C LEU A 8 -2.574 -5.995 6.039 1.00 0.00 C ATOM 104 O LEU A 8 -1.782 -6.564 5.290 1.00 0.00 O ATOM 105 CB LEU A 8 -4.302 -7.756 6.783 1.00 0.00 C ATOM 106 CG LEU A 8 -5.605 -7.136 6.238 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.367 -8.208 5.463 1.00 0.00 C ATOM 108 CD2 LEU A 8 -6.561 -6.613 7.318 1.00 0.00 C ATOM 0 H LEU A 8 -4.485 -5.331 7.972 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.372 -7.373 7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.895 -8.419 6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.554 -8.377 7.642 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.297 -6.288 5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.292 -7.785 5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.752 -8.566 4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.602 -9.040 6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.450 -6.195 6.846 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.851 -7.433 7.975 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.062 -5.839 7.902 1.00 0.00 H new ATOM 120 N TYR A 9 -2.859 -4.691 5.930 1.00 0.00 N ATOM 121 CA TYR A 9 -2.432 -3.814 4.841 1.00 0.00 C ATOM 122 C TYR A 9 -1.951 -2.465 5.399 1.00 0.00 C ATOM 123 O TYR A 9 -2.377 -2.021 6.468 1.00 0.00 O ATOM 124 CB TYR A 9 -3.588 -3.581 3.849 1.00 0.00 C ATOM 125 CG TYR A 9 -4.341 -4.798 3.330 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.646 -5.933 2.876 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.748 -4.777 3.267 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.343 -7.046 2.370 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.455 -5.886 2.761 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.751 -7.020 2.298 1.00 0.00 C ATOM 131 OH TYR A 9 -6.422 -8.079 1.771 1.00 0.00 O ATOM 0 H TYR A 9 -3.417 -4.201 6.629 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.608 -4.299 4.317 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.311 -2.920 4.328 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.187 -3.045 2.989 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.567 -5.951 2.916 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.288 -3.906 3.608 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.800 -7.919 2.037 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.534 -5.869 2.727 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.239 -7.763 1.332 1.00 0.00 H new ATOM 141 N ARG A 10 -1.091 -1.778 4.651 1.00 0.00 N ATOM 142 CA ARG A 10 -0.564 -0.440 4.952 1.00 0.00 C ATOM 143 C ARG A 10 -0.460 0.361 3.653 1.00 0.00 C ATOM 144 O ARG A 10 -0.201 -0.219 2.604 1.00 0.00 O ATOM 145 CB ARG A 10 0.751 -0.594 5.761 1.00 0.00 C ATOM 146 CG ARG A 10 1.888 0.422 5.529 1.00 0.00 C ATOM 147 CD ARG A 10 1.619 1.854 6.004 1.00 0.00 C ATOM 148 NE ARG A 10 1.513 2.023 7.467 1.00 0.00 N ATOM 149 CZ ARG A 10 1.554 3.191 8.089 1.00 0.00 C ATOM 150 NH1 ARG A 10 1.887 4.291 7.477 1.00 0.00 N ATOM 151 NH2 ARG A 10 1.234 3.288 9.342 1.00 0.00 N ATOM 0 H ARG A 10 -0.722 -2.152 3.777 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.230 0.142 5.589 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.493 -0.565 6.820 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.150 -1.588 5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.783 0.056 6.032 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.111 0.450 4.462 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.419 2.497 5.637 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.694 2.204 5.546 1.00 0.00 H new ATOM 0 HE ARG A 10 1.401 1.184 8.036 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.127 4.271 6.486 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.908 5.173 7.989 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.946 2.458 9.861 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.270 4.194 9.809 1.00 0.00 H new ATOM 165 N VAL A 11 -0.674 1.672 3.705 1.00 0.00 N ATOM 166 CA VAL A 11 -0.365 2.637 2.637 1.00 0.00 C ATOM 167 C VAL A 11 0.291 3.896 3.213 1.00 0.00 C ATOM 168 O VAL A 11 -0.017 4.298 4.334 1.00 0.00 O ATOM 169 CB VAL A 11 -1.640 2.958 1.842 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.607 3.901 2.568 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.336 3.601 0.483 1.00 0.00 C ATOM 0 H VAL A 11 -1.085 2.118 4.525 1.00 0.00 H new ATOM 0 HA VAL A 11 0.356 2.195 1.949 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.110 1.982 1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.481 4.078 1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.920 3.447 3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.108 4.848 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.270 3.808 -0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.791 4.533 0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.730 2.920 -0.114 1.00 0.00 H new ATOM 181 N GLU A 12 1.202 4.525 2.475 1.00 0.00 N ATOM 182 CA GLU A 12 1.761 5.829 2.846 1.00 0.00 C ATOM 183 C GLU A 12 2.259 6.646 1.651 1.00 0.00 C ATOM 184 O GLU A 12 2.577 6.115 0.583 1.00 0.00 O ATOM 185 CB GLU A 12 2.898 5.673 3.882 1.00 0.00 C ATOM 186 CG GLU A 12 4.196 5.054 3.330 1.00 0.00 C ATOM 187 CD GLU A 12 5.402 5.183 4.279 1.00 0.00 C ATOM 188 OE1 GLU A 12 5.240 5.588 5.454 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.537 4.919 3.815 1.00 0.00 O ATOM 0 H GLU A 12 1.575 4.149 1.604 1.00 0.00 H new ATOM 0 HA GLU A 12 0.934 6.384 3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.128 6.654 4.298 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.539 5.055 4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.023 3.999 3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.440 5.532 2.381 1.00 0.00 H new ATOM 196 N TYR A 13 2.428 7.946 1.899 1.00 0.00 N ATOM 197 CA TYR A 13 3.418 8.759 1.201 1.00 0.00 C ATOM 198 C TYR A 13 4.822 8.386 1.704 1.00 0.00 C ATOM 199 O TYR A 13 5.082 8.394 2.912 1.00 0.00 O ATOM 200 CB TYR A 13 3.096 10.246 1.410 1.00 0.00 C ATOM 201 CG TYR A 13 1.770 10.751 0.848 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.044 10.026 -0.123 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.288 12.004 1.275 1.00 0.00 C ATOM 204 CE1 TYR A 13 -0.103 10.584 -0.714 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.120 12.552 0.709 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.560 11.857 -0.312 1.00 0.00 C ATOM 207 OH TYR A 13 -1.650 12.414 -0.899 1.00 0.00 O ATOM 0 H TYR A 13 1.882 8.462 2.589 1.00 0.00 H new ATOM 0 HA TYR A 13 3.390 8.567 0.128 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.110 10.449 2.481 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.899 10.833 0.964 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.372 9.039 -0.413 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.818 12.549 2.042 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.636 10.037 -1.478 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.254 13.504 1.057 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.782 12.019 -1.786 1.00 0.00 H new ATOM 217 N ALA A 14 5.707 8.006 0.783 1.00 0.00 N ATOM 218 CA ALA A 14 6.985 7.361 1.068 1.00 0.00 C ATOM 219 C ALA A 14 7.997 8.297 1.759 1.00 0.00 C ATOM 220 O ALA A 14 8.325 9.364 1.234 1.00 0.00 O ATOM 221 CB ALA A 14 7.529 6.815 -0.256 1.00 0.00 C ATOM 0 H ALA A 14 5.547 8.144 -0.215 1.00 0.00 H new ATOM 0 HA ALA A 14 6.826 6.553 1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.487 6.324 -0.081 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.823 6.095 -0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.665 7.636 -0.960 1.00 0.00 H new ATOM 227 N LYS A 15 8.524 7.872 2.917 1.00 0.00 N ATOM 228 CA LYS A 15 9.418 8.684 3.772 1.00 0.00 C ATOM 229 C LYS A 15 10.883 8.689 3.319 1.00 0.00 C ATOM 230 O LYS A 15 11.563 9.709 3.423 1.00 0.00 O ATOM 231 CB LYS A 15 9.337 8.186 5.231 1.00 0.00 C ATOM 232 CG LYS A 15 7.920 8.086 5.814 1.00 0.00 C ATOM 233 CD LYS A 15 7.131 9.400 5.715 1.00 0.00 C ATOM 234 CE LYS A 15 5.775 9.300 6.418 1.00 0.00 C ATOM 235 NZ LYS A 15 4.876 8.318 5.768 1.00 0.00 N ATOM 0 H LYS A 15 8.342 6.943 3.296 1.00 0.00 H new ATOM 0 HA LYS A 15 9.064 9.712 3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.806 7.204 5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.924 8.856 5.859 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.373 7.301 5.291 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.985 7.786 6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.712 10.208 6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.979 9.655 4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.928 9.016 7.459 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.297 10.280 6.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.909 8.439 6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.881 8.470 4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.206 7.354 5.977 1.00 0.00 H new ATOM 249 N SER A 16 11.373 7.537 2.857 1.00 0.00 N ATOM 250 CA SER A 16 12.783 7.258 2.535 1.00 0.00 C ATOM 251 C SER A 16 12.901 6.022 1.631 1.00 0.00 C ATOM 252 O SER A 16 12.022 5.154 1.645 1.00 0.00 O ATOM 253 CB SER A 16 13.574 7.039 3.831 1.00 0.00 C ATOM 254 OG SER A 16 14.961 6.972 3.543 1.00 0.00 O ATOM 0 H SER A 16 10.772 6.731 2.687 1.00 0.00 H new ATOM 0 HA SER A 16 13.195 8.113 1.999 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.377 7.852 4.529 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.249 6.118 4.315 1.00 0.00 H new ATOM 0 HG SER A 16 15.461 6.834 4.374 1.00 0.00 H new ATOM 260 N GLY A 17 13.993 5.906 0.871 1.00 0.00 N ATOM 261 CA GLY A 17 14.260 4.828 -0.097 1.00 0.00 C ATOM 262 C GLY A 17 14.647 3.463 0.502 1.00 0.00 C ATOM 263 O GLY A 17 15.334 2.679 -0.155 1.00 0.00 O ATOM 0 H GLY A 17 14.750 6.588 0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.372 4.693 -0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.062 5.152 -0.760 1.00 0.00 H new ATOM 267 N ARG A 18 14.258 3.177 1.754 1.00 0.00 N ATOM 268 CA ARG A 18 14.607 1.944 2.493 1.00 0.00 C ATOM 269 C ARG A 18 13.756 0.723 2.109 1.00 0.00 C ATOM 270 O ARG A 18 14.184 -0.409 2.330 1.00 0.00 O ATOM 271 CB ARG A 18 14.508 2.205 4.010 1.00 0.00 C ATOM 272 CG ARG A 18 15.444 3.302 4.547 1.00 0.00 C ATOM 273 CD ARG A 18 16.930 2.975 4.351 1.00 0.00 C ATOM 274 NE ARG A 18 17.792 3.989 4.987 1.00 0.00 N ATOM 275 CZ ARG A 18 19.111 3.966 5.072 1.00 0.00 C ATOM 276 NH1 ARG A 18 19.822 2.996 4.569 1.00 0.00 N ATOM 277 NH2 ARG A 18 19.750 4.929 5.673 1.00 0.00 N ATOM 0 H ARG A 18 13.675 3.812 2.300 1.00 0.00 H new ATOM 0 HA ARG A 18 15.630 1.694 2.212 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.480 2.477 4.250 1.00 0.00 H new ATOM 0 HB3 ARG A 18 14.723 1.276 4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 18 15.216 4.243 4.046 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.248 3.451 5.609 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.147 1.994 4.773 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.155 2.920 3.286 1.00 0.00 H new ATOM 0 HE ARG A 18 17.321 4.792 5.405 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.362 2.221 4.091 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.838 3.012 4.654 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.233 5.707 6.082 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.768 4.905 5.735 1.00 0.00 H new ATOM 291 N ALA A 19 12.565 0.941 1.549 1.00 0.00 N ATOM 292 CA ALA A 19 11.637 -0.108 1.130 1.00 0.00 C ATOM 293 C ALA A 19 11.945 -0.621 -0.289 1.00 0.00 C ATOM 294 O ALA A 19 12.271 0.164 -1.185 1.00 0.00 O ATOM 295 CB ALA A 19 10.212 0.440 1.233 1.00 0.00 C ATOM 0 H ALA A 19 12.210 1.880 1.370 1.00 0.00 H new ATOM 0 HA ALA A 19 11.749 -0.969 1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.503 -0.329 0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.007 0.729 2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.109 1.310 0.584 1.00 0.00 H new ATOM 301 N SER A 20 11.774 -1.926 -0.516 1.00 0.00 N ATOM 302 CA SER A 20 11.907 -2.564 -1.831 1.00 0.00 C ATOM 303 C SER A 20 10.588 -3.218 -2.220 1.00 0.00 C ATOM 304 O SER A 20 9.807 -3.583 -1.343 1.00 0.00 O ATOM 305 CB SER A 20 13.081 -3.552 -1.863 1.00 0.00 C ATOM 306 OG SER A 20 12.946 -4.600 -0.909 1.00 0.00 O ATOM 0 H SER A 20 11.534 -2.584 0.225 1.00 0.00 H new ATOM 0 HA SER A 20 12.137 -1.799 -2.573 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.160 -3.983 -2.861 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.009 -3.013 -1.675 1.00 0.00 H new ATOM 0 HG SER A 20 13.515 -5.354 -1.169 1.00 0.00 H new ATOM 312 N CYS A 21 10.322 -3.334 -3.522 1.00 0.00 N ATOM 313 CA CYS A 21 9.079 -3.887 -4.046 1.00 0.00 C ATOM 314 C CYS A 21 9.176 -5.414 -4.139 1.00 0.00 C ATOM 315 O CYS A 21 9.922 -5.952 -4.964 1.00 0.00 O ATOM 316 CB CYS A 21 8.804 -3.219 -5.390 1.00 0.00 C ATOM 317 SG CYS A 21 7.145 -3.664 -6.019 1.00 0.00 S ATOM 0 H CYS A 21 10.975 -3.042 -4.249 1.00 0.00 H new ATOM 0 HA CYS A 21 8.239 -3.683 -3.382 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.878 -2.137 -5.284 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.563 -3.521 -6.112 1.00 0.00 H new ATOM 322 N LYS A 22 8.427 -6.136 -3.296 1.00 0.00 N ATOM 323 CA LYS A 22 8.539 -7.609 -3.202 1.00 0.00 C ATOM 324 C LYS A 22 7.859 -8.347 -4.374 1.00 0.00 C ATOM 325 O LYS A 22 7.882 -9.579 -4.407 1.00 0.00 O ATOM 326 CB LYS A 22 8.089 -8.163 -1.825 1.00 0.00 C ATOM 327 CG LYS A 22 8.144 -7.211 -0.619 1.00 0.00 C ATOM 328 CD LYS A 22 9.512 -6.615 -0.263 1.00 0.00 C ATOM 329 CE LYS A 22 10.541 -7.660 0.171 1.00 0.00 C ATOM 330 NZ LYS A 22 11.818 -7.003 0.555 1.00 0.00 N ATOM 0 H LYS A 22 7.735 -5.730 -2.666 1.00 0.00 H new ATOM 0 HA LYS A 22 9.605 -7.820 -3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.063 -8.518 -1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.706 -9.032 -1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.454 -6.388 -0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.771 -7.748 0.253 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.899 -6.073 -1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.385 -5.888 0.539 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.153 -8.234 1.012 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.717 -8.365 -0.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.594 -7.694 0.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.012 -6.214 -0.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.743 -6.640 1.527 1.00 0.00 H new ATOM 344 N LYS A 23 7.254 -7.612 -5.322 1.00 0.00 N ATOM 345 CA LYS A 23 6.496 -8.139 -6.473 1.00 0.00 C ATOM 346 C LYS A 23 7.212 -7.926 -7.811 1.00 0.00 C ATOM 347 O LYS A 23 7.429 -8.913 -8.516 1.00 0.00 O ATOM 348 CB LYS A 23 5.069 -7.559 -6.449 1.00 0.00 C ATOM 349 CG LYS A 23 4.143 -8.046 -7.574 1.00 0.00 C ATOM 350 CD LYS A 23 3.974 -9.573 -7.621 1.00 0.00 C ATOM 351 CE LYS A 23 2.915 -9.947 -8.663 1.00 0.00 C ATOM 352 NZ LYS A 23 2.749 -11.420 -8.782 1.00 0.00 N ATOM 0 H LYS A 23 7.280 -6.592 -5.308 1.00 0.00 H new ATOM 0 HA LYS A 23 6.428 -9.223 -6.377 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.611 -7.805 -5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.135 -6.472 -6.500 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.163 -7.585 -7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.538 -7.704 -8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.924 -10.046 -7.869 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.679 -9.946 -6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.961 -9.495 -8.390 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.197 -9.534 -9.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.024 -11.631 -9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.652 -11.849 -9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.455 -11.811 -7.865 1.00 0.00 H new ATOM 366 N CYS A 24 7.614 -6.692 -8.149 1.00 0.00 N ATOM 367 CA CYS A 24 8.371 -6.407 -9.384 1.00 0.00 C ATOM 368 C CYS A 24 9.912 -6.382 -9.197 1.00 0.00 C ATOM 369 O CYS A 24 10.662 -6.269 -10.171 1.00 0.00 O ATOM 370 CB CYS A 24 7.765 -5.207 -10.135 1.00 0.00 C ATOM 371 SG CYS A 24 8.279 -3.579 -9.474 1.00 0.00 S ATOM 0 H CYS A 24 7.427 -5.866 -7.580 1.00 0.00 H new ATOM 0 HA CYS A 24 8.249 -7.261 -10.050 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.050 -5.267 -11.185 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.678 -5.277 -10.095 1.00 0.00 H new ATOM 376 N SER A 25 10.387 -6.587 -7.960 1.00 0.00 N ATOM 377 CA SER A 25 11.805 -6.703 -7.562 1.00 0.00 C ATOM 378 C SER A 25 12.669 -5.451 -7.803 1.00 0.00 C ATOM 379 O SER A 25 13.899 -5.535 -7.845 1.00 0.00 O ATOM 380 CB SER A 25 12.450 -7.987 -8.111 1.00 0.00 C ATOM 381 OG SER A 25 11.712 -9.142 -7.731 1.00 0.00 O ATOM 0 H SER A 25 9.759 -6.682 -7.162 1.00 0.00 H new ATOM 0 HA SER A 25 11.777 -6.782 -6.475 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.507 -7.931 -9.198 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.472 -8.069 -7.742 1.00 0.00 H new ATOM 0 HG SER A 25 12.145 -9.942 -8.096 1.00 0.00 H new ATOM 387 N GLU A 26 12.043 -4.279 -7.925 1.00 0.00 N ATOM 388 CA GLU A 26 12.707 -2.966 -7.927 1.00 0.00 C ATOM 389 C GLU A 26 12.680 -2.321 -6.520 1.00 0.00 C ATOM 390 O GLU A 26 12.315 -2.962 -5.532 1.00 0.00 O ATOM 391 CB GLU A 26 12.089 -2.074 -9.024 1.00 0.00 C ATOM 392 CG GLU A 26 12.280 -2.672 -10.430 1.00 0.00 C ATOM 393 CD GLU A 26 11.883 -1.695 -11.559 1.00 0.00 C ATOM 394 OE1 GLU A 26 12.358 -0.533 -11.566 1.00 0.00 O ATOM 395 OE2 GLU A 26 11.140 -2.096 -12.489 1.00 0.00 O ATOM 0 H GLU A 26 11.031 -4.211 -8.028 1.00 0.00 H new ATOM 0 HA GLU A 26 13.762 -3.090 -8.169 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.025 -1.943 -8.828 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.545 -1.085 -8.986 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.323 -2.962 -10.557 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.684 -3.581 -10.517 1.00 0.00 H new ATOM 402 N SER A 27 13.090 -1.054 -6.398 1.00 0.00 N ATOM 403 CA SER A 27 13.137 -0.302 -5.133 1.00 0.00 C ATOM 404 C SER A 27 12.273 0.952 -5.173 1.00 0.00 C ATOM 405 O SER A 27 12.089 1.556 -6.233 1.00 0.00 O ATOM 406 CB SER A 27 14.572 0.041 -4.770 1.00 0.00 C ATOM 407 OG SER A 27 14.645 0.640 -3.495 1.00 0.00 O ATOM 0 H SER A 27 13.408 -0.505 -7.197 1.00 0.00 H new ATOM 0 HA SER A 27 12.723 -0.947 -4.358 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.180 -0.863 -4.785 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.987 0.717 -5.517 1.00 0.00 H new ATOM 0 HG SER A 27 15.578 0.858 -3.289 1.00 0.00 H new ATOM 413 N ILE A 28 11.726 1.340 -4.023 1.00 0.00 N ATOM 414 CA ILE A 28 10.626 2.308 -3.935 1.00 0.00 C ATOM 415 C ILE A 28 11.143 3.673 -3.432 1.00 0.00 C ATOM 416 O ILE A 28 11.565 3.765 -2.274 1.00 0.00 O ATOM 417 CB ILE A 28 9.468 1.766 -3.064 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.055 0.311 -3.407 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.256 2.702 -3.240 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.172 -0.334 -2.332 1.00 0.00 C ATOM 0 H ILE A 28 12.034 0.990 -3.116 1.00 0.00 H new ATOM 0 HA ILE A 28 10.221 2.460 -4.935 1.00 0.00 H new ATOM 0 HB ILE A 28 9.817 1.744 -2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.522 0.306 -4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.952 -0.293 -3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.425 2.340 -2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.525 3.709 -2.922 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.959 2.720 -4.289 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.918 -1.351 -2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.711 -0.359 -1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.258 0.249 -2.214 1.00 0.00 H new ATOM 432 N PRO A 29 11.123 4.741 -4.257 1.00 0.00 N ATOM 433 CA PRO A 29 11.659 6.054 -3.890 1.00 0.00 C ATOM 434 C PRO A 29 10.765 6.815 -2.898 1.00 0.00 C ATOM 435 O PRO A 29 9.556 6.583 -2.821 1.00 0.00 O ATOM 436 CB PRO A 29 11.811 6.809 -5.215 1.00 0.00 C ATOM 437 CG PRO A 29 10.682 6.235 -6.070 1.00 0.00 C ATOM 438 CD PRO A 29 10.624 4.774 -5.627 1.00 0.00 C ATOM 0 HA PRO A 29 12.608 5.952 -3.364 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.707 7.886 -5.080 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.787 6.637 -5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.738 6.749 -5.890 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.896 6.326 -7.135 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.604 4.392 -5.679 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.233 4.146 -6.278 1.00 0.00 H new ATOM 446 N LYS A 30 11.353 7.768 -2.164 1.00 0.00 N ATOM 447 CA LYS A 30 10.612 8.734 -1.329 1.00 0.00 C ATOM 448 C LYS A 30 9.736 9.683 -2.160 1.00 0.00 C ATOM 449 O LYS A 30 9.958 9.856 -3.360 1.00 0.00 O ATOM 450 CB LYS A 30 11.542 9.468 -0.361 1.00 0.00 C ATOM 451 CG LYS A 30 12.568 10.347 -1.072 1.00 0.00 C ATOM 452 CD LYS A 30 13.538 10.957 -0.056 1.00 0.00 C ATOM 453 CE LYS A 30 14.778 11.439 -0.802 1.00 0.00 C ATOM 454 NZ LYS A 30 14.560 12.730 -1.510 1.00 0.00 N ATOM 0 H LYS A 30 12.364 7.895 -2.130 1.00 0.00 H new ATOM 0 HA LYS A 30 9.915 8.161 -0.717 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.945 10.086 0.310 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.064 8.738 0.258 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.120 9.756 -1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.060 11.139 -1.622 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.065 11.787 0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.812 10.218 0.697 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.600 11.552 -0.096 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.080 10.680 -1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.434 13.010 -1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.794 12.620 -2.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.299 13.464 -0.821 1.00 0.00 H new ATOM 468 N ASP A 31 8.747 10.304 -1.514 1.00 0.00 N ATOM 469 CA ASP A 31 7.733 11.168 -2.145 1.00 0.00 C ATOM 470 C ASP A 31 6.957 10.474 -3.294 1.00 0.00 C ATOM 471 O ASP A 31 6.643 11.070 -4.328 1.00 0.00 O ATOM 472 CB ASP A 31 8.345 12.539 -2.498 1.00 0.00 C ATOM 473 CG ASP A 31 7.288 13.603 -2.853 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.265 13.713 -2.134 1.00 0.00 O ATOM 475 OD2 ASP A 31 7.504 14.376 -3.819 1.00 0.00 O ATOM 0 H ASP A 31 8.621 10.220 -0.505 1.00 0.00 H new ATOM 0 HA ASP A 31 6.947 11.363 -1.416 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.938 12.893 -1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.027 12.419 -3.340 1.00 0.00 H new ATOM 480 N SER A 32 6.649 9.188 -3.097 1.00 0.00 N ATOM 481 CA SER A 32 5.775 8.349 -3.928 1.00 0.00 C ATOM 482 C SER A 32 4.625 7.788 -3.080 1.00 0.00 C ATOM 483 O SER A 32 4.642 7.913 -1.852 1.00 0.00 O ATOM 484 CB SER A 32 6.585 7.214 -4.577 1.00 0.00 C ATOM 485 OG SER A 32 6.984 6.250 -3.619 1.00 0.00 O ATOM 0 H SER A 32 7.027 8.671 -2.303 1.00 0.00 H new ATOM 0 HA SER A 32 5.349 8.958 -4.725 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.986 6.734 -5.351 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.466 7.628 -5.067 1.00 0.00 H new ATOM 0 HG SER A 32 7.906 6.429 -3.340 1.00 0.00 H new ATOM 491 N LEU A 33 3.627 7.160 -3.706 1.00 0.00 N ATOM 492 CA LEU A 33 2.578 6.413 -3.005 1.00 0.00 C ATOM 493 C LEU A 33 2.947 4.924 -2.992 1.00 0.00 C ATOM 494 O LEU A 33 3.171 4.337 -4.055 1.00 0.00 O ATOM 495 CB LEU A 33 1.222 6.685 -3.685 1.00 0.00 C ATOM 496 CG LEU A 33 0.027 6.002 -2.993 1.00 0.00 C ATOM 497 CD1 LEU A 33 -0.304 6.628 -1.640 1.00 0.00 C ATOM 498 CD2 LEU A 33 -1.219 6.114 -3.868 1.00 0.00 C ATOM 0 H LEU A 33 3.523 7.155 -4.721 1.00 0.00 H new ATOM 0 HA LEU A 33 2.491 6.737 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.048 7.761 -3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.272 6.347 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 33 0.316 4.962 -2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.153 6.108 -1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.559 6.543 -0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.554 7.680 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.058 5.628 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.454 7.165 -4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.035 5.628 -4.826 1.00 0.00 H new ATOM 510 N ARG A 34 2.989 4.300 -1.812 1.00 0.00 N ATOM 511 CA ARG A 34 3.389 2.893 -1.641 1.00 0.00 C ATOM 512 C ARG A 34 2.531 2.170 -0.611 1.00 0.00 C ATOM 513 O ARG A 34 2.006 2.791 0.311 1.00 0.00 O ATOM 514 CB ARG A 34 4.897 2.802 -1.352 1.00 0.00 C ATOM 515 CG ARG A 34 5.373 3.425 -0.027 1.00 0.00 C ATOM 516 CD ARG A 34 6.894 3.243 0.084 1.00 0.00 C ATOM 517 NE ARG A 34 7.440 3.758 1.352 1.00 0.00 N ATOM 518 CZ ARG A 34 8.704 4.016 1.622 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.658 3.921 0.739 1.00 0.00 N ATOM 520 NH2 ARG A 34 9.026 4.411 2.813 1.00 0.00 N ATOM 0 H ARG A 34 2.744 4.760 -0.935 1.00 0.00 H new ATOM 0 HA ARG A 34 3.207 2.365 -2.577 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.185 1.751 -1.359 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.432 3.285 -2.170 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.116 4.484 0.007 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.873 2.948 0.816 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.136 2.184 -0.007 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.378 3.753 -0.749 1.00 0.00 H new ATOM 0 HE ARG A 34 6.769 3.933 2.100 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.442 3.635 -0.216 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.620 4.133 1.003 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.305 4.519 3.527 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.000 4.614 3.037 1.00 0.00 H new ATOM 534 N MET A 35 2.390 0.861 -0.783 1.00 0.00 N ATOM 535 CA MET A 35 1.575 -0.035 0.041 1.00 0.00 C ATOM 536 C MET A 35 2.418 -1.159 0.632 1.00 0.00 C ATOM 537 O MET A 35 3.507 -1.446 0.146 1.00 0.00 O ATOM 538 CB MET A 35 0.385 -0.593 -0.760 1.00 0.00 C ATOM 539 CG MET A 35 -0.700 0.462 -0.984 1.00 0.00 C ATOM 540 SD MET A 35 -2.210 -0.099 -1.822 1.00 0.00 S ATOM 541 CE MET A 35 -3.054 -0.948 -0.459 1.00 0.00 C ATOM 0 H MET A 35 2.864 0.367 -1.539 1.00 0.00 H new ATOM 0 HA MET A 35 1.174 0.548 0.870 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.737 -0.961 -1.724 1.00 0.00 H new ATOM 0 HB3 MET A 35 -0.041 -1.445 -0.230 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.980 0.875 -0.015 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.269 1.277 -1.565 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.877 -1.542 -0.855 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.349 -1.601 0.055 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.444 -0.211 0.243 1.00 0.00 H new ATOM 551 N ALA A 36 1.935 -1.779 1.701 1.00 0.00 N ATOM 552 CA ALA A 36 2.594 -2.899 2.354 1.00 0.00 C ATOM 553 C ALA A 36 1.596 -3.931 2.888 1.00 0.00 C ATOM 554 O ALA A 36 0.403 -3.644 3.014 1.00 0.00 O ATOM 555 CB ALA A 36 3.499 -2.360 3.460 1.00 0.00 C ATOM 0 H ALA A 36 1.057 -1.511 2.146 1.00 0.00 H new ATOM 0 HA ALA A 36 3.198 -3.429 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.999 -3.191 3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.245 -1.694 3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.899 -1.810 4.185 1.00 0.00 H new ATOM 561 N ILE A 37 2.094 -5.121 3.234 1.00 0.00 N ATOM 562 CA ILE A 37 1.305 -6.217 3.804 1.00 0.00 C ATOM 563 C ILE A 37 1.899 -6.670 5.129 1.00 0.00 C ATOM 564 O ILE A 37 3.113 -6.806 5.250 1.00 0.00 O ATOM 565 CB ILE A 37 1.183 -7.355 2.767 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.144 -7.151 2.016 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.275 -8.767 3.361 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.258 -7.963 0.725 1.00 0.00 C ATOM 0 H ILE A 37 3.081 -5.355 3.123 1.00 0.00 H new ATOM 0 HA ILE A 37 0.295 -5.876 4.029 1.00 0.00 H new ATOM 0 HB ILE A 37 2.038 -7.295 2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.969 -7.420 2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.257 -6.093 1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.180 -9.504 2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.238 -8.891 3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.473 -8.910 4.085 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.221 -7.765 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.544 -7.678 0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.179 -9.025 0.955 1.00 0.00 H new ATOM 580 N MET A 38 1.042 -6.943 6.109 1.00 0.00 N ATOM 581 CA MET A 38 1.444 -7.462 7.410 1.00 0.00 C ATOM 582 C MET A 38 1.498 -8.992 7.402 1.00 0.00 C ATOM 583 O MET A 38 0.474 -9.655 7.219 1.00 0.00 O ATOM 584 CB MET A 38 0.491 -6.907 8.483 1.00 0.00 C ATOM 585 CG MET A 38 1.118 -6.801 9.876 1.00 0.00 C ATOM 586 SD MET A 38 1.932 -5.222 10.253 1.00 0.00 S ATOM 587 CE MET A 38 3.272 -5.230 9.041 1.00 0.00 C ATOM 0 H MET A 38 0.035 -6.808 6.019 1.00 0.00 H new ATOM 0 HA MET A 38 2.455 -7.130 7.646 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.147 -5.920 8.174 1.00 0.00 H new ATOM 0 HB3 MET A 38 -0.389 -7.548 8.539 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.340 -6.974 10.619 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.849 -7.602 9.987 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.045 -4.525 9.348 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.698 -6.231 8.977 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.882 -4.938 8.066 1.00 0.00 H new ATOM 597 N VAL A 39 2.689 -9.555 7.623 1.00 0.00 N ATOM 598 CA VAL A 39 2.899 -11.013 7.717 1.00 0.00 C ATOM 599 C VAL A 39 3.791 -11.390 8.899 1.00 0.00 C ATOM 600 O VAL A 39 4.747 -10.690 9.224 1.00 0.00 O ATOM 601 CB VAL A 39 3.414 -11.587 6.381 1.00 0.00 C ATOM 602 CG1 VAL A 39 4.787 -11.046 5.977 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.460 -13.120 6.370 1.00 0.00 C ATOM 0 H VAL A 39 3.545 -9.013 7.743 1.00 0.00 H new ATOM 0 HA VAL A 39 1.931 -11.474 7.912 1.00 0.00 H new ATOM 0 HB VAL A 39 2.682 -11.249 5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.089 -11.491 5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.734 -9.963 5.869 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.518 -11.299 6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.830 -13.466 5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.125 -13.470 7.160 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.458 -13.515 6.537 1.00 0.00 H new ATOM 613 N GLN A 40 3.470 -12.504 9.553 1.00 0.00 N ATOM 614 CA GLN A 40 4.254 -13.086 10.648 1.00 0.00 C ATOM 615 C GLN A 40 5.577 -13.678 10.132 1.00 0.00 C ATOM 616 O GLN A 40 5.597 -14.466 9.183 1.00 0.00 O ATOM 617 CB GLN A 40 3.412 -14.107 11.438 1.00 0.00 C ATOM 618 CG GLN A 40 2.452 -14.948 10.575 1.00 0.00 C ATOM 619 CD GLN A 40 1.821 -16.088 11.372 1.00 0.00 C ATOM 620 OE1 GLN A 40 0.713 -15.989 11.885 1.00 0.00 O ATOM 621 NE2 GLN A 40 2.496 -17.210 11.521 1.00 0.00 N ATOM 0 H GLN A 40 2.634 -13.045 9.332 1.00 0.00 H new ATOM 0 HA GLN A 40 4.524 -12.291 11.343 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.085 -14.779 11.971 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.831 -13.575 12.191 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.667 -14.306 10.175 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.994 -15.357 9.723 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.420 -17.309 11.100 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.094 -17.979 12.057 1.00 0.00 H new ATOM 630 N SER A 41 6.691 -13.280 10.748 1.00 0.00 N ATOM 631 CA SER A 41 8.054 -13.523 10.268 1.00 0.00 C ATOM 632 C SER A 41 8.702 -14.789 10.834 1.00 0.00 C ATOM 633 O SER A 41 8.584 -15.061 12.032 1.00 0.00 O ATOM 634 CB SER A 41 8.940 -12.305 10.562 1.00 0.00 C ATOM 635 OG SER A 41 8.672 -11.773 11.845 1.00 0.00 O ATOM 0 H SER A 41 6.669 -12.761 11.626 1.00 0.00 H new ATOM 0 HA SER A 41 7.969 -13.683 9.193 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.990 -12.592 10.497 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.771 -11.539 9.806 1.00 0.00 H new ATOM 0 HG SER A 41 9.072 -12.350 12.529 1.00 0.00 H new ATOM 641 N PRO A 42 9.470 -15.528 10.007 1.00 0.00 N ATOM 642 CA PRO A 42 10.328 -16.610 10.475 1.00 0.00 C ATOM 643 C PRO A 42 11.696 -16.111 10.991 1.00 0.00 C ATOM 644 O PRO A 42 12.339 -16.796 11.788 1.00 0.00 O ATOM 645 CB PRO A 42 10.465 -17.543 9.268 1.00 0.00 C ATOM 646 CG PRO A 42 10.401 -16.589 8.076 1.00 0.00 C ATOM 647 CD PRO A 42 9.439 -15.499 8.550 1.00 0.00 C ATOM 0 HA PRO A 42 9.898 -17.118 11.338 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.405 -18.095 9.291 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.663 -18.280 9.237 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.383 -16.182 7.833 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.033 -17.089 7.180 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.744 -14.522 8.174 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.431 -15.683 8.179 1.00 0.00 H new ATOM 655 N MET A 43 12.140 -14.920 10.555 1.00 0.00 N ATOM 656 CA MET A 43 13.441 -14.312 10.904 1.00 0.00 C ATOM 657 C MET A 43 13.384 -13.263 12.032 1.00 0.00 C ATOM 658 O MET A 43 14.427 -12.835 12.531 1.00 0.00 O ATOM 659 CB MET A 43 14.096 -13.725 9.648 1.00 0.00 C ATOM 660 CG MET A 43 13.359 -12.492 9.098 1.00 0.00 C ATOM 661 SD MET A 43 13.552 -12.243 7.314 1.00 0.00 S ATOM 662 CE MET A 43 12.555 -13.649 6.749 1.00 0.00 C ATOM 0 H MET A 43 11.588 -14.333 9.930 1.00 0.00 H new ATOM 0 HA MET A 43 14.050 -15.122 11.306 1.00 0.00 H new ATOM 0 HB2 MET A 43 15.126 -13.452 9.878 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.135 -14.492 8.874 1.00 0.00 H new ATOM 0 HG2 MET A 43 12.297 -12.585 9.327 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.721 -11.605 9.618 1.00 0.00 H new ATOM 0 HE1 MET A 43 11.977 -13.356 5.872 1.00 0.00 H new ATOM 0 HE2 MET A 43 13.211 -14.480 6.490 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.876 -13.957 7.545 1.00 0.00 H new ATOM 672 N PHE A 44 12.179 -12.829 12.416 1.00 0.00 N ATOM 673 CA PHE A 44 11.922 -11.780 13.411 1.00 0.00 C ATOM 674 C PHE A 44 10.794 -12.181 14.384 1.00 0.00 C ATOM 675 O PHE A 44 9.955 -13.029 14.076 1.00 0.00 O ATOM 676 CB PHE A 44 11.672 -10.442 12.689 1.00 0.00 C ATOM 677 CG PHE A 44 11.229 -9.302 13.590 1.00 0.00 C ATOM 678 CD1 PHE A 44 12.172 -8.624 14.385 1.00 0.00 C ATOM 679 CD2 PHE A 44 9.867 -8.951 13.671 1.00 0.00 C ATOM 680 CE1 PHE A 44 11.756 -7.601 15.256 1.00 0.00 C ATOM 681 CE2 PHE A 44 9.451 -7.926 14.539 1.00 0.00 C ATOM 682 CZ PHE A 44 10.396 -7.252 15.334 1.00 0.00 C ATOM 0 H PHE A 44 11.319 -13.215 12.026 1.00 0.00 H new ATOM 0 HA PHE A 44 12.801 -11.650 14.042 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.587 -10.146 12.176 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.913 -10.596 11.922 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.217 -8.890 14.326 1.00 0.00 H new ATOM 0 HD2 PHE A 44 9.140 -9.471 13.064 1.00 0.00 H new ATOM 0 HE1 PHE A 44 12.482 -7.083 15.865 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.407 -7.656 14.595 1.00 0.00 H new ATOM 0 HZ PHE A 44 10.077 -6.467 16.004 1.00 0.00 H new ATOM 692 N ASP A 45 10.782 -11.589 15.579 1.00 0.00 N ATOM 693 CA ASP A 45 9.959 -12.001 16.728 1.00 0.00 C ATOM 694 C ASP A 45 8.586 -11.292 16.767 1.00 0.00 C ATOM 695 O ASP A 45 8.218 -10.638 17.748 1.00 0.00 O ATOM 696 CB ASP A 45 10.787 -11.842 18.017 1.00 0.00 C ATOM 697 CG ASP A 45 10.097 -12.442 19.258 1.00 0.00 C ATOM 698 OD1 ASP A 45 9.492 -13.537 19.157 1.00 0.00 O ATOM 699 OD2 ASP A 45 10.204 -11.846 20.357 1.00 0.00 O ATOM 0 H ASP A 45 11.366 -10.778 15.786 1.00 0.00 H new ATOM 0 HA ASP A 45 9.698 -13.054 16.626 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.756 -12.322 17.880 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.977 -10.783 18.191 1.00 0.00 H new ATOM 704 N GLY A 46 7.836 -11.384 15.667 1.00 0.00 N ATOM 705 CA GLY A 46 6.529 -10.741 15.492 1.00 0.00 C ATOM 706 C GLY A 46 6.074 -10.747 14.037 1.00 0.00 C ATOM 707 O GLY A 46 6.084 -11.795 13.384 1.00 0.00 O ATOM 0 H GLY A 46 8.127 -11.922 14.851 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.788 -11.255 16.105 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.581 -9.713 15.850 1.00 0.00 H new ATOM 711 N LYS A 47 5.647 -9.579 13.538 1.00 0.00 N ATOM 712 CA LYS A 47 5.186 -9.379 12.155 1.00 0.00 C ATOM 713 C LYS A 47 5.922 -8.228 11.468 1.00 0.00 C ATOM 714 O LYS A 47 6.372 -7.286 12.121 1.00 0.00 O ATOM 715 CB LYS A 47 3.658 -9.200 12.101 1.00 0.00 C ATOM 716 CG LYS A 47 2.910 -10.265 12.930 1.00 0.00 C ATOM 717 CD LYS A 47 1.594 -10.734 12.311 1.00 0.00 C ATOM 718 CE LYS A 47 0.555 -9.631 12.085 1.00 0.00 C ATOM 719 NZ LYS A 47 0.009 -9.078 13.354 1.00 0.00 N ATOM 0 H LYS A 47 5.611 -8.726 14.097 1.00 0.00 H new ATOM 0 HA LYS A 47 5.430 -10.281 11.594 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.398 -8.208 12.470 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.326 -9.251 11.064 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.562 -11.128 13.065 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.708 -9.860 13.922 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.809 -11.211 11.355 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.158 -11.496 12.956 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.009 -8.824 11.509 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.264 -10.028 11.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.771 -8.424 13.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.344 -9.855 13.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.760 -8.568 13.862 1.00 0.00 H new ATOM 733 N VAL A 48 6.041 -8.323 10.145 1.00 0.00 N ATOM 734 CA VAL A 48 6.885 -7.470 9.293 1.00 0.00 C ATOM 735 C VAL A 48 6.119 -6.955 8.061 1.00 0.00 C ATOM 736 O VAL A 48 5.265 -7.680 7.540 1.00 0.00 O ATOM 737 CB VAL A 48 8.163 -8.219 8.859 1.00 0.00 C ATOM 738 CG1 VAL A 48 9.050 -8.541 10.072 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.875 -9.526 8.105 1.00 0.00 C ATOM 0 H VAL A 48 5.532 -9.026 9.609 1.00 0.00 H new ATOM 0 HA VAL A 48 7.173 -6.604 9.889 1.00 0.00 H new ATOM 0 HB VAL A 48 8.678 -7.543 8.177 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.944 -9.069 9.739 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.339 -7.614 10.568 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.497 -9.169 10.771 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.816 -10.002 7.829 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.303 -10.197 8.746 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.301 -9.308 7.204 1.00 0.00 H new ATOM 749 N PRO A 49 6.381 -5.719 7.589 1.00 0.00 N ATOM 750 CA PRO A 49 5.710 -5.150 6.422 1.00 0.00 C ATOM 751 C PRO A 49 6.389 -5.563 5.104 1.00 0.00 C ATOM 752 O PRO A 49 7.591 -5.359 4.916 1.00 0.00 O ATOM 753 CB PRO A 49 5.756 -3.633 6.634 1.00 0.00 C ATOM 754 CG PRO A 49 7.061 -3.426 7.402 1.00 0.00 C ATOM 755 CD PRO A 49 7.190 -4.696 8.246 1.00 0.00 C ATOM 0 HA PRO A 49 4.687 -5.515 6.333 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.757 -3.094 5.687 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.895 -3.280 7.201 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.908 -3.306 6.727 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.021 -2.533 8.026 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.231 -5.011 8.315 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.842 -4.521 9.264 1.00 0.00 H new ATOM 763 N HIS A 50 5.621 -6.113 4.160 1.00 0.00 N ATOM 764 CA HIS A 50 6.067 -6.412 2.792 1.00 0.00 C ATOM 765 C HIS A 50 5.662 -5.272 1.873 1.00 0.00 C ATOM 766 O HIS A 50 4.502 -5.201 1.493 1.00 0.00 O ATOM 767 CB HIS A 50 5.494 -7.763 2.324 1.00 0.00 C ATOM 768 CG HIS A 50 6.222 -8.965 2.876 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.292 -10.222 2.271 1.00 0.00 N ATOM 770 CD2 HIS A 50 6.937 -8.995 4.035 1.00 0.00 C ATOM 771 CE1 HIS A 50 7.049 -10.979 3.084 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.461 -10.264 4.145 1.00 0.00 N ATOM 0 H HIS A 50 4.648 -6.370 4.327 1.00 0.00 H new ATOM 0 HA HIS A 50 7.153 -6.500 2.766 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.445 -7.821 2.615 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.525 -7.801 1.235 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.068 -8.181 4.733 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.292 -12.017 2.909 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.058 -10.602 4.900 1.00 0.00 H new ATOM 780 N TRP A 51 6.592 -4.365 1.570 1.00 0.00 N ATOM 781 CA TRP A 51 6.341 -3.151 0.789 1.00 0.00 C ATOM 782 C TRP A 51 6.266 -3.413 -0.721 1.00 0.00 C ATOM 783 O TRP A 51 7.009 -4.215 -1.275 1.00 0.00 O ATOM 784 CB TRP A 51 7.439 -2.119 1.064 1.00 0.00 C ATOM 785 CG TRP A 51 7.438 -1.517 2.433 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.230 -1.883 3.465 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.611 -0.422 2.931 1.00 0.00 C ATOM 788 NE1 TRP A 51 7.946 -1.099 4.567 1.00 0.00 N ATOM 789 CE2 TRP A 51 6.936 -0.199 4.302 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.592 0.378 2.369 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.277 0.764 5.081 1.00 0.00 C ATOM 792 CZ3 TRP A 51 4.895 1.315 3.155 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.245 1.521 4.503 1.00 0.00 C ATOM 0 H TRP A 51 7.563 -4.456 1.867 1.00 0.00 H new ATOM 0 HA TRP A 51 5.368 -2.774 1.104 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.406 -2.592 0.896 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.347 -1.315 0.334 1.00 0.00 H new ATOM 0 HD1 TRP A 51 8.971 -2.668 3.433 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.424 -1.177 5.465 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.344 0.270 1.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 6.560 0.921 6.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.084 1.881 2.720 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.721 2.260 5.091 1.00 0.00 H new ATOM 804 N TYR A 52 5.414 -2.675 -1.416 1.00 0.00 N ATOM 805 CA TYR A 52 5.313 -2.673 -2.869 1.00 0.00 C ATOM 806 C TYR A 52 4.941 -1.260 -3.358 1.00 0.00 C ATOM 807 O TYR A 52 4.383 -0.455 -2.601 1.00 0.00 O ATOM 808 CB TYR A 52 4.296 -3.728 -3.350 1.00 0.00 C ATOM 809 CG TYR A 52 4.187 -5.057 -2.614 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.372 -5.196 -1.470 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.829 -6.187 -3.149 1.00 0.00 C ATOM 812 CE1 TYR A 52 3.202 -6.463 -0.868 1.00 0.00 C ATOM 813 CE2 TYR A 52 4.647 -7.454 -2.564 1.00 0.00 C ATOM 814 CZ TYR A 52 3.844 -7.593 -1.415 1.00 0.00 C ATOM 815 OH TYR A 52 3.681 -8.824 -0.855 1.00 0.00 O ATOM 0 H TYR A 52 4.752 -2.040 -0.970 1.00 0.00 H new ATOM 0 HA TYR A 52 6.279 -2.942 -3.297 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.310 -3.263 -3.332 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.524 -3.950 -4.392 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.877 -4.331 -1.054 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.466 -6.082 -4.015 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.581 -6.566 0.010 1.00 0.00 H new ATOM 0 HE2 TYR A 52 5.124 -8.321 -2.997 1.00 0.00 H new ATOM 0 HH TYR A 52 4.196 -9.485 -1.363 1.00 0.00 H new ATOM 825 N HIS A 53 5.207 -0.945 -4.630 1.00 0.00 N ATOM 826 CA HIS A 53 4.603 0.237 -5.279 1.00 0.00 C ATOM 827 C HIS A 53 3.066 0.180 -5.154 1.00 0.00 C ATOM 828 O HIS A 53 2.503 -0.914 -5.055 1.00 0.00 O ATOM 829 CB HIS A 53 4.983 0.322 -6.769 1.00 0.00 C ATOM 830 CG HIS A 53 6.461 0.385 -7.082 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.252 -0.628 -7.636 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.237 1.498 -6.928 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.478 -0.103 -7.794 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.498 1.173 -7.377 1.00 0.00 N ATOM 0 H HIS A 53 5.831 -1.483 -5.231 1.00 0.00 H new ATOM 0 HA HIS A 53 4.988 1.122 -4.773 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.562 -0.544 -7.279 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.506 1.205 -7.194 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.922 2.451 -6.530 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.328 -0.632 -8.199 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.307 1.794 -7.390 1.00 0.00 H new ATOM 842 N PHE A 54 2.372 1.327 -5.203 1.00 0.00 N ATOM 843 CA PHE A 54 0.905 1.363 -5.065 1.00 0.00 C ATOM 844 C PHE A 54 0.191 0.365 -5.997 1.00 0.00 C ATOM 845 O PHE A 54 -0.683 -0.375 -5.552 1.00 0.00 O ATOM 846 CB PHE A 54 0.368 2.778 -5.331 1.00 0.00 C ATOM 847 CG PHE A 54 -1.148 2.819 -5.453 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.951 2.457 -4.355 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.756 3.105 -6.693 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.344 2.343 -4.503 1.00 0.00 C ATOM 851 CE2 PHE A 54 -3.155 3.021 -6.829 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.946 2.630 -5.737 1.00 0.00 C ATOM 0 H PHE A 54 2.801 2.243 -5.337 1.00 0.00 H new ATOM 0 HA PHE A 54 0.690 1.070 -4.037 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.681 3.439 -4.522 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.813 3.164 -6.248 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.495 2.266 -3.395 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.148 3.389 -7.539 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.952 2.034 -3.665 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.620 3.258 -7.775 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.017 2.550 -5.847 1.00 0.00 H new ATOM 862 N SER A 55 0.589 0.303 -7.273 1.00 0.00 N ATOM 863 CA SER A 55 -0.041 -0.559 -8.279 1.00 0.00 C ATOM 864 C SER A 55 0.334 -2.030 -8.086 1.00 0.00 C ATOM 865 O SER A 55 -0.474 -2.917 -8.360 1.00 0.00 O ATOM 866 CB SER A 55 0.355 -0.103 -9.689 1.00 0.00 C ATOM 867 OG SER A 55 0.093 1.284 -9.847 1.00 0.00 O ATOM 0 H SER A 55 1.365 0.855 -7.639 1.00 0.00 H new ATOM 0 HA SER A 55 -1.120 -0.471 -8.155 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.413 -0.303 -9.860 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.201 -0.673 -10.433 1.00 0.00 H new ATOM 0 HG SER A 55 0.351 1.565 -10.750 1.00 0.00 H new ATOM 873 N CYS A 56 1.546 -2.297 -7.587 1.00 0.00 N ATOM 874 CA CYS A 56 2.091 -3.635 -7.419 1.00 0.00 C ATOM 875 C CYS A 56 1.374 -4.460 -6.333 1.00 0.00 C ATOM 876 O CYS A 56 1.181 -5.659 -6.516 1.00 0.00 O ATOM 877 CB CYS A 56 3.593 -3.532 -7.151 1.00 0.00 C ATOM 878 SG CYS A 56 4.519 -2.900 -8.601 1.00 0.00 S ATOM 0 H CYS A 56 2.187 -1.564 -7.283 1.00 0.00 H new ATOM 0 HA CYS A 56 1.919 -4.183 -8.346 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.763 -2.873 -6.299 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.979 -4.514 -6.877 1.00 0.00 H new ATOM 883 N PHE A 57 0.921 -3.832 -5.242 1.00 0.00 N ATOM 884 CA PHE A 57 0.070 -4.442 -4.207 1.00 0.00 C ATOM 885 C PHE A 57 -1.117 -5.204 -4.824 1.00 0.00 C ATOM 886 O PHE A 57 -1.405 -6.345 -4.459 1.00 0.00 O ATOM 887 CB PHE A 57 -0.427 -3.334 -3.268 1.00 0.00 C ATOM 888 CG PHE A 57 -1.449 -3.792 -2.241 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.801 -3.923 -2.613 1.00 0.00 C ATOM 890 CD2 PHE A 57 -1.062 -4.093 -0.921 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.753 -4.387 -1.693 1.00 0.00 C ATOM 892 CE2 PHE A 57 -2.028 -4.505 0.016 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.369 -4.668 -0.374 1.00 0.00 C ATOM 0 H PHE A 57 1.142 -2.856 -5.047 1.00 0.00 H new ATOM 0 HA PHE A 57 0.657 -5.171 -3.648 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.429 -2.907 -2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.865 -2.536 -3.868 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.108 -3.664 -3.616 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.026 -4.008 -0.628 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.779 -4.527 -2.000 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.738 -4.697 1.039 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.102 -5.009 0.342 1.00 0.00 H new ATOM 903 N TRP A 58 -1.776 -4.596 -5.813 1.00 0.00 N ATOM 904 CA TRP A 58 -2.941 -5.169 -6.488 1.00 0.00 C ATOM 905 C TRP A 58 -2.558 -6.278 -7.484 1.00 0.00 C ATOM 906 O TRP A 58 -3.355 -7.187 -7.716 1.00 0.00 O ATOM 907 CB TRP A 58 -3.729 -4.034 -7.148 1.00 0.00 C ATOM 908 CG TRP A 58 -4.054 -2.877 -6.246 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.338 -1.735 -6.203 1.00 0.00 C ATOM 910 CD2 TRP A 58 -5.088 -2.727 -5.214 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.819 -0.902 -5.218 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.898 -1.461 -4.572 1.00 0.00 C ATOM 913 CE3 TRP A 58 -6.160 -3.523 -4.743 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.712 -1.017 -3.522 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.990 -3.078 -3.699 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.762 -1.834 -3.087 1.00 0.00 C ATOM 0 H TRP A 58 -1.511 -3.679 -6.172 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.575 -5.662 -5.751 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.158 -3.662 -7.999 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.660 -4.440 -7.542 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.504 -1.506 -6.850 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.426 0.013 -4.995 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.343 -4.488 -5.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.532 -0.060 -3.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.809 -3.697 -3.365 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.399 -1.507 -2.278 1.00 0.00 H new ATOM 927 N LYS A 59 -1.311 -6.286 -7.989 1.00 0.00 N ATOM 928 CA LYS A 59 -0.731 -7.414 -8.751 1.00 0.00 C ATOM 929 C LYS A 59 -0.499 -8.645 -7.866 1.00 0.00 C ATOM 930 O LYS A 59 -0.511 -9.764 -8.377 1.00 0.00 O ATOM 931 CB LYS A 59 0.592 -7.037 -9.432 1.00 0.00 C ATOM 932 CG LYS A 59 0.466 -5.827 -10.357 1.00 0.00 C ATOM 933 CD LYS A 59 1.849 -5.361 -10.824 1.00 0.00 C ATOM 934 CE LYS A 59 1.699 -3.910 -11.271 1.00 0.00 C ATOM 935 NZ LYS A 59 3.001 -3.199 -11.299 1.00 0.00 N ATOM 0 H LYS A 59 -0.668 -5.502 -7.880 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.466 -7.657 -9.518 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.340 -6.826 -8.668 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.954 -7.890 -10.006 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.148 -6.084 -11.220 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.041 -5.015 -9.836 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.577 -5.443 -10.017 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.210 -5.982 -11.644 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.249 -3.881 -12.263 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.017 -3.392 -10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.870 -2.250 -11.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.371 -3.114 -10.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.676 -3.734 -11.882 1.00 0.00 H new ATOM 949 N VAL A 60 -0.308 -8.465 -6.550 1.00 0.00 N ATOM 950 CA VAL A 60 -0.264 -9.592 -5.583 1.00 0.00 C ATOM 951 C VAL A 60 -1.651 -10.249 -5.406 1.00 0.00 C ATOM 952 O VAL A 60 -1.748 -11.385 -4.941 1.00 0.00 O ATOM 953 CB VAL A 60 0.336 -9.176 -4.215 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.788 -10.386 -3.382 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.578 -8.290 -4.347 1.00 0.00 C ATOM 0 H VAL A 60 -0.180 -7.548 -6.122 1.00 0.00 H new ATOM 0 HA VAL A 60 0.406 -10.338 -6.012 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.478 -8.635 -3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.201 -10.041 -2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.066 -11.036 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.551 -10.940 -3.929 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.949 -8.034 -3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.351 -8.827 -4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.319 -7.378 -4.884 1.00 0.00 H new ATOM 965 N GLY A 61 -2.733 -9.582 -5.831 1.00 0.00 N ATOM 966 CA GLY A 61 -4.091 -10.141 -5.881 1.00 0.00 C ATOM 967 C GLY A 61 -4.891 -10.039 -4.575 1.00 0.00 C ATOM 968 O GLY A 61 -5.908 -10.723 -4.428 1.00 0.00 O ATOM 0 H GLY A 61 -2.687 -8.617 -6.157 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.647 -9.632 -6.669 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.024 -11.191 -6.165 1.00 0.00 H new ATOM 972 N HIS A 62 -4.454 -9.206 -3.623 1.00 0.00 N ATOM 973 CA HIS A 62 -5.192 -8.919 -2.384 1.00 0.00 C ATOM 974 C HIS A 62 -6.351 -7.937 -2.616 1.00 0.00 C ATOM 975 O HIS A 62 -6.278 -7.062 -3.484 1.00 0.00 O ATOM 976 CB HIS A 62 -4.229 -8.432 -1.292 1.00 0.00 C ATOM 977 CG HIS A 62 -3.397 -9.556 -0.721 1.00 0.00 C ATOM 978 ND1 HIS A 62 -3.737 -10.335 0.390 1.00 0.00 N ATOM 979 CD2 HIS A 62 -2.225 -10.020 -1.239 1.00 0.00 C ATOM 980 CE1 HIS A 62 -2.752 -11.241 0.520 1.00 0.00 C ATOM 981 NE2 HIS A 62 -1.833 -11.077 -0.446 1.00 0.00 N ATOM 0 H HIS A 62 -3.568 -8.706 -3.691 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.649 -9.847 -2.040 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.570 -7.669 -1.705 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.799 -7.961 -0.491 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.704 -9.634 -2.103 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.706 -11.995 1.292 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.990 -11.638 -0.571 1.00 0.00 H new ATOM 989 N SER A 63 -7.415 -8.084 -1.819 1.00 0.00 N ATOM 990 CA SER A 63 -8.673 -7.327 -1.929 1.00 0.00 C ATOM 991 C SER A 63 -9.086 -6.728 -0.585 1.00 0.00 C ATOM 992 O SER A 63 -8.796 -7.283 0.477 1.00 0.00 O ATOM 993 CB SER A 63 -9.803 -8.216 -2.470 1.00 0.00 C ATOM 994 OG SER A 63 -9.512 -8.657 -3.787 1.00 0.00 O ATOM 0 H SER A 63 -7.427 -8.756 -1.052 1.00 0.00 H new ATOM 0 HA SER A 63 -8.497 -6.511 -2.630 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.939 -9.077 -1.815 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.741 -7.661 -2.467 1.00 0.00 H new ATOM 0 HG SER A 63 -10.243 -9.223 -4.112 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.756 -5.576 -0.634 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.992 -4.698 0.518 1.00 0.00 C ATOM 1002 C ILE A 64 -11.454 -4.230 0.490 1.00 0.00 C ATOM 1003 O ILE A 64 -11.970 -3.876 -0.573 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.996 -3.509 0.508 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.579 -3.872 -0.003 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.930 -2.899 1.913 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.532 -2.764 0.156 1.00 0.00 C ATOM 0 H ILE A 64 -10.161 -5.216 -1.498 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.821 -5.241 1.447 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.377 -2.781 -0.208 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.233 -4.758 0.529 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.646 -4.139 -1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.232 -2.062 1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.920 -2.546 2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.592 -3.655 2.622 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.573 -3.111 -0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.849 -1.882 -0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.428 -2.510 1.211 1.00 0.00 H new ATOM 1019 N ARG A 65 -12.133 -4.263 1.642 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.595 -4.064 1.777 1.00 0.00 C ATOM 1021 C ARG A 65 -13.981 -2.970 2.779 1.00 0.00 C ATOM 1022 O ARG A 65 -15.057 -2.385 2.657 1.00 0.00 O ATOM 1023 CB ARG A 65 -14.317 -5.401 2.073 1.00 0.00 C ATOM 1024 CG ARG A 65 -13.596 -6.358 3.044 1.00 0.00 C ATOM 1025 CD ARG A 65 -12.623 -7.298 2.312 1.00 0.00 C ATOM 1026 NE ARG A 65 -11.374 -7.492 3.068 1.00 0.00 N ATOM 1027 CZ ARG A 65 -10.519 -8.488 2.959 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -10.697 -9.500 2.156 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -9.454 -8.466 3.695 1.00 0.00 N ATOM 0 H ARG A 65 -11.674 -4.433 2.537 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.940 -3.699 0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.303 -5.176 2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.474 -5.923 1.129 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -13.049 -5.777 3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.335 -6.950 3.584 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -13.103 -8.263 2.150 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.392 -6.888 1.329 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.145 -6.773 3.754 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.532 -9.547 1.572 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.001 -10.245 2.112 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.295 -7.691 4.338 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.774 -9.224 3.632 1.00 0.00 H new ATOM 1043 N HIS A 66 -13.093 -2.644 3.718 1.00 0.00 N ATOM 1044 CA HIS A 66 -13.162 -1.456 4.579 1.00 0.00 C ATOM 1045 C HIS A 66 -11.773 -0.805 4.671 1.00 0.00 C ATOM 1046 O HIS A 66 -11.116 -0.863 5.709 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.869 -1.743 5.927 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.400 -2.887 6.809 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -13.444 -2.885 8.208 1.00 0.00 N ATOM 1050 CD2 HIS A 66 -13.050 -4.143 6.406 1.00 0.00 C ATOM 1051 CE1 HIS A 66 -13.075 -4.117 8.599 1.00 0.00 C ATOM 1052 NE2 HIS A 66 -12.827 -4.893 7.535 1.00 0.00 N ATOM 0 H HIS A 66 -12.273 -3.220 3.910 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.812 -0.706 4.127 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.811 -0.832 6.522 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.923 -1.915 5.709 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -12.964 -4.485 5.385 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.990 -4.437 9.627 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -12.526 -5.867 7.559 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.272 -0.216 3.563 1.00 0.00 N ATOM 1061 CA PRO A 67 -9.865 0.160 3.420 1.00 0.00 C ATOM 1062 C PRO A 67 -9.378 1.211 4.419 1.00 0.00 C ATOM 1063 O PRO A 67 -8.237 1.133 4.855 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.704 0.650 1.971 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.120 1.059 1.583 1.00 0.00 C ATOM 1066 CD PRO A 67 -11.976 0.035 2.313 1.00 0.00 C ATOM 0 HA PRO A 67 -9.242 -0.707 3.641 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.010 1.488 1.904 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.319 -0.135 1.321 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.348 2.077 1.899 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.272 1.019 0.504 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.981 0.417 2.495 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.083 -0.879 1.729 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.227 2.136 4.865 1.00 0.00 N ATOM 1075 CA ASP A 68 -9.867 3.111 5.903 1.00 0.00 C ATOM 1076 C ASP A 68 -9.710 2.482 7.304 1.00 0.00 C ATOM 1077 O ASP A 68 -9.209 3.132 8.226 1.00 0.00 O ATOM 1078 CB ASP A 68 -10.837 4.300 5.865 1.00 0.00 C ATOM 1079 CG ASP A 68 -12.308 3.878 5.964 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -12.908 3.598 4.897 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -12.862 3.836 7.087 1.00 0.00 O ATOM 0 H ASP A 68 -11.182 2.234 4.520 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.871 3.492 5.677 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.604 4.978 6.686 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.686 4.855 4.939 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.091 1.206 7.454 1.00 0.00 N ATOM 1087 CA VAL A 69 -9.844 0.365 8.633 1.00 0.00 C ATOM 1088 C VAL A 69 -8.685 -0.618 8.394 1.00 0.00 C ATOM 1089 O VAL A 69 -7.827 -0.788 9.260 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.117 -0.413 9.030 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -10.956 -1.089 10.397 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.362 0.483 9.087 1.00 0.00 C ATOM 0 H VAL A 69 -10.603 0.710 6.724 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.565 1.030 9.450 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.254 -1.163 8.251 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.870 -1.628 10.646 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.121 -1.788 10.361 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.763 -0.332 11.157 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.228 -0.115 9.371 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.209 1.272 9.823 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.534 0.929 8.108 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.643 -1.266 7.224 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.698 -2.360 6.917 1.00 0.00 C ATOM 1104 C GLU A 70 -6.320 -1.881 6.449 1.00 0.00 C ATOM 1105 O GLU A 70 -5.319 -2.548 6.714 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.285 -3.277 5.825 1.00 0.00 C ATOM 1107 CG GLU A 70 -9.590 -3.988 6.197 1.00 0.00 C ATOM 1108 CD GLU A 70 -10.087 -4.868 5.035 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -10.803 -4.368 4.134 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -9.783 -6.083 5.018 1.00 0.00 O ATOM 0 H GLU A 70 -9.270 -1.047 6.450 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.557 -2.894 7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.458 -2.682 4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.541 -4.031 5.568 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.434 -4.603 7.083 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.351 -3.250 6.451 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.272 -0.739 5.761 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.070 -0.069 5.254 1.00 0.00 C ATOM 1119 C VAL A 71 -4.636 0.982 6.262 1.00 0.00 C ATOM 1120 O VAL A 71 -5.092 2.126 6.274 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.297 0.506 3.855 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -3.942 0.925 3.314 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.862 -0.546 2.897 1.00 0.00 C ATOM 0 H VAL A 71 -7.122 -0.225 5.528 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.262 -0.792 5.142 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.003 1.333 3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.062 1.342 2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.505 1.677 3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.284 0.057 3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.010 -0.100 1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.163 -1.378 2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.816 -0.910 3.278 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.719 0.571 7.126 1.00 0.00 N ATOM 1134 CA ASP A 72 -3.068 1.453 8.082 1.00 0.00 C ATOM 1135 C ASP A 72 -2.236 2.525 7.352 1.00 0.00 C ATOM 1136 O ASP A 72 -1.589 2.248 6.346 1.00 0.00 O ATOM 1137 CB ASP A 72 -2.250 0.564 9.018 1.00 0.00 C ATOM 1138 CG ASP A 72 -1.442 1.360 10.051 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -2.012 2.257 10.709 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -0.227 1.082 10.201 1.00 0.00 O ATOM 0 H ASP A 72 -3.403 -0.397 7.183 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.787 2.017 8.676 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.921 -0.119 9.539 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.569 -0.047 8.426 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.282 3.768 7.823 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.574 4.909 7.224 1.00 0.00 C ATOM 1147 C GLY A 73 -2.329 5.632 6.102 1.00 0.00 C ATOM 1148 O GLY A 73 -1.878 6.676 5.642 1.00 0.00 O ATOM 0 H GLY A 73 -2.823 4.022 8.650 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.348 5.629 8.011 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.620 4.558 6.830 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.521 5.160 5.718 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.452 5.858 4.813 1.00 0.00 C ATOM 1154 C PHE A 74 -4.818 7.274 5.306 1.00 0.00 C ATOM 1155 O PHE A 74 -5.104 8.160 4.503 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.693 4.958 4.687 1.00 0.00 C ATOM 1157 CG PHE A 74 -6.832 5.491 3.841 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -6.891 5.194 2.467 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -7.869 6.232 4.442 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -7.987 5.628 1.702 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -8.960 6.673 3.672 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.020 6.366 2.304 1.00 0.00 C ATOM 0 H PHE A 74 -3.877 4.258 6.035 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.982 6.019 3.843 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.379 4.000 4.272 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.075 4.762 5.689 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.095 4.633 2.001 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.826 6.462 5.496 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.035 5.394 0.649 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.750 7.247 4.133 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.861 6.697 1.713 1.00 0.00 H new ATOM 1172 N SER A 75 -4.751 7.521 6.616 1.00 0.00 N ATOM 1173 CA SER A 75 -4.870 8.850 7.237 1.00 0.00 C ATOM 1174 C SER A 75 -3.747 9.832 6.861 1.00 0.00 C ATOM 1175 O SER A 75 -3.958 11.046 6.899 1.00 0.00 O ATOM 1176 CB SER A 75 -4.897 8.686 8.761 1.00 0.00 C ATOM 1177 OG SER A 75 -3.832 7.849 9.197 1.00 0.00 O ATOM 0 H SER A 75 -4.608 6.779 7.300 1.00 0.00 H new ATOM 0 HA SER A 75 -5.794 9.283 6.855 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.817 9.663 9.238 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.851 8.258 9.069 1.00 0.00 H new ATOM 0 HG SER A 75 -3.866 7.758 10.172 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.564 9.343 6.475 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.406 10.167 6.092 1.00 0.00 C ATOM 1185 C GLU A 76 -1.525 10.720 4.657 1.00 0.00 C ATOM 1186 O GLU A 76 -0.920 11.743 4.329 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.103 9.355 6.219 1.00 0.00 C ATOM 1188 CG GLU A 76 0.147 8.777 7.624 1.00 0.00 C ATOM 1189 CD GLU A 76 1.401 7.883 7.671 1.00 0.00 C ATOM 1190 OE1 GLU A 76 2.418 8.210 7.014 1.00 0.00 O ATOM 1191 OE2 GLU A 76 1.383 6.847 8.381 1.00 0.00 O ATOM 0 H GLU A 76 -2.378 8.342 6.418 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.385 11.015 6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.127 8.536 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.737 9.993 5.946 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.259 9.594 8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.722 8.198 7.937 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.324 10.059 3.811 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.655 10.484 2.446 1.00 0.00 C ATOM 1200 C LEU A 77 -3.556 11.732 2.468 1.00 0.00 C ATOM 1201 O LEU A 77 -4.185 12.051 3.483 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.371 9.332 1.709 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.527 8.148 1.203 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -1.512 7.583 2.192 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -3.477 7.031 0.765 1.00 0.00 C ATOM 0 H LEU A 77 -2.774 9.181 4.068 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.733 10.736 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.134 8.934 2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.891 9.759 0.851 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.928 8.542 0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.976 6.755 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.804 8.363 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.031 7.227 3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.898 6.182 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.087 6.719 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.124 7.396 -0.033 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.666 12.425 1.330 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.701 13.439 1.053 1.00 0.00 C ATOM 1219 C ARG A 78 -5.814 12.907 0.157 1.00 0.00 C ATOM 1220 O ARG A 78 -5.719 11.812 -0.406 1.00 0.00 O ATOM 1221 CB ARG A 78 -4.065 14.741 0.524 1.00 0.00 C ATOM 1222 CG ARG A 78 -3.304 15.536 1.601 1.00 0.00 C ATOM 1223 CD ARG A 78 -4.179 15.913 2.812 1.00 0.00 C ATOM 1224 NE ARG A 78 -4.145 14.873 3.861 1.00 0.00 N ATOM 1225 CZ ARG A 78 -4.428 14.988 5.142 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -4.728 16.129 5.699 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -4.419 13.923 5.890 1.00 0.00 N ATOM 0 H ARG A 78 -3.021 12.296 0.551 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.189 13.683 1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.380 14.497 -0.288 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.847 15.373 0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.454 14.947 1.945 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.902 16.446 1.155 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.835 16.860 3.228 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.207 16.064 2.484 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.865 13.942 3.552 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.750 16.980 5.138 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.940 16.170 6.696 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.195 13.015 5.482 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.636 13.996 6.884 1.00 0.00 H new ATOM 1241 N TRP A 79 -6.899 13.680 0.087 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.206 13.247 -0.413 1.00 0.00 C ATOM 1243 C TRP A 79 -8.155 12.598 -1.808 1.00 0.00 C ATOM 1244 O TRP A 79 -8.864 11.623 -2.049 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.198 14.428 -0.346 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.041 14.669 -1.564 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.276 14.171 -1.796 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -9.695 15.443 -2.752 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -11.717 14.588 -3.038 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -10.782 15.379 -3.673 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -8.555 16.175 -3.146 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -10.747 16.025 -4.918 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -8.507 16.829 -4.393 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -9.600 16.757 -5.277 1.00 0.00 C ATOM 0 H TRP A 79 -6.893 14.655 0.386 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.560 12.448 0.239 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.863 14.266 0.502 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.632 15.336 -0.138 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.833 13.544 -1.116 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -12.623 14.341 -3.436 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.706 16.235 -2.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -11.589 15.961 -5.592 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -7.627 17.389 -4.672 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.558 17.263 -6.230 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.289 13.079 -2.708 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.199 12.566 -4.081 1.00 0.00 C ATOM 1267 C ASP A 80 -6.556 11.169 -4.181 1.00 0.00 C ATOM 1268 O ASP A 80 -6.899 10.388 -5.067 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.474 13.569 -4.985 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.618 13.187 -6.469 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -7.762 12.927 -6.919 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.594 13.170 -7.193 1.00 0.00 O ATOM 0 H ASP A 80 -6.632 13.833 -2.506 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.225 12.446 -4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.880 14.568 -4.823 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.418 13.606 -4.717 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.645 10.826 -3.267 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.060 9.491 -3.170 1.00 0.00 C ATOM 1279 C ASP A 81 -5.962 8.579 -2.345 1.00 0.00 C ATOM 1280 O ASP A 81 -6.172 7.440 -2.741 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.639 9.560 -2.602 1.00 0.00 C ATOM 1282 CG ASP A 81 -2.681 10.205 -3.610 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.463 9.610 -4.693 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.147 11.297 -3.309 1.00 0.00 O ATOM 0 H ASP A 81 -5.290 11.477 -2.566 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.984 9.064 -4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.640 10.134 -1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.292 8.557 -2.354 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.586 9.087 -1.277 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.612 8.367 -0.520 1.00 0.00 C ATOM 1291 C GLN A 82 -8.759 7.897 -1.427 1.00 0.00 C ATOM 1292 O GLN A 82 -9.054 6.704 -1.467 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.142 9.263 0.610 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.130 9.390 1.757 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.584 10.336 2.868 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.435 11.201 2.703 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.012 10.229 4.046 1.00 0.00 N ATOM 0 H GLN A 82 -6.390 10.019 -0.911 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.158 7.475 -0.088 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.369 10.253 0.214 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.076 8.852 0.993 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.949 8.403 2.182 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.180 9.743 1.356 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.301 9.515 4.205 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.279 10.860 4.802 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.357 8.789 -2.228 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.463 8.421 -3.122 1.00 0.00 C ATOM 1308 C GLN A 83 -10.043 7.447 -4.233 1.00 0.00 C ATOM 1309 O GLN A 83 -10.866 6.651 -4.676 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.173 9.673 -3.674 1.00 0.00 C ATOM 1311 CG GLN A 83 -10.407 10.436 -4.771 1.00 0.00 C ATOM 1312 CD GLN A 83 -11.097 11.735 -5.205 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -12.250 12.010 -4.890 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -10.446 12.587 -5.969 1.00 0.00 N ATOM 0 H GLN A 83 -9.092 9.773 -2.275 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.186 7.873 -2.518 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.143 9.374 -4.072 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.365 10.356 -2.846 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.405 10.669 -4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.290 9.788 -5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.485 12.389 -6.250 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.902 13.445 -6.280 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.770 7.450 -4.654 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.204 6.584 -5.689 1.00 0.00 C ATOM 1325 C LYS A 84 -7.817 5.224 -5.110 1.00 0.00 C ATOM 1326 O LYS A 84 -8.050 4.212 -5.763 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.046 7.372 -6.327 1.00 0.00 C ATOM 1328 CG LYS A 84 -6.167 6.624 -7.335 1.00 0.00 C ATOM 1329 CD LYS A 84 -4.990 5.884 -6.680 1.00 0.00 C ATOM 1330 CE LYS A 84 -4.018 6.733 -5.843 1.00 0.00 C ATOM 1331 NZ LYS A 84 -3.405 7.852 -6.607 1.00 0.00 N ATOM 0 H LYS A 84 -8.077 8.088 -4.261 1.00 0.00 H new ATOM 0 HA LYS A 84 -8.923 6.336 -6.470 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.465 8.246 -6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.405 7.740 -5.526 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.780 5.907 -7.880 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.780 7.333 -8.066 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.395 5.101 -6.040 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.419 5.390 -7.466 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.550 7.139 -4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.227 6.091 -5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.000 8.544 -5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.654 7.481 -7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.132 8.315 -7.189 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.314 5.164 -3.875 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.105 3.893 -3.144 1.00 0.00 C ATOM 1347 C VAL A 85 -8.454 3.218 -2.879 1.00 0.00 C ATOM 1348 O VAL A 85 -8.606 2.032 -3.173 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.327 4.120 -1.825 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.249 2.867 -0.936 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.881 4.573 -2.062 1.00 0.00 C ATOM 0 H VAL A 85 -7.037 5.991 -3.345 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.498 3.234 -3.765 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.901 4.899 -1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.690 3.098 -0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.256 2.547 -0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.745 2.067 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.383 4.717 -1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.351 3.813 -2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.880 5.512 -2.616 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.470 3.967 -2.423 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.830 3.430 -2.227 1.00 0.00 C ATOM 1363 C LYS A 86 -11.500 3.047 -3.552 1.00 0.00 C ATOM 1364 O LYS A 86 -12.099 1.975 -3.627 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.691 4.386 -1.377 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.121 4.514 0.051 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.069 5.113 1.104 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.313 4.248 1.309 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.050 4.602 2.552 1.00 0.00 N ATOM 0 H LYS A 86 -9.376 4.953 -2.181 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.737 2.502 -1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.726 5.368 -1.849 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.716 4.017 -1.333 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.814 3.524 0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.222 5.129 0.008 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.540 5.218 2.051 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.370 6.114 0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.976 4.361 0.452 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.020 3.199 1.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.028 4.253 2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.580 4.165 3.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.058 5.635 2.668 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.312 3.826 -4.627 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.742 3.457 -5.993 1.00 0.00 C ATOM 1385 C LYS A 87 -11.080 2.160 -6.456 1.00 0.00 C ATOM 1386 O LYS A 87 -11.768 1.280 -6.958 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.447 4.611 -6.972 1.00 0.00 C ATOM 1388 CG LYS A 87 -11.855 4.359 -8.433 1.00 0.00 C ATOM 1389 CD LYS A 87 -13.374 4.237 -8.598 1.00 0.00 C ATOM 1390 CE LYS A 87 -13.734 4.077 -10.081 1.00 0.00 C ATOM 1391 NZ LYS A 87 -15.205 3.975 -10.279 1.00 0.00 N ATOM 0 H LYS A 87 -10.855 4.737 -4.578 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.818 3.282 -5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -11.961 5.505 -6.618 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.379 4.825 -6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.488 5.174 -9.057 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.378 3.446 -8.789 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.741 3.380 -8.033 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.864 5.121 -8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.349 4.927 -10.643 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.250 3.185 -10.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.412 3.868 -11.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.568 3.149 -9.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.664 4.837 -9.921 1.00 0.00 H new ATOM 1405 N THR A 88 -9.775 2.004 -6.239 1.00 0.00 N ATOM 1406 CA THR A 88 -9.014 0.808 -6.630 1.00 0.00 C ATOM 1407 C THR A 88 -9.417 -0.427 -5.815 1.00 0.00 C ATOM 1408 O THR A 88 -9.478 -1.525 -6.368 1.00 0.00 O ATOM 1409 CB THR A 88 -7.499 1.058 -6.575 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.169 2.196 -7.345 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.716 -0.086 -7.212 1.00 0.00 C ATOM 0 H THR A 88 -9.204 2.713 -5.780 1.00 0.00 H new ATOM 0 HA THR A 88 -9.270 0.595 -7.668 1.00 0.00 H new ATOM 0 HB THR A 88 -7.246 1.171 -5.521 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.328 3.006 -6.817 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.649 0.127 -7.154 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.930 -1.014 -6.681 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.009 -0.190 -8.257 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.795 -0.262 -4.543 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.327 -1.336 -3.710 1.00 0.00 C ATOM 1421 C ALA A 89 -11.734 -1.754 -4.170 1.00 0.00 C ATOM 1422 O ALA A 89 -12.028 -2.947 -4.268 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.335 -0.852 -2.256 1.00 0.00 C ATOM 0 H ALA A 89 -9.738 0.635 -4.060 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.697 -2.221 -3.800 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.729 -1.639 -1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.318 -0.607 -1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.963 0.035 -2.171 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.574 -0.785 -4.553 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.908 -1.046 -5.112 1.00 0.00 C ATOM 1431 C GLU A 90 -13.843 -1.674 -6.517 1.00 0.00 C ATOM 1432 O GLU A 90 -14.687 -2.495 -6.882 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.730 0.254 -5.150 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.212 0.718 -3.769 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.385 -0.141 -3.255 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -17.558 0.174 -3.575 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -16.147 -1.132 -2.524 1.00 0.00 O ATOM 0 H GLU A 90 -12.347 0.207 -4.484 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.396 -1.768 -4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.126 1.043 -5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.595 0.108 -5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -14.386 0.668 -3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -15.522 1.762 -3.824 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.808 -1.327 -7.283 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.493 -1.859 -8.606 1.00 0.00 C ATOM 1446 C ALA A 91 -11.849 -3.267 -8.576 1.00 0.00 C ATOM 1447 O ALA A 91 -11.647 -3.872 -9.632 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.590 -0.826 -9.295 1.00 0.00 C ATOM 0 H ALA A 91 -12.130 -0.628 -6.978 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.417 -2.009 -9.165 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.326 -1.180 -10.292 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.119 0.124 -9.376 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.682 -0.687 -8.708 1.00 0.00 H new ATOM 1454 N GLY A 92 -11.519 -3.799 -7.390 1.00 0.00 N ATOM 1455 CA GLY A 92 -10.865 -5.104 -7.220 1.00 0.00 C ATOM 1456 C GLY A 92 -9.395 -5.135 -7.663 1.00 0.00 C ATOM 1457 O GLY A 92 -8.886 -6.196 -8.035 1.00 0.00 O ATOM 0 H GLY A 92 -11.703 -3.325 -6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.922 -5.392 -6.170 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.419 -5.852 -7.787 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.717 -3.985 -7.626 1.00 0.00 N ATOM 1462 CA GLY A 93 -7.300 -3.826 -7.941 1.00 0.00 C ATOM 1463 C GLY A 93 -7.002 -3.363 -9.369 1.00 0.00 C ATOM 1464 O GLY A 93 -7.631 -3.805 -10.334 1.00 0.00 O ATOM 0 H GLY A 93 -9.161 -3.105 -7.365 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.867 -3.108 -7.245 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.797 -4.778 -7.771 1.00 0.00 H new ATOM 1468 N VAL A 94 -6.000 -2.486 -9.503 1.00 0.00 N ATOM 1469 CA VAL A 94 -5.390 -2.129 -10.796 1.00 0.00 C ATOM 1470 C VAL A 94 -4.430 -3.226 -11.257 1.00 0.00 C ATOM 1471 O VAL A 94 -3.729 -3.845 -10.455 1.00 0.00 O ATOM 1472 CB VAL A 94 -4.701 -0.745 -10.765 1.00 0.00 C ATOM 1473 CG1 VAL A 94 -3.541 -0.652 -9.767 1.00 0.00 C ATOM 1474 CG2 VAL A 94 -4.171 -0.330 -12.149 1.00 0.00 C ATOM 0 H VAL A 94 -5.583 -1.997 -8.710 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.197 -2.050 -11.525 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.490 -0.065 -10.442 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.109 0.348 -9.803 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.910 -0.852 -8.761 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.778 -1.386 -10.026 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.695 0.648 -12.078 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.443 -1.063 -12.495 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.999 -0.280 -12.856 1.00 0.00 H new ATOM 1484 N THR A 95 -4.369 -3.442 -12.566 1.00 0.00 N ATOM 1485 CA THR A 95 -3.376 -4.296 -13.228 1.00 0.00 C ATOM 1486 C THR A 95 -2.828 -3.577 -14.466 1.00 0.00 C ATOM 1487 O THR A 95 -3.497 -2.715 -15.045 1.00 0.00 O ATOM 1488 CB THR A 95 -3.961 -5.679 -13.573 1.00 0.00 C ATOM 1489 OG1 THR A 95 -5.055 -5.565 -14.463 1.00 0.00 O ATOM 1490 CG2 THR A 95 -4.458 -6.411 -12.319 1.00 0.00 C ATOM 0 H THR A 95 -5.027 -3.017 -13.220 1.00 0.00 H new ATOM 0 HA THR A 95 -2.549 -4.477 -12.541 1.00 0.00 H new ATOM 0 HB THR A 95 -3.153 -6.244 -14.037 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.406 -6.457 -14.666 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.864 -7.382 -12.602 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.628 -6.552 -11.627 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.236 -5.819 -11.837 1.00 0.00 H new ATOM 1498 N GLY A 96 -1.588 -3.882 -14.859 1.00 0.00 N ATOM 1499 CA GLY A 96 -0.966 -3.295 -16.055 1.00 0.00 C ATOM 1500 C GLY A 96 -0.310 -1.915 -15.893 1.00 0.00 C ATOM 1501 O GLY A 96 0.101 -1.328 -16.898 1.00 0.00 O ATOM 0 H GLY A 96 -0.987 -4.539 -14.361 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.209 -3.990 -16.419 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.728 -3.219 -16.831 1.00 0.00 H new ATOM 1505 N LYS A 97 -0.210 -1.382 -14.664 1.00 0.00 N ATOM 1506 CA LYS A 97 0.333 -0.039 -14.361 1.00 0.00 C ATOM 1507 C LYS A 97 1.446 -0.069 -13.304 1.00 0.00 C ATOM 1508 O LYS A 97 1.613 -1.054 -12.582 1.00 0.00 O ATOM 1509 CB LYS A 97 -0.811 0.923 -13.977 1.00 0.00 C ATOM 1510 CG LYS A 97 -1.823 1.103 -15.122 1.00 0.00 C ATOM 1511 CD LYS A 97 -2.804 2.251 -14.849 1.00 0.00 C ATOM 1512 CE LYS A 97 -3.809 2.360 -16.003 1.00 0.00 C ATOM 1513 NZ LYS A 97 -4.770 3.475 -15.794 1.00 0.00 N ATOM 0 H LYS A 97 -0.512 -1.883 -13.829 1.00 0.00 H new ATOM 0 HA LYS A 97 0.807 0.337 -15.268 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.326 0.541 -13.095 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.393 1.893 -13.707 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.288 1.297 -16.051 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.380 0.176 -15.262 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.331 2.076 -13.911 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.259 3.189 -14.739 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.272 2.513 -16.939 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.356 1.422 -16.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.433 3.517 -16.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.300 3.316 -14.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.250 4.373 -15.728 1.00 0.00 H new ATOM 1527 N GLY A 98 2.209 1.018 -13.210 1.00 0.00 N ATOM 1528 CA GLY A 98 3.361 1.167 -12.310 1.00 0.00 C ATOM 1529 C GLY A 98 3.790 2.627 -12.115 1.00 0.00 C ATOM 1530 O GLY A 98 3.043 3.554 -12.438 1.00 0.00 O ATOM 0 H GLY A 98 2.040 1.850 -13.776 1.00 0.00 H new ATOM 0 HA2 GLY A 98 3.115 0.735 -11.340 1.00 0.00 H new ATOM 0 HA3 GLY A 98 4.201 0.598 -12.708 1.00 0.00 H new ATOM 1534 N GLN A 99 4.996 2.827 -11.574 1.00 0.00 N ATOM 1535 CA GLN A 99 5.569 4.140 -11.235 1.00 0.00 C ATOM 1536 C GLN A 99 6.950 4.354 -11.883 1.00 0.00 C ATOM 1537 O GLN A 99 7.690 3.399 -12.133 1.00 0.00 O ATOM 1538 CB GLN A 99 5.656 4.287 -9.705 1.00 0.00 C ATOM 1539 CG GLN A 99 4.267 4.346 -9.042 1.00 0.00 C ATOM 1540 CD GLN A 99 4.319 4.459 -7.520 1.00 0.00 C ATOM 1541 OE1 GLN A 99 5.359 4.421 -6.879 1.00 0.00 O ATOM 1542 NE2 GLN A 99 3.181 4.581 -6.875 1.00 0.00 N ATOM 0 H GLN A 99 5.624 2.055 -11.351 1.00 0.00 H new ATOM 0 HA GLN A 99 4.909 4.909 -11.636 1.00 0.00 H new ATOM 0 HB2 GLN A 99 6.217 3.448 -9.293 1.00 0.00 H new ATOM 0 HB3 GLN A 99 6.211 5.193 -9.460 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.719 5.199 -9.443 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.707 3.451 -9.312 1.00 0.00 H new ATOM 0 HE21 GLN A 99 2.303 4.615 -7.392 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.176 4.642 -5.857 1.00 0.00 H new ATOM 1551 N ASP A 100 7.302 5.615 -12.144 1.00 0.00 N ATOM 1552 CA ASP A 100 8.596 6.025 -12.710 1.00 0.00 C ATOM 1553 C ASP A 100 9.676 6.233 -11.624 1.00 0.00 C ATOM 1554 O ASP A 100 9.372 6.605 -10.486 1.00 0.00 O ATOM 1555 CB ASP A 100 8.387 7.285 -13.566 1.00 0.00 C ATOM 1556 CG ASP A 100 9.668 7.725 -14.298 1.00 0.00 C ATOM 1557 OD1 ASP A 100 10.285 6.885 -14.994 1.00 0.00 O ATOM 1558 OD2 ASP A 100 10.059 8.911 -14.178 1.00 0.00 O ATOM 0 H ASP A 100 6.680 6.403 -11.964 1.00 0.00 H new ATOM 0 HA ASP A 100 8.973 5.221 -13.342 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.602 7.096 -14.298 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.040 8.099 -12.929 1.00 0.00 H new ATOM 1563 N GLY A 101 10.946 6.015 -11.982 1.00 0.00 N ATOM 1564 CA GLY A 101 12.096 6.105 -11.071 1.00 0.00 C ATOM 1565 C GLY A 101 12.278 4.880 -10.159 1.00 0.00 C ATOM 1566 O GLY A 101 11.493 3.929 -10.187 1.00 0.00 O ATOM 0 H GLY A 101 11.211 5.765 -12.935 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.002 6.242 -11.661 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.983 6.993 -10.449 1.00 0.00 H new ATOM 1570 N ILE A 102 13.348 4.899 -9.357 1.00 0.00 N ATOM 1571 CA ILE A 102 13.760 3.799 -8.468 1.00 0.00 C ATOM 1572 C ILE A 102 14.395 4.336 -7.172 1.00 0.00 C ATOM 1573 O ILE A 102 15.095 5.350 -7.178 1.00 0.00 O ATOM 1574 CB ILE A 102 14.682 2.815 -9.236 1.00 0.00 C ATOM 1575 CG1 ILE A 102 14.923 1.528 -8.416 1.00 0.00 C ATOM 1576 CG2 ILE A 102 16.006 3.467 -9.678 1.00 0.00 C ATOM 1577 CD1 ILE A 102 15.601 0.394 -9.195 1.00 0.00 C ATOM 0 H ILE A 102 13.973 5.704 -9.305 1.00 0.00 H new ATOM 0 HA ILE A 102 12.878 3.239 -8.156 1.00 0.00 H new ATOM 0 HB ILE A 102 14.160 2.537 -10.152 1.00 0.00 H new ATOM 0 HG12 ILE A 102 15.537 1.774 -7.550 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.966 1.170 -8.037 1.00 0.00 H new ATOM 0 HG21 ILE A 102 16.612 2.734 -10.210 1.00 0.00 H new ATOM 0 HG22 ILE A 102 15.795 4.310 -10.336 1.00 0.00 H new ATOM 0 HG23 ILE A 102 16.549 3.819 -8.801 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.731 -0.469 -8.542 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.980 0.115 -10.046 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.575 0.729 -9.551 1.00 0.00 H new ATOM 1589 N GLY A 103 14.145 3.657 -6.048 1.00 0.00 N ATOM 1590 CA GLY A 103 14.605 4.058 -4.709 1.00 0.00 C ATOM 1591 C GLY A 103 16.084 3.794 -4.384 1.00 0.00 C ATOM 1592 O GLY A 103 16.571 4.287 -3.365 1.00 0.00 O ATOM 0 H GLY A 103 13.604 2.792 -6.041 1.00 0.00 H new ATOM 0 HA2 GLY A 103 14.414 5.124 -4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.995 3.539 -3.969 1.00 0.00 H new ATOM 1596 N SER A 104 16.804 3.047 -5.231 1.00 0.00 N ATOM 1597 CA SER A 104 18.192 2.605 -4.998 1.00 0.00 C ATOM 1598 C SER A 104 19.030 2.609 -6.284 1.00 0.00 C ATOM 1599 O SER A 104 18.511 2.335 -7.370 1.00 0.00 O ATOM 1600 CB SER A 104 18.216 1.185 -4.410 1.00 0.00 C ATOM 1601 OG SER A 104 17.449 1.089 -3.220 1.00 0.00 O ATOM 0 H SER A 104 16.430 2.723 -6.123 1.00 0.00 H new ATOM 0 HA SER A 104 18.626 3.317 -4.296 1.00 0.00 H new ATOM 0 HB2 SER A 104 17.831 0.481 -5.147 1.00 0.00 H new ATOM 0 HB3 SER A 104 19.246 0.896 -4.202 1.00 0.00 H new ATOM 0 HG SER A 104 17.488 0.171 -2.879 1.00 0.00 H new ATOM 1607 N LYS A 105 20.340 2.869 -6.156 1.00 0.00 N ATOM 1608 CA LYS A 105 21.345 2.799 -7.235 1.00 0.00 C ATOM 1609 C LYS A 105 22.705 2.336 -6.687 1.00 0.00 C ATOM 1610 O LYS A 105 23.067 2.689 -5.562 1.00 0.00 O ATOM 1611 CB LYS A 105 21.454 4.179 -7.917 1.00 0.00 C ATOM 1612 CG LYS A 105 22.204 4.122 -9.258 1.00 0.00 C ATOM 1613 CD LYS A 105 22.414 5.524 -9.842 1.00 0.00 C ATOM 1614 CE LYS A 105 23.098 5.420 -11.211 1.00 0.00 C ATOM 1615 NZ LYS A 105 23.643 6.730 -11.644 1.00 0.00 N ATOM 0 H LYS A 105 20.748 3.145 -5.263 1.00 0.00 H new ATOM 0 HA LYS A 105 21.030 2.064 -7.976 1.00 0.00 H new ATOM 0 HB2 LYS A 105 20.453 4.578 -8.082 1.00 0.00 H new ATOM 0 HB3 LYS A 105 21.966 4.871 -7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 105 23.170 3.637 -9.116 1.00 0.00 H new ATOM 0 HG3 LYS A 105 21.642 3.512 -9.965 1.00 0.00 H new ATOM 0 HD2 LYS A 105 21.456 6.033 -9.942 1.00 0.00 H new ATOM 0 HD3 LYS A 105 23.024 6.122 -9.165 1.00 0.00 H new ATOM 0 HE2 LYS A 105 23.903 4.687 -11.162 1.00 0.00 H new ATOM 0 HE3 LYS A 105 22.383 5.059 -11.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 23.977 6.659 -12.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 22.898 7.453 -11.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 24.436 6.997 -11.027 1.00 0.00 H new ATOM 1629 N ALA A 106 23.462 1.579 -7.483 1.00 0.00 N ATOM 1630 CA ALA A 106 24.804 1.093 -7.153 1.00 0.00 C ATOM 1631 C ALA A 106 25.885 1.860 -7.946 1.00 0.00 C ATOM 1632 O ALA A 106 26.226 1.503 -9.076 1.00 0.00 O ATOM 1633 CB ALA A 106 24.839 -0.425 -7.383 1.00 0.00 C ATOM 0 H ALA A 106 23.148 1.277 -8.405 1.00 0.00 H new ATOM 0 HA ALA A 106 25.032 1.282 -6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 106 25.831 -0.807 -7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 106 24.100 -0.907 -6.743 1.00 0.00 H new ATOM 0 HB3 ALA A 106 24.611 -0.640 -8.427 1.00 0.00 H new ATOM 1639 N GLU A 107 26.423 2.928 -7.352 1.00 0.00 N ATOM 1640 CA GLU A 107 27.581 3.671 -7.879 1.00 0.00 C ATOM 1641 C GLU A 107 28.914 2.941 -7.614 1.00 0.00 C ATOM 1642 O GLU A 107 29.044 2.187 -6.641 1.00 0.00 O ATOM 1643 CB GLU A 107 27.618 5.092 -7.282 1.00 0.00 C ATOM 1644 CG GLU A 107 26.510 6.023 -7.806 1.00 0.00 C ATOM 1645 CD GLU A 107 26.657 6.429 -9.290 1.00 0.00 C ATOM 1646 OE1 GLU A 107 27.694 6.135 -9.934 1.00 0.00 O ATOM 1647 OE2 GLU A 107 25.716 7.060 -9.828 1.00 0.00 O ATOM 0 H GLU A 107 26.064 3.311 -6.477 1.00 0.00 H new ATOM 0 HA GLU A 107 27.461 3.737 -8.960 1.00 0.00 H new ATOM 0 HB2 GLU A 107 27.535 5.021 -6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 107 28.587 5.541 -7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 107 25.547 5.531 -7.672 1.00 0.00 H new ATOM 0 HG3 GLU A 107 26.494 6.926 -7.196 1.00 0.00 H new ATOM 1654 N LYS A 108 29.916 3.181 -8.473 1.00 0.00 N ATOM 1655 CA LYS A 108 31.270 2.596 -8.404 1.00 0.00 C ATOM 1656 C LYS A 108 32.341 3.595 -8.866 1.00 0.00 C ATOM 1657 O LYS A 108 32.212 4.149 -9.983 1.00 0.00 O ATOM 1658 CB LYS A 108 31.294 1.289 -9.225 1.00 0.00 C ATOM 1659 CG LYS A 108 32.622 0.514 -9.176 1.00 0.00 C ATOM 1660 CD LYS A 108 32.990 0.020 -7.768 1.00 0.00 C ATOM 1661 CE LYS A 108 34.261 -0.837 -7.829 1.00 0.00 C ATOM 1662 NZ LYS A 108 34.654 -1.334 -6.484 1.00 0.00 N ATOM 1663 OXT LYS A 108 33.298 3.836 -8.094 1.00 0.00 O ATOM 0 H LYS A 108 29.804 3.812 -9.267 1.00 0.00 H new ATOM 0 HA LYS A 108 31.511 2.360 -7.367 1.00 0.00 H new ATOM 0 HB2 LYS A 108 30.497 0.638 -8.866 1.00 0.00 H new ATOM 0 HB3 LYS A 108 31.068 1.526 -10.264 1.00 0.00 H new ATOM 0 HG2 LYS A 108 32.559 -0.342 -9.848 1.00 0.00 H new ATOM 0 HG3 LYS A 108 33.422 1.154 -9.549 1.00 0.00 H new ATOM 0 HD2 LYS A 108 33.146 0.870 -7.104 1.00 0.00 H new ATOM 0 HD3 LYS A 108 32.168 -0.562 -7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 108 34.098 -1.683 -8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 108 35.076 -0.250 -8.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 35.517 -1.909 -6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 34.834 -0.526 -5.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 33.886 -1.915 -6.091 1.00 0.00 H new TER 1677 LYS A 108 HETATM 1678 ZN ZN A 109 6.767 -2.534 -8.027 1.00 0.00 ZN