USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=28 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 5 SER OG : rot -170:sc= 0.815 USER MOD Set 1.2: A 47 LYS NZ :NH3+ -172:sc= 1.38 (180deg=0.655) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0.7 USER MOD Set 2.2: A 99 GLN : amide:sc= -0.258 X(o=0.44,f=0.13) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0216 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -175:sc= 1.2 (180deg=1.17) USER MOD Single : A 9 TYR OH : rot -125:sc= 0.364 USER MOD Single : A 13 TYR OH : rot -11:sc= 1.75 USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 1.29 (180deg=1.19) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=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 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -173:sc= -0.0241 (180deg=-0.103) USER MOD Single : A 38 MET CE :methyl 149:sc= -1.76 (180deg=-3.54!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.691 USER MOD Single : A 43 MET CE :methyl 131:sc=-0.000617 (180deg=-1.02) USER MOD Single : A 50 HIS : no HD1:sc= -0.0138 X(o=-0.014,f=-0.26) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 160:sc= 0.648 USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= 1.47 (180deg=0.677) USER MOD Single : A 62 HIS : no HD1:sc= -0.652 X(o=-0.65,f=-0.71) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.0842 F(o=-0.96,f=-0.084) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 1.01 K(o=1,f=-0.37) USER MOD Single : A 83 GLN : amide:sc= 0.82 K(o=0.82,f=-0.48) USER MOD Single : A 84 LYS NZ :NH3+ -160:sc= 1.17 (180deg=0.632) USER MOD Single : A 86 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.08) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 69:sc= 1.28 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 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.088 -0.392 24.985 1.00 0.00 N ATOM 2 CA MET A 1 4.938 -0.059 24.105 1.00 0.00 C ATOM 3 C MET A 1 4.261 -1.338 23.599 1.00 0.00 C ATOM 4 O MET A 1 4.938 -2.330 23.325 1.00 0.00 O ATOM 5 CB MET A 1 5.373 0.862 22.943 1.00 0.00 C ATOM 6 CG MET A 1 4.213 1.335 22.055 1.00 0.00 C ATOM 7 SD MET A 1 2.850 2.151 22.936 1.00 0.00 S ATOM 8 CE MET A 1 1.720 2.421 21.543 1.00 0.00 C ATOM 0 H1 MET A 1 6.913 0.177 24.708 1.00 0.00 H new ATOM 0 H2 MET A 1 5.840 -0.184 25.973 1.00 0.00 H new ATOM 0 H3 MET A 1 6.317 -1.402 24.890 1.00 0.00 H new ATOM 0 HA MET A 1 4.204 0.494 24.691 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.881 1.734 23.355 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.098 0.333 22.325 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.606 2.024 21.308 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.814 0.475 21.517 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.817 2.918 21.898 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.208 3.046 20.795 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.455 1.462 21.098 1.00 0.00 H new ATOM 20 N ALA A 2 2.928 -1.328 23.479 1.00 0.00 N ATOM 21 CA ALA A 2 2.135 -2.460 22.989 1.00 0.00 C ATOM 22 C ALA A 2 2.276 -2.686 21.466 1.00 0.00 C ATOM 23 O ALA A 2 2.624 -1.775 20.709 1.00 0.00 O ATOM 24 CB ALA A 2 0.672 -2.237 23.393 1.00 0.00 C ATOM 0 H ALA A 2 2.360 -0.517 23.725 1.00 0.00 H new ATOM 0 HA ALA A 2 2.516 -3.373 23.448 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.065 -3.070 23.037 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.600 -2.174 24.479 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.310 -1.309 22.951 1.00 0.00 H new ATOM 30 N GLU A 3 1.985 -3.906 21.009 1.00 0.00 N ATOM 31 CA GLU A 3 2.062 -4.308 19.598 1.00 0.00 C ATOM 32 C GLU A 3 1.086 -3.512 18.706 1.00 0.00 C ATOM 33 O GLU A 3 -0.085 -3.328 19.055 1.00 0.00 O ATOM 34 CB GLU A 3 1.803 -5.820 19.435 1.00 0.00 C ATOM 35 CG GLU A 3 2.713 -6.729 20.280 1.00 0.00 C ATOM 36 CD GLU A 3 2.065 -7.121 21.626 1.00 0.00 C ATOM 37 OE1 GLU A 3 1.992 -6.270 22.546 1.00 0.00 O ATOM 38 OE2 GLU A 3 1.624 -8.287 21.776 1.00 0.00 O ATOM 0 H GLU A 3 1.682 -4.662 21.623 1.00 0.00 H new ATOM 0 HA GLU A 3 3.076 -4.081 19.269 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.765 -6.026 19.696 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.926 -6.083 18.384 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.946 -7.632 19.715 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.657 -6.219 20.469 1.00 0.00 H new ATOM 45 N SER A 4 1.564 -3.066 17.536 1.00 0.00 N ATOM 46 CA SER A 4 0.823 -2.189 16.604 1.00 0.00 C ATOM 47 C SER A 4 0.447 -2.856 15.270 1.00 0.00 C ATOM 48 O SER A 4 -0.110 -2.203 14.388 1.00 0.00 O ATOM 49 CB SER A 4 1.613 -0.892 16.361 1.00 0.00 C ATOM 50 OG SER A 4 1.804 -0.175 17.573 1.00 0.00 O ATOM 0 H SER A 4 2.496 -3.307 17.199 1.00 0.00 H new ATOM 0 HA SER A 4 -0.126 -1.963 17.091 1.00 0.00 H new ATOM 0 HB2 SER A 4 2.581 -1.129 15.919 1.00 0.00 H new ATOM 0 HB3 SER A 4 1.080 -0.267 15.645 1.00 0.00 H new ATOM 0 HG SER A 4 2.310 0.644 17.392 1.00 0.00 H new ATOM 56 N SER A 5 0.714 -4.157 15.099 1.00 0.00 N ATOM 57 CA SER A 5 0.462 -4.918 13.858 1.00 0.00 C ATOM 58 C SER A 5 -0.984 -5.414 13.704 1.00 0.00 C ATOM 59 O SER A 5 -1.242 -6.512 13.208 1.00 0.00 O ATOM 60 CB SER A 5 1.526 -6.008 13.659 1.00 0.00 C ATOM 61 OG SER A 5 1.482 -6.995 14.681 1.00 0.00 O ATOM 0 H SER A 5 1.123 -4.730 15.838 1.00 0.00 H new ATOM 0 HA SER A 5 0.568 -4.216 13.030 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.379 -6.484 12.690 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.515 -5.549 13.642 1.00 0.00 H new ATOM 0 HG SER A 5 2.267 -7.577 14.608 1.00 0.00 H new ATOM 67 N ASP A 6 -1.945 -4.582 14.109 1.00 0.00 N ATOM 68 CA ASP A 6 -3.381 -4.889 14.138 1.00 0.00 C ATOM 69 C ASP A 6 -4.124 -4.471 12.846 1.00 0.00 C ATOM 70 O ASP A 6 -5.250 -3.964 12.874 1.00 0.00 O ATOM 71 CB ASP A 6 -3.988 -4.329 15.436 1.00 0.00 C ATOM 72 CG ASP A 6 -5.410 -4.850 15.720 1.00 0.00 C ATOM 73 OD1 ASP A 6 -5.659 -6.070 15.558 1.00 0.00 O ATOM 74 OD2 ASP A 6 -6.273 -4.054 16.165 1.00 0.00 O ATOM 0 H ASP A 6 -1.739 -3.639 14.439 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.513 -5.971 14.152 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.340 -4.588 16.273 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.013 -3.241 15.377 1.00 0.00 H new ATOM 79 N LYS A 7 -3.466 -4.658 11.695 1.00 0.00 N ATOM 80 CA LYS A 7 -3.959 -4.451 10.333 1.00 0.00 C ATOM 81 C LYS A 7 -3.496 -5.618 9.454 1.00 0.00 C ATOM 82 O LYS A 7 -2.763 -6.497 9.906 1.00 0.00 O ATOM 83 CB LYS A 7 -3.550 -3.059 9.801 1.00 0.00 C ATOM 84 CG LYS A 7 -2.036 -2.806 9.797 1.00 0.00 C ATOM 85 CD LYS A 7 -1.567 -2.044 11.046 1.00 0.00 C ATOM 86 CE LYS A 7 -0.039 -1.949 11.187 1.00 0.00 C ATOM 87 NZ LYS A 7 0.618 -1.194 10.086 1.00 0.00 N ATOM 0 H LYS A 7 -2.499 -4.984 11.695 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.049 -4.448 10.317 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.929 -2.945 8.785 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.033 -2.294 10.409 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.511 -3.759 9.738 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.767 -2.238 8.906 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.982 -1.036 11.021 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.973 -2.534 11.931 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.200 -1.471 12.137 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.377 -2.956 11.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.651 -1.242 10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.351 -1.611 9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.312 -0.200 10.116 1.00 0.00 H new ATOM 101 N LEU A 8 -3.895 -5.605 8.190 1.00 0.00 N ATOM 102 CA LEU A 8 -3.323 -6.455 7.143 1.00 0.00 C ATOM 103 C LEU A 8 -2.513 -5.630 6.153 1.00 0.00 C ATOM 104 O LEU A 8 -1.595 -6.164 5.535 1.00 0.00 O ATOM 105 CB LEU A 8 -4.465 -7.138 6.372 1.00 0.00 C ATOM 106 CG LEU A 8 -5.446 -7.979 7.200 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.594 -8.401 6.286 1.00 0.00 C ATOM 108 CD2 LEU A 8 -4.769 -9.215 7.790 1.00 0.00 C ATOM 0 H LEU A 8 -4.639 -4.994 7.852 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.672 -7.190 7.617 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.033 -6.367 5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.025 -7.780 5.609 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.813 -7.382 8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.307 -9.001 6.851 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.094 -7.514 5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.201 -8.989 5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.495 -9.786 8.370 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.379 -9.836 6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.949 -8.906 8.438 1.00 0.00 H new ATOM 120 N TYR A 9 -2.856 -4.350 5.998 1.00 0.00 N ATOM 121 CA TYR A 9 -2.476 -3.537 4.853 1.00 0.00 C ATOM 122 C TYR A 9 -2.007 -2.164 5.325 1.00 0.00 C ATOM 123 O TYR A 9 -2.448 -1.646 6.351 1.00 0.00 O ATOM 124 CB TYR A 9 -3.658 -3.418 3.869 1.00 0.00 C ATOM 125 CG TYR A 9 -4.304 -4.721 3.426 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.513 -5.808 3.017 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.704 -4.848 3.436 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.105 -7.040 2.679 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.306 -6.074 3.096 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.508 -7.184 2.737 1.00 0.00 C ATOM 131 OH TYR A 9 -6.085 -8.389 2.470 1.00 0.00 O ATOM 0 H TYR A 9 -3.418 -3.844 6.682 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.650 -4.017 4.327 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.425 -2.796 4.330 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.311 -2.890 2.981 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.440 -5.697 2.961 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.319 -4.002 3.705 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.487 -7.873 2.376 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.382 -6.167 3.109 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.749 -8.283 1.757 1.00 0.00 H new ATOM 141 N ARG A 10 -1.107 -1.572 4.553 1.00 0.00 N ATOM 142 CA ARG A 10 -0.477 -0.271 4.788 1.00 0.00 C ATOM 143 C ARG A 10 -0.535 0.533 3.491 1.00 0.00 C ATOM 144 O ARG A 10 -0.413 -0.060 2.423 1.00 0.00 O ATOM 145 CB ARG A 10 0.963 -0.532 5.262 1.00 0.00 C ATOM 146 CG ARG A 10 1.897 0.678 5.429 1.00 0.00 C ATOM 147 CD ARG A 10 1.575 1.474 6.698 1.00 0.00 C ATOM 148 NE ARG A 10 2.293 2.759 6.776 1.00 0.00 N ATOM 149 CZ ARG A 10 1.991 3.768 7.574 1.00 0.00 C ATOM 150 NH1 ARG A 10 1.108 3.698 8.530 1.00 0.00 N ATOM 151 NH2 ARG A 10 2.595 4.900 7.411 1.00 0.00 N ATOM 0 H ARG A 10 -0.774 -2.009 3.694 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.989 0.310 5.555 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.911 -1.049 6.220 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.428 -1.218 4.555 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.931 0.336 5.467 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.808 1.329 4.559 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.502 1.662 6.739 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.826 0.871 7.571 1.00 0.00 H new ATOM 0 HE ARG A 10 3.095 2.880 6.158 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.604 2.827 8.696 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.921 4.514 9.112 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.293 5.004 6.675 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.373 5.689 8.019 1.00 0.00 H new ATOM 165 N VAL A 11 -0.694 1.851 3.568 1.00 0.00 N ATOM 166 CA VAL A 11 -0.496 2.796 2.457 1.00 0.00 C ATOM 167 C VAL A 11 0.141 4.088 2.968 1.00 0.00 C ATOM 168 O VAL A 11 -0.191 4.556 4.057 1.00 0.00 O ATOM 169 CB VAL A 11 -1.825 3.061 1.723 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.768 4.022 2.457 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.584 3.659 0.330 1.00 0.00 C ATOM 0 H VAL A 11 -0.974 2.313 4.433 1.00 0.00 H new ATOM 0 HA VAL A 11 0.189 2.353 1.734 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.295 2.079 1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.679 4.154 1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.020 3.610 3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.277 4.986 2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.541 3.834 -0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.048 4.603 0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.992 2.965 -0.266 1.00 0.00 H new ATOM 181 N GLU A 12 1.066 4.668 2.207 1.00 0.00 N ATOM 182 CA GLU A 12 1.714 5.936 2.558 1.00 0.00 C ATOM 183 C GLU A 12 2.378 6.632 1.372 1.00 0.00 C ATOM 184 O GLU A 12 2.793 6.006 0.393 1.00 0.00 O ATOM 185 CB GLU A 12 2.763 5.720 3.669 1.00 0.00 C ATOM 186 CG GLU A 12 3.927 4.804 3.253 1.00 0.00 C ATOM 187 CD GLU A 12 4.936 4.605 4.391 1.00 0.00 C ATOM 188 OE1 GLU A 12 4.503 4.330 5.534 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.158 4.693 4.121 1.00 0.00 O ATOM 0 H GLU A 12 1.391 4.272 1.325 1.00 0.00 H new ATOM 0 HA GLU A 12 0.915 6.588 2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.164 6.688 3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.271 5.293 4.543 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.534 3.836 2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.435 5.233 2.389 1.00 0.00 H new ATOM 196 N TYR A 13 2.567 7.940 1.535 1.00 0.00 N ATOM 197 CA TYR A 13 3.619 8.675 0.848 1.00 0.00 C ATOM 198 C TYR A 13 4.968 8.276 1.464 1.00 0.00 C ATOM 199 O TYR A 13 5.198 8.455 2.662 1.00 0.00 O ATOM 200 CB TYR A 13 3.335 10.179 0.961 1.00 0.00 C ATOM 201 CG TYR A 13 1.968 10.639 0.467 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.315 9.978 -0.595 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.355 11.759 1.064 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.101 10.476 -1.103 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.125 12.243 0.578 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.493 11.615 -0.524 1.00 0.00 C ATOM 207 OH TYR A 13 -1.659 12.103 -1.020 1.00 0.00 O ATOM 0 H TYR A 13 1.993 8.518 2.149 1.00 0.00 H new ATOM 0 HA TYR A 13 3.652 8.433 -0.214 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.439 10.471 2.006 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.101 10.716 0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.749 9.085 -1.020 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.832 12.249 1.900 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.376 9.985 -1.938 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.345 13.094 1.048 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.857 11.669 -1.876 1.00 0.00 H new ATOM 217 N ALA A 14 5.835 7.676 0.653 1.00 0.00 N ATOM 218 CA ALA A 14 7.073 7.036 1.074 1.00 0.00 C ATOM 219 C ALA A 14 8.047 8.026 1.737 1.00 0.00 C ATOM 220 O ALA A 14 8.395 9.055 1.152 1.00 0.00 O ATOM 221 CB ALA A 14 7.683 6.372 -0.164 1.00 0.00 C ATOM 0 H ALA A 14 5.686 7.621 -0.355 1.00 0.00 H new ATOM 0 HA ALA A 14 6.865 6.289 1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.616 5.879 0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.986 5.634 -0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.882 7.129 -0.922 1.00 0.00 H new ATOM 227 N LYS A 15 8.508 7.697 2.951 1.00 0.00 N ATOM 228 CA LYS A 15 9.339 8.584 3.790 1.00 0.00 C ATOM 229 C LYS A 15 10.841 8.486 3.484 1.00 0.00 C ATOM 230 O LYS A 15 11.545 9.494 3.552 1.00 0.00 O ATOM 231 CB LYS A 15 9.062 8.295 5.280 1.00 0.00 C ATOM 232 CG LYS A 15 7.577 8.296 5.694 1.00 0.00 C ATOM 233 CD LYS A 15 6.852 9.625 5.423 1.00 0.00 C ATOM 234 CE LYS A 15 5.349 9.532 5.727 1.00 0.00 C ATOM 235 NZ LYS A 15 5.064 9.358 7.174 1.00 0.00 N ATOM 0 H LYS A 15 8.314 6.796 3.388 1.00 0.00 H new ATOM 0 HA LYS A 15 9.055 9.609 3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.489 7.324 5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.588 9.038 5.880 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.061 7.498 5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.507 8.066 6.757 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.297 10.412 6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.994 9.910 4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.854 10.435 5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.922 8.695 5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.037 9.403 7.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.423 8.435 7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.532 10.114 7.713 1.00 0.00 H new ATOM 249 N SER A 16 11.307 7.289 3.116 1.00 0.00 N ATOM 250 CA SER A 16 12.723 6.955 2.880 1.00 0.00 C ATOM 251 C SER A 16 12.874 5.910 1.770 1.00 0.00 C ATOM 252 O SER A 16 12.126 4.927 1.727 1.00 0.00 O ATOM 253 CB SER A 16 13.372 6.406 4.161 1.00 0.00 C ATOM 254 OG SER A 16 13.325 7.356 5.214 1.00 0.00 O ATOM 0 H SER A 16 10.688 6.492 2.967 1.00 0.00 H new ATOM 0 HA SER A 16 13.221 7.875 2.576 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.859 5.494 4.468 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.408 6.136 3.959 1.00 0.00 H new ATOM 0 HG SER A 16 13.744 6.977 6.015 1.00 0.00 H new ATOM 260 N GLY A 17 13.871 6.092 0.899 1.00 0.00 N ATOM 261 CA GLY A 17 14.189 5.215 -0.239 1.00 0.00 C ATOM 262 C GLY A 17 14.990 3.962 0.142 1.00 0.00 C ATOM 263 O GLY A 17 16.034 3.695 -0.454 1.00 0.00 O ATOM 0 H GLY A 17 14.507 6.887 0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.259 4.908 -0.718 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.754 5.785 -0.976 1.00 0.00 H new ATOM 267 N ARG A 18 14.540 3.227 1.169 1.00 0.00 N ATOM 268 CA ARG A 18 15.186 2.004 1.696 1.00 0.00 C ATOM 269 C ARG A 18 14.386 0.715 1.438 1.00 0.00 C ATOM 270 O ARG A 18 14.943 -0.377 1.555 1.00 0.00 O ATOM 271 CB ARG A 18 15.442 2.167 3.206 1.00 0.00 C ATOM 272 CG ARG A 18 16.364 3.331 3.611 1.00 0.00 C ATOM 273 CD ARG A 18 17.820 3.179 3.143 1.00 0.00 C ATOM 274 NE ARG A 18 18.683 4.141 3.860 1.00 0.00 N ATOM 275 CZ ARG A 18 19.967 4.012 4.146 1.00 0.00 C ATOM 276 NH1 ARG A 18 20.722 3.096 3.615 1.00 0.00 N ATOM 277 NH2 ARG A 18 20.533 4.832 4.984 1.00 0.00 N ATOM 0 H ARG A 18 13.689 3.471 1.676 1.00 0.00 H new ATOM 0 HA ARG A 18 16.125 1.892 1.153 1.00 0.00 H new ATOM 0 HB2 ARG A 18 14.482 2.299 3.705 1.00 0.00 H new ATOM 0 HB3 ARG A 18 15.873 1.240 3.584 1.00 0.00 H new ATOM 0 HG2 ARG A 18 15.959 4.258 3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 18 16.352 3.427 4.697 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.165 2.161 3.326 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.885 3.350 2.068 1.00 0.00 H new ATOM 0 HE ARG A 18 18.236 5.004 4.170 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.328 2.436 2.945 1.00 0.00 H new ATOM 0 HH12 ARG A 18 21.708 3.038 3.869 1.00 0.00 H new ATOM 0 HH21 ARG A 18 19.986 5.574 5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 18 21.524 4.732 5.205 1.00 0.00 H new ATOM 291 N ALA A 19 13.098 0.827 1.105 1.00 0.00 N ATOM 292 CA ALA A 19 12.197 -0.305 0.893 1.00 0.00 C ATOM 293 C ALA A 19 12.378 -0.947 -0.496 1.00 0.00 C ATOM 294 O ALA A 19 12.707 -0.269 -1.475 1.00 0.00 O ATOM 295 CB ALA A 19 10.755 0.165 1.125 1.00 0.00 C ATOM 0 H ALA A 19 12.643 1.730 0.972 1.00 0.00 H new ATOM 0 HA ALA A 19 12.441 -1.090 1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.071 -0.669 0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.652 0.534 2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.516 0.965 0.424 1.00 0.00 H new ATOM 301 N SER A 20 12.108 -2.249 -0.593 1.00 0.00 N ATOM 302 CA SER A 20 12.193 -3.035 -1.830 1.00 0.00 C ATOM 303 C SER A 20 10.841 -3.658 -2.169 1.00 0.00 C ATOM 304 O SER A 20 10.136 -4.151 -1.287 1.00 0.00 O ATOM 305 CB SER A 20 13.310 -4.082 -1.762 1.00 0.00 C ATOM 306 OG SER A 20 13.150 -4.963 -0.658 1.00 0.00 O ATOM 0 H SER A 20 11.815 -2.805 0.210 1.00 0.00 H new ATOM 0 HA SER A 20 12.455 -2.356 -2.642 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.323 -4.659 -2.687 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.274 -3.579 -1.687 1.00 0.00 H new ATOM 0 HG SER A 20 13.881 -5.616 -0.652 1.00 0.00 H new ATOM 312 N CYS A 21 10.469 -3.601 -3.449 1.00 0.00 N ATOM 313 CA CYS A 21 9.163 -4.026 -3.934 1.00 0.00 C ATOM 314 C CYS A 21 9.100 -5.554 -4.073 1.00 0.00 C ATOM 315 O CYS A 21 9.818 -6.155 -4.879 1.00 0.00 O ATOM 316 CB CYS A 21 8.908 -3.293 -5.247 1.00 0.00 C ATOM 317 SG CYS A 21 7.195 -3.561 -5.814 1.00 0.00 S ATOM 0 H CYS A 21 11.080 -3.252 -4.187 1.00 0.00 H new ATOM 0 HA CYS A 21 8.375 -3.771 -3.226 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.090 -2.226 -5.115 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.607 -3.644 -6.007 1.00 0.00 H new ATOM 322 N LYS A 22 8.240 -6.201 -3.279 1.00 0.00 N ATOM 323 CA LYS A 22 8.199 -7.674 -3.161 1.00 0.00 C ATOM 324 C LYS A 22 7.539 -8.383 -4.358 1.00 0.00 C ATOM 325 O LYS A 22 7.524 -9.616 -4.388 1.00 0.00 O ATOM 326 CB LYS A 22 7.553 -8.096 -1.825 1.00 0.00 C ATOM 327 CG LYS A 22 8.043 -7.341 -0.581 1.00 0.00 C ATOM 328 CD LYS A 22 9.539 -7.461 -0.253 1.00 0.00 C ATOM 329 CE LYS A 22 9.941 -8.905 0.072 1.00 0.00 C ATOM 330 NZ LYS A 22 11.380 -8.998 0.437 1.00 0.00 N ATOM 0 H LYS A 22 7.551 -5.724 -2.698 1.00 0.00 H new ATOM 0 HA LYS A 22 9.237 -8.006 -3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.474 -7.964 -1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.733 -9.161 -1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.805 -6.285 -0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.475 -7.696 0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.126 -7.103 -1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.777 -6.819 0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.331 -9.278 0.894 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.740 -9.543 -0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.621 -9.987 0.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.962 -8.664 -0.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.565 -8.408 1.273 1.00 0.00 H new ATOM 344 N LYS A 23 7.003 -7.635 -5.337 1.00 0.00 N ATOM 345 CA LYS A 23 6.324 -8.166 -6.538 1.00 0.00 C ATOM 346 C LYS A 23 7.128 -7.967 -7.829 1.00 0.00 C ATOM 347 O LYS A 23 7.332 -8.948 -8.547 1.00 0.00 O ATOM 348 CB LYS A 23 4.901 -7.583 -6.621 1.00 0.00 C ATOM 349 CG LYS A 23 4.067 -8.042 -7.831 1.00 0.00 C ATOM 350 CD LYS A 23 3.878 -9.567 -7.913 1.00 0.00 C ATOM 351 CE LYS A 23 3.009 -9.931 -9.121 1.00 0.00 C ATOM 352 NZ LYS A 23 2.850 -11.404 -9.267 1.00 0.00 N ATOM 0 H LYS A 23 7.029 -6.616 -5.317 1.00 0.00 H new ATOM 0 HA LYS A 23 6.250 -9.249 -6.434 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.365 -7.849 -5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.973 -6.496 -6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.088 -7.566 -7.787 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.549 -7.695 -8.745 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.848 -10.057 -7.994 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.412 -9.932 -6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.028 -9.469 -9.015 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.457 -9.523 -10.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.256 -11.609 -10.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.784 -11.843 -9.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.399 -11.791 -8.413 1.00 0.00 H new ATOM 366 N CYS A 24 7.595 -6.746 -8.119 1.00 0.00 N ATOM 367 CA CYS A 24 8.390 -6.458 -9.328 1.00 0.00 C ATOM 368 C CYS A 24 9.924 -6.531 -9.115 1.00 0.00 C ATOM 369 O CYS A 24 10.691 -6.468 -10.081 1.00 0.00 O ATOM 370 CB CYS A 24 7.886 -5.174 -10.010 1.00 0.00 C ATOM 371 SG CYS A 24 8.480 -3.638 -9.206 1.00 0.00 S ATOM 0 H CYS A 24 7.435 -5.931 -7.527 1.00 0.00 H new ATOM 0 HA CYS A 24 8.221 -7.271 -10.034 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.205 -5.176 -11.052 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.796 -5.176 -10.011 1.00 0.00 H new ATOM 376 N SER A 25 10.368 -6.740 -7.868 1.00 0.00 N ATOM 377 CA SER A 25 11.775 -6.884 -7.445 1.00 0.00 C ATOM 378 C SER A 25 12.664 -5.650 -7.692 1.00 0.00 C ATOM 379 O SER A 25 13.894 -5.746 -7.655 1.00 0.00 O ATOM 380 CB SER A 25 12.402 -8.184 -7.977 1.00 0.00 C ATOM 381 OG SER A 25 11.626 -9.317 -7.602 1.00 0.00 O ATOM 0 H SER A 25 9.723 -6.818 -7.082 1.00 0.00 H new ATOM 0 HA SER A 25 11.732 -6.957 -6.358 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.480 -8.136 -9.063 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.415 -8.288 -7.589 1.00 0.00 H new ATOM 0 HG SER A 25 12.044 -10.131 -7.953 1.00 0.00 H new ATOM 387 N GLU A 26 12.056 -4.480 -7.905 1.00 0.00 N ATOM 388 CA GLU A 26 12.726 -3.170 -7.918 1.00 0.00 C ATOM 389 C GLU A 26 12.736 -2.561 -6.496 1.00 0.00 C ATOM 390 O GLU A 26 12.374 -3.228 -5.523 1.00 0.00 O ATOM 391 CB GLU A 26 12.033 -2.249 -8.946 1.00 0.00 C ATOM 392 CG GLU A 26 11.972 -2.777 -10.393 1.00 0.00 C ATOM 393 CD GLU A 26 13.328 -2.736 -11.129 1.00 0.00 C ATOM 394 OE1 GLU A 26 14.294 -3.414 -10.702 1.00 0.00 O ATOM 395 OE2 GLU A 26 13.432 -2.044 -12.171 1.00 0.00 O ATOM 0 H GLU A 26 11.053 -4.413 -8.079 1.00 0.00 H new ATOM 0 HA GLU A 26 13.766 -3.286 -8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.015 -2.060 -8.606 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.551 -1.290 -8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.607 -3.804 -10.380 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.247 -2.188 -10.954 1.00 0.00 H new ATOM 402 N SER A 27 13.134 -1.293 -6.348 1.00 0.00 N ATOM 403 CA SER A 27 13.186 -0.601 -5.048 1.00 0.00 C ATOM 404 C SER A 27 12.393 0.706 -5.046 1.00 0.00 C ATOM 405 O SER A 27 12.323 1.401 -6.058 1.00 0.00 O ATOM 406 CB SER A 27 14.626 -0.369 -4.601 1.00 0.00 C ATOM 407 OG SER A 27 15.364 -1.584 -4.594 1.00 0.00 O ATOM 0 H SER A 27 13.432 -0.710 -7.130 1.00 0.00 H new ATOM 0 HA SER A 27 12.707 -1.262 -4.325 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.106 0.347 -5.268 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.634 0.070 -3.603 1.00 0.00 H new ATOM 0 HG SER A 27 16.284 -1.407 -4.306 1.00 0.00 H new ATOM 413 N ILE A 28 11.757 1.033 -3.921 1.00 0.00 N ATOM 414 CA ILE A 28 10.686 2.036 -3.854 1.00 0.00 C ATOM 415 C ILE A 28 11.258 3.393 -3.389 1.00 0.00 C ATOM 416 O ILE A 28 11.759 3.478 -2.262 1.00 0.00 O ATOM 417 CB ILE A 28 9.537 1.547 -2.941 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.068 0.106 -3.271 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.350 2.525 -3.040 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.172 -0.499 -2.185 1.00 0.00 C ATOM 0 H ILE A 28 11.971 0.606 -3.019 1.00 0.00 H new ATOM 0 HA ILE A 28 10.266 2.178 -4.850 1.00 0.00 H new ATOM 0 HB ILE A 28 9.924 1.522 -1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.527 0.114 -4.217 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.942 -0.531 -3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.540 2.181 -2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.669 3.518 -2.722 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.000 2.569 -4.071 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.878 -1.507 -2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.718 -0.538 -1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.281 0.118 -2.063 1.00 0.00 H new ATOM 432 N PRO A 29 11.181 4.465 -4.205 1.00 0.00 N ATOM 433 CA PRO A 29 11.706 5.784 -3.848 1.00 0.00 C ATOM 434 C PRO A 29 10.833 6.500 -2.805 1.00 0.00 C ATOM 435 O PRO A 29 9.631 6.243 -2.702 1.00 0.00 O ATOM 436 CB PRO A 29 11.753 6.567 -5.164 1.00 0.00 C ATOM 437 CG PRO A 29 10.592 5.977 -5.963 1.00 0.00 C ATOM 438 CD PRO A 29 10.574 4.511 -5.531 1.00 0.00 C ATOM 0 HA PRO A 29 12.688 5.701 -3.383 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.626 7.637 -5.000 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.705 6.433 -5.678 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.651 6.476 -5.732 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.751 6.078 -7.037 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.554 4.126 -5.505 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.131 3.892 -6.235 1.00 0.00 H new ATOM 446 N LYS A 30 11.425 7.455 -2.073 1.00 0.00 N ATOM 447 CA LYS A 30 10.671 8.425 -1.255 1.00 0.00 C ATOM 448 C LYS A 30 9.891 9.428 -2.120 1.00 0.00 C ATOM 449 O LYS A 30 10.178 9.591 -3.307 1.00 0.00 O ATOM 450 CB LYS A 30 11.557 9.086 -0.193 1.00 0.00 C ATOM 451 CG LYS A 30 12.679 9.940 -0.778 1.00 0.00 C ATOM 452 CD LYS A 30 13.471 10.612 0.347 1.00 0.00 C ATOM 453 CE LYS A 30 14.655 11.320 -0.303 1.00 0.00 C ATOM 454 NZ LYS A 30 15.474 12.068 0.687 1.00 0.00 N ATOM 0 H LYS A 30 12.436 7.579 -2.029 1.00 0.00 H new ATOM 0 HA LYS A 30 9.913 7.869 -0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.935 9.709 0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.993 8.311 0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.343 9.319 -1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.262 10.697 -1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.846 11.323 0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.814 9.874 1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.281 10.586 -0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.291 12.009 -1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.267 12.533 0.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.884 12.787 1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.844 11.408 1.400 1.00 0.00 H new ATOM 468 N ASP A 31 8.901 10.092 -1.523 1.00 0.00 N ATOM 469 CA ASP A 31 7.957 11.000 -2.200 1.00 0.00 C ATOM 470 C ASP A 31 7.193 10.336 -3.376 1.00 0.00 C ATOM 471 O ASP A 31 6.956 10.935 -4.428 1.00 0.00 O ATOM 472 CB ASP A 31 8.646 12.338 -2.534 1.00 0.00 C ATOM 473 CG ASP A 31 7.656 13.449 -2.935 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.607 13.605 -2.264 1.00 0.00 O ATOM 475 OD2 ASP A 31 7.951 14.211 -3.888 1.00 0.00 O ATOM 0 H ASP A 31 8.723 10.014 -0.522 1.00 0.00 H new ATOM 0 HA ASP A 31 7.153 11.238 -1.503 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.222 12.668 -1.669 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.354 12.181 -3.347 1.00 0.00 H new ATOM 480 N SER A 32 6.815 9.067 -3.185 1.00 0.00 N ATOM 481 CA SER A 32 5.998 8.236 -4.082 1.00 0.00 C ATOM 482 C SER A 32 4.977 7.440 -3.257 1.00 0.00 C ATOM 483 O SER A 32 5.135 7.313 -2.043 1.00 0.00 O ATOM 484 CB SER A 32 6.911 7.308 -4.892 1.00 0.00 C ATOM 485 OG SER A 32 6.187 6.665 -5.930 1.00 0.00 O ATOM 0 H SER A 32 7.089 8.558 -2.345 1.00 0.00 H new ATOM 0 HA SER A 32 5.449 8.867 -4.781 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.734 7.882 -5.319 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.352 6.560 -4.233 1.00 0.00 H new ATOM 0 HG SER A 32 6.789 6.079 -6.435 1.00 0.00 H new ATOM 491 N LEU A 33 3.913 6.915 -3.870 1.00 0.00 N ATOM 492 CA LEU A 33 2.844 6.201 -3.165 1.00 0.00 C ATOM 493 C LEU A 33 3.177 4.703 -3.092 1.00 0.00 C ATOM 494 O LEU A 33 3.387 4.051 -4.121 1.00 0.00 O ATOM 495 CB LEU A 33 1.496 6.494 -3.850 1.00 0.00 C ATOM 496 CG LEU A 33 0.276 5.925 -3.100 1.00 0.00 C ATOM 497 CD1 LEU A 33 -0.031 6.661 -1.798 1.00 0.00 C ATOM 498 CD2 LEU A 33 -0.970 6.033 -3.978 1.00 0.00 C ATOM 0 H LEU A 33 3.768 6.974 -4.878 1.00 0.00 H new ATOM 0 HA LEU A 33 2.761 6.550 -2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.378 7.573 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.515 6.081 -4.858 1.00 0.00 H new ATOM 0 HG LEU A 33 0.528 4.891 -2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.901 6.209 -1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.827 6.590 -1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.238 7.709 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.829 5.629 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.154 7.079 -4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.817 5.468 -4.897 1.00 0.00 H new ATOM 510 N ARG A 34 3.207 4.153 -1.876 1.00 0.00 N ATOM 511 CA ARG A 34 3.539 2.749 -1.602 1.00 0.00 C ATOM 512 C ARG A 34 2.551 2.115 -0.636 1.00 0.00 C ATOM 513 O ARG A 34 1.915 2.804 0.159 1.00 0.00 O ATOM 514 CB ARG A 34 5.006 2.616 -1.157 1.00 0.00 C ATOM 515 CG ARG A 34 5.367 3.176 0.232 1.00 0.00 C ATOM 516 CD ARG A 34 6.858 2.916 0.505 1.00 0.00 C ATOM 517 NE ARG A 34 7.308 3.486 1.789 1.00 0.00 N ATOM 518 CZ ARG A 34 8.546 3.746 2.165 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.581 3.572 1.391 1.00 0.00 N ATOM 520 NH2 ARG A 34 8.744 4.231 3.352 1.00 0.00 N ATOM 0 H ARG A 34 2.996 4.684 -1.031 1.00 0.00 H new ATOM 0 HA ARG A 34 3.442 2.181 -2.527 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.272 1.559 -1.176 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.631 3.115 -1.897 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.158 4.245 0.273 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.755 2.702 1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.042 1.842 0.505 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.451 3.341 -0.305 1.00 0.00 H new ATOM 0 HE ARG A 34 6.577 3.705 2.465 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.455 3.218 0.443 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.517 3.790 1.734 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.952 4.403 3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.692 4.440 3.666 1.00 0.00 H new ATOM 534 N MET A 35 2.436 0.797 -0.718 1.00 0.00 N ATOM 535 CA MET A 35 1.608 -0.050 0.138 1.00 0.00 C ATOM 536 C MET A 35 2.453 -1.137 0.796 1.00 0.00 C ATOM 537 O MET A 35 3.566 -1.405 0.357 1.00 0.00 O ATOM 538 CB MET A 35 0.424 -0.636 -0.655 1.00 0.00 C ATOM 539 CG MET A 35 -0.613 0.441 -0.988 1.00 0.00 C ATOM 540 SD MET A 35 -2.121 -0.107 -1.838 1.00 0.00 S ATOM 541 CE MET A 35 -2.986 -0.931 -0.469 1.00 0.00 C ATOM 0 H MET A 35 2.944 0.258 -1.420 1.00 0.00 H new ATOM 0 HA MET A 35 1.188 0.562 0.936 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.790 -1.088 -1.577 1.00 0.00 H new ATOM 0 HB3 MET A 35 -0.047 -1.430 -0.075 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.906 0.929 -0.058 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.130 1.197 -1.607 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.876 -1.433 -0.850 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.324 -1.665 -0.010 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.278 -0.190 0.275 1.00 0.00 H new ATOM 551 N ALA A 36 1.959 -1.739 1.874 1.00 0.00 N ATOM 552 CA ALA A 36 2.645 -2.839 2.558 1.00 0.00 C ATOM 553 C ALA A 36 1.661 -3.871 3.122 1.00 0.00 C ATOM 554 O ALA A 36 0.464 -3.593 3.217 1.00 0.00 O ATOM 555 CB ALA A 36 3.594 -2.289 3.636 1.00 0.00 C ATOM 0 H ALA A 36 1.070 -1.480 2.301 1.00 0.00 H new ATOM 0 HA ALA A 36 3.247 -3.371 1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.096 -3.117 4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.337 -1.642 3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.022 -1.718 4.367 1.00 0.00 H new ATOM 561 N ILE A 37 2.166 -5.045 3.517 1.00 0.00 N ATOM 562 CA ILE A 37 1.363 -6.140 4.077 1.00 0.00 C ATOM 563 C ILE A 37 1.943 -6.655 5.389 1.00 0.00 C ATOM 564 O ILE A 37 3.153 -6.833 5.490 1.00 0.00 O ATOM 565 CB ILE A 37 1.200 -7.246 3.010 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.145 -6.999 2.313 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.266 -8.683 3.545 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.348 -7.785 1.024 1.00 0.00 C ATOM 0 H ILE A 37 3.160 -5.265 3.456 1.00 0.00 H new ATOM 0 HA ILE A 37 0.371 -5.768 4.332 1.00 0.00 H new ATOM 0 HB ILE A 37 2.048 -7.176 2.329 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.949 -7.249 3.005 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.234 -5.935 2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.141 -9.384 2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.232 -8.850 4.020 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.471 -8.836 4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.325 -7.547 0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.430 -7.519 0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.295 -8.853 1.237 1.00 0.00 H new ATOM 580 N MET A 38 1.087 -6.945 6.373 1.00 0.00 N ATOM 581 CA MET A 38 1.514 -7.568 7.627 1.00 0.00 C ATOM 582 C MET A 38 1.682 -9.081 7.487 1.00 0.00 C ATOM 583 O MET A 38 0.729 -9.796 7.167 1.00 0.00 O ATOM 584 CB MET A 38 0.544 -7.239 8.775 1.00 0.00 C ATOM 585 CG MET A 38 0.401 -5.749 9.111 1.00 0.00 C ATOM 586 SD MET A 38 1.664 -4.979 10.164 1.00 0.00 S ATOM 587 CE MET A 38 3.114 -5.097 9.099 1.00 0.00 C ATOM 0 H MET A 38 0.086 -6.756 6.323 1.00 0.00 H new ATOM 0 HA MET A 38 2.490 -7.147 7.870 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.440 -7.632 8.520 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.876 -7.765 9.670 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.371 -5.198 8.171 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.566 -5.608 9.594 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.780 -4.257 9.296 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.639 -6.031 9.301 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.801 -5.075 8.055 1.00 0.00 H new ATOM 597 N VAL A 39 2.883 -9.571 7.800 1.00 0.00 N ATOM 598 CA VAL A 39 3.173 -11.010 7.947 1.00 0.00 C ATOM 599 C VAL A 39 4.048 -11.289 9.170 1.00 0.00 C ATOM 600 O VAL A 39 4.941 -10.516 9.505 1.00 0.00 O ATOM 601 CB VAL A 39 3.767 -11.589 6.648 1.00 0.00 C ATOM 602 CG1 VAL A 39 5.099 -10.945 6.256 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.942 -13.111 6.696 1.00 0.00 C ATOM 0 H VAL A 39 3.696 -8.977 7.962 1.00 0.00 H new ATOM 0 HA VAL A 39 2.230 -11.527 8.124 1.00 0.00 H new ATOM 0 HB VAL A 39 3.027 -11.346 5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.464 -11.397 5.334 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.955 -9.875 6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.828 -11.104 7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.364 -13.459 5.753 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.614 -13.374 7.513 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.973 -13.584 6.856 1.00 0.00 H new ATOM 613 N GLN A 40 3.784 -12.403 9.850 1.00 0.00 N ATOM 614 CA GLN A 40 4.579 -12.908 10.975 1.00 0.00 C ATOM 615 C GLN A 40 5.929 -13.467 10.491 1.00 0.00 C ATOM 616 O GLN A 40 5.980 -14.309 9.592 1.00 0.00 O ATOM 617 CB GLN A 40 3.768 -13.933 11.793 1.00 0.00 C ATOM 618 CG GLN A 40 2.879 -14.866 10.948 1.00 0.00 C ATOM 619 CD GLN A 40 2.278 -15.993 11.787 1.00 0.00 C ATOM 620 OE1 GLN A 40 1.149 -15.923 12.257 1.00 0.00 O ATOM 621 NE2 GLN A 40 3.004 -17.066 12.022 1.00 0.00 N ATOM 0 H GLN A 40 2.987 -13.000 9.629 1.00 0.00 H new ATOM 0 HA GLN A 40 4.810 -12.078 11.643 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.459 -14.541 12.377 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.138 -13.396 12.502 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.077 -14.287 10.490 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.468 -15.292 10.136 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.946 -17.139 11.637 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.624 -17.824 12.589 1.00 0.00 H new ATOM 630 N SER A 41 7.028 -12.987 11.078 1.00 0.00 N ATOM 631 CA SER A 41 8.391 -13.240 10.609 1.00 0.00 C ATOM 632 C SER A 41 9.057 -14.443 11.279 1.00 0.00 C ATOM 633 O SER A 41 8.917 -14.631 12.491 1.00 0.00 O ATOM 634 CB SER A 41 9.243 -11.987 10.808 1.00 0.00 C ATOM 635 OG SER A 41 10.550 -12.185 10.295 1.00 0.00 O ATOM 0 H SER A 41 6.993 -12.399 11.911 1.00 0.00 H new ATOM 0 HA SER A 41 8.318 -13.486 9.550 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.775 -11.139 10.308 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.296 -11.742 11.869 1.00 0.00 H new ATOM 0 HG SER A 41 11.081 -11.372 10.429 1.00 0.00 H new ATOM 641 N PRO A 42 9.841 -15.232 10.519 1.00 0.00 N ATOM 642 CA PRO A 42 10.747 -16.226 11.072 1.00 0.00 C ATOM 643 C PRO A 42 12.093 -15.620 11.529 1.00 0.00 C ATOM 644 O PRO A 42 12.853 -16.288 12.234 1.00 0.00 O ATOM 645 CB PRO A 42 10.920 -17.251 9.948 1.00 0.00 C ATOM 646 CG PRO A 42 10.860 -16.385 8.691 1.00 0.00 C ATOM 647 CD PRO A 42 9.860 -15.289 9.064 1.00 0.00 C ATOM 0 HA PRO A 42 10.347 -16.677 11.980 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.868 -17.783 10.028 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.130 -18.002 9.960 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.837 -15.970 8.442 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.526 -16.956 7.825 1.00 0.00 H new ATOM 0 HD2 PRO A 42 10.159 -14.330 8.641 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.869 -15.516 8.671 1.00 0.00 H new ATOM 655 N MET A 43 12.401 -14.372 11.139 1.00 0.00 N ATOM 656 CA MET A 43 13.653 -13.664 11.467 1.00 0.00 C ATOM 657 C MET A 43 13.499 -12.649 12.615 1.00 0.00 C ATOM 658 O MET A 43 14.443 -12.430 13.377 1.00 0.00 O ATOM 659 CB MET A 43 14.194 -12.950 10.224 1.00 0.00 C ATOM 660 CG MET A 43 14.742 -13.940 9.186 1.00 0.00 C ATOM 661 SD MET A 43 14.728 -13.293 7.497 1.00 0.00 S ATOM 662 CE MET A 43 12.955 -13.502 7.191 1.00 0.00 C ATOM 0 H MET A 43 11.768 -13.810 10.570 1.00 0.00 H new ATOM 0 HA MET A 43 14.355 -14.425 11.807 1.00 0.00 H new ATOM 0 HB2 MET A 43 13.400 -12.354 9.773 1.00 0.00 H new ATOM 0 HB3 MET A 43 14.984 -12.258 10.518 1.00 0.00 H new ATOM 0 HG2 MET A 43 15.763 -14.209 9.455 1.00 0.00 H new ATOM 0 HG3 MET A 43 14.151 -14.856 9.221 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.545 -12.578 6.784 1.00 0.00 H new ATOM 0 HE2 MET A 43 12.802 -14.312 6.478 1.00 0.00 H new ATOM 0 HE3 MET A 43 12.450 -13.742 8.127 1.00 0.00 H new ATOM 672 N PHE A 44 12.320 -12.031 12.739 1.00 0.00 N ATOM 673 CA PHE A 44 11.983 -11.001 13.729 1.00 0.00 C ATOM 674 C PHE A 44 10.976 -11.520 14.774 1.00 0.00 C ATOM 675 O PHE A 44 10.204 -12.446 14.521 1.00 0.00 O ATOM 676 CB PHE A 44 11.486 -9.746 12.989 1.00 0.00 C ATOM 677 CG PHE A 44 11.015 -8.620 13.892 1.00 0.00 C ATOM 678 CD1 PHE A 44 11.949 -7.858 14.620 1.00 0.00 C ATOM 679 CD2 PHE A 44 9.638 -8.357 14.032 1.00 0.00 C ATOM 680 CE1 PHE A 44 11.506 -6.843 15.488 1.00 0.00 C ATOM 681 CE2 PHE A 44 9.196 -7.340 14.896 1.00 0.00 C ATOM 682 CZ PHE A 44 10.131 -6.585 15.627 1.00 0.00 C ATOM 0 H PHE A 44 11.536 -12.245 12.122 1.00 0.00 H new ATOM 0 HA PHE A 44 12.874 -10.735 14.298 1.00 0.00 H new ATOM 0 HB2 PHE A 44 12.290 -9.373 12.355 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.666 -10.031 12.329 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.006 -8.053 14.512 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.920 -8.939 13.474 1.00 0.00 H new ATOM 0 HE1 PHE A 44 12.223 -6.261 16.048 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.140 -7.139 14.998 1.00 0.00 H new ATOM 0 HZ PHE A 44 9.793 -5.807 16.295 1.00 0.00 H new ATOM 692 N ASP A 45 10.972 -10.909 15.958 1.00 0.00 N ATOM 693 CA ASP A 45 10.180 -11.316 17.133 1.00 0.00 C ATOM 694 C ASP A 45 8.737 -10.758 17.104 1.00 0.00 C ATOM 695 O ASP A 45 8.254 -10.145 18.060 1.00 0.00 O ATOM 696 CB ASP A 45 10.967 -10.962 18.408 1.00 0.00 C ATOM 697 CG ASP A 45 10.345 -11.548 19.690 1.00 0.00 C ATOM 698 OD1 ASP A 45 9.892 -12.719 19.674 1.00 0.00 O ATOM 699 OD2 ASP A 45 10.353 -10.859 20.739 1.00 0.00 O ATOM 0 H ASP A 45 11.542 -10.082 16.139 1.00 0.00 H new ATOM 0 HA ASP A 45 10.036 -12.396 17.118 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.989 -11.327 18.309 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.023 -9.878 18.503 1.00 0.00 H new ATOM 704 N GLY A 46 8.054 -10.929 15.967 1.00 0.00 N ATOM 705 CA GLY A 46 6.716 -10.394 15.696 1.00 0.00 C ATOM 706 C GLY A 46 6.417 -10.305 14.201 1.00 0.00 C ATOM 707 O GLY A 46 6.866 -11.145 13.413 1.00 0.00 O ATOM 0 H GLY A 46 8.431 -11.462 15.183 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.970 -11.028 16.176 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.627 -9.403 16.141 1.00 0.00 H new ATOM 711 N LYS A 47 5.648 -9.285 13.804 1.00 0.00 N ATOM 712 CA LYS A 47 5.185 -9.091 12.421 1.00 0.00 C ATOM 713 C LYS A 47 5.891 -7.927 11.733 1.00 0.00 C ATOM 714 O LYS A 47 6.275 -6.948 12.375 1.00 0.00 O ATOM 715 CB LYS A 47 3.652 -8.973 12.355 1.00 0.00 C ATOM 716 CG LYS A 47 2.953 -10.094 13.149 1.00 0.00 C ATOM 717 CD LYS A 47 1.702 -10.658 12.470 1.00 0.00 C ATOM 718 CE LYS A 47 0.588 -9.643 12.183 1.00 0.00 C ATOM 719 NZ LYS A 47 -0.020 -9.089 13.422 1.00 0.00 N ATOM 0 H LYS A 47 5.324 -8.559 14.443 1.00 0.00 H new ATOM 0 HA LYS A 47 5.461 -9.983 11.859 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.345 -8.004 12.749 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.330 -9.010 11.314 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.662 -10.906 13.311 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.678 -9.711 14.132 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.999 -11.120 11.529 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.295 -11.449 13.099 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.992 -8.826 11.585 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.188 -10.121 11.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.852 -8.516 13.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.310 -9.869 14.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.676 -8.494 13.914 1.00 0.00 H new ATOM 733 N VAL A 48 6.063 -8.057 10.421 1.00 0.00 N ATOM 734 CA VAL A 48 6.868 -7.170 9.570 1.00 0.00 C ATOM 735 C VAL A 48 6.094 -6.727 8.319 1.00 0.00 C ATOM 736 O VAL A 48 5.283 -7.506 7.807 1.00 0.00 O ATOM 737 CB VAL A 48 8.196 -7.842 9.165 1.00 0.00 C ATOM 738 CG1 VAL A 48 9.076 -8.111 10.394 1.00 0.00 C ATOM 739 CG2 VAL A 48 8.010 -9.161 8.401 1.00 0.00 C ATOM 0 H VAL A 48 5.629 -8.814 9.894 1.00 0.00 H new ATOM 0 HA VAL A 48 7.094 -6.281 10.159 1.00 0.00 H new ATOM 0 HB VAL A 48 8.681 -7.132 8.495 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.006 -8.585 10.079 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.300 -7.169 10.894 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.548 -8.770 11.083 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.986 -9.576 8.149 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.464 -9.869 9.025 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.447 -8.975 7.486 1.00 0.00 H new ATOM 749 N PRO A 49 6.317 -5.497 7.812 1.00 0.00 N ATOM 750 CA PRO A 49 5.654 -5.003 6.609 1.00 0.00 C ATOM 751 C PRO A 49 6.373 -5.441 5.320 1.00 0.00 C ATOM 752 O PRO A 49 7.578 -5.240 5.161 1.00 0.00 O ATOM 753 CB PRO A 49 5.634 -3.478 6.761 1.00 0.00 C ATOM 754 CG PRO A 49 6.905 -3.190 7.559 1.00 0.00 C ATOM 755 CD PRO A 49 7.054 -4.417 8.459 1.00 0.00 C ATOM 0 HA PRO A 49 4.649 -5.415 6.514 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.644 -2.977 5.793 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.742 -3.137 7.287 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.768 -3.066 6.906 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.812 -2.274 8.143 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.104 -4.683 8.582 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.657 -4.218 9.455 1.00 0.00 H new ATOM 763 N HIS A 50 5.626 -6.004 4.366 1.00 0.00 N ATOM 764 CA HIS A 50 6.096 -6.325 3.010 1.00 0.00 C ATOM 765 C HIS A 50 5.693 -5.212 2.054 1.00 0.00 C ATOM 766 O HIS A 50 4.541 -5.172 1.642 1.00 0.00 O ATOM 767 CB HIS A 50 5.543 -7.697 2.581 1.00 0.00 C ATOM 768 CG HIS A 50 6.354 -8.860 3.099 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.528 -10.086 2.451 1.00 0.00 N ATOM 770 CD2 HIS A 50 7.053 -8.880 4.269 1.00 0.00 C ATOM 771 CE1 HIS A 50 7.321 -10.817 3.253 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.668 -10.110 4.343 1.00 0.00 N ATOM 0 H HIS A 50 4.650 -6.257 4.517 1.00 0.00 H new ATOM 0 HA HIS A 50 7.184 -6.393 2.992 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.517 -7.793 2.935 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.510 -7.743 1.492 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.113 -8.085 4.997 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.635 -11.830 3.050 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.280 -10.429 5.094 1.00 0.00 H new ATOM 780 N TRP A 51 6.613 -4.293 1.746 1.00 0.00 N ATOM 781 CA TRP A 51 6.340 -3.091 0.949 1.00 0.00 C ATOM 782 C TRP A 51 6.272 -3.397 -0.553 1.00 0.00 C ATOM 783 O TRP A 51 7.083 -4.145 -1.091 1.00 0.00 O ATOM 784 CB TRP A 51 7.421 -2.031 1.190 1.00 0.00 C ATOM 785 CG TRP A 51 7.568 -1.564 2.603 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.469 -2.039 3.492 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.790 -0.552 3.317 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.295 -1.410 4.707 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.249 -0.514 4.668 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.721 0.312 2.976 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.662 0.305 5.640 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.114 1.128 3.955 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.588 1.130 5.279 1.00 0.00 C ATOM 0 H TRP A 51 7.585 -4.364 2.048 1.00 0.00 H new ATOM 0 HA TRP A 51 5.368 -2.716 1.269 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.378 -2.433 0.858 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.203 -1.167 0.562 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.211 -2.795 3.283 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.869 -1.586 5.532 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.366 0.347 1.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.032 0.301 6.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.278 1.756 3.685 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.124 1.767 6.018 1.00 0.00 H new ATOM 804 N TYR A 52 5.363 -2.750 -1.266 1.00 0.00 N ATOM 805 CA TYR A 52 5.302 -2.754 -2.722 1.00 0.00 C ATOM 806 C TYR A 52 4.947 -1.343 -3.222 1.00 0.00 C ATOM 807 O TYR A 52 4.374 -0.537 -2.479 1.00 0.00 O ATOM 808 CB TYR A 52 4.303 -3.802 -3.258 1.00 0.00 C ATOM 809 CG TYR A 52 4.040 -5.103 -2.507 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.321 -5.121 -1.293 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.386 -6.323 -3.120 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.973 -6.349 -0.689 1.00 0.00 C ATOM 813 CE2 TYR A 52 4.020 -7.548 -2.535 1.00 0.00 C ATOM 814 CZ TYR A 52 3.321 -7.567 -1.311 1.00 0.00 C ATOM 815 OH TYR A 52 2.983 -8.759 -0.747 1.00 0.00 O ATOM 0 H TYR A 52 4.626 -2.191 -0.837 1.00 0.00 H new ATOM 0 HA TYR A 52 6.282 -3.037 -3.105 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.342 -3.298 -3.367 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.636 -4.075 -4.259 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.036 -4.191 -0.824 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.938 -6.317 -4.048 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.440 -6.356 0.250 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.275 -8.476 -3.024 1.00 0.00 H new ATOM 0 HH TYR A 52 3.303 -9.492 -1.314 1.00 0.00 H new ATOM 825 N HIS A 53 5.236 -1.032 -4.489 1.00 0.00 N ATOM 826 CA HIS A 53 4.636 0.148 -5.145 1.00 0.00 C ATOM 827 C HIS A 53 3.094 0.086 -5.057 1.00 0.00 C ATOM 828 O HIS A 53 2.524 -1.006 -4.983 1.00 0.00 O ATOM 829 CB HIS A 53 5.040 0.239 -6.625 1.00 0.00 C ATOM 830 CG HIS A 53 6.510 0.384 -6.953 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.328 -0.576 -7.555 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.216 1.552 -6.860 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.493 0.035 -7.825 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.451 1.317 -7.426 1.00 0.00 N ATOM 0 H HIS A 53 5.872 -1.568 -5.079 1.00 0.00 H new ATOM 0 HA HIS A 53 5.008 1.030 -4.623 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.673 -0.656 -7.127 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.515 1.088 -7.063 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.872 2.480 -6.427 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.343 -0.437 -8.296 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.203 1.999 -7.525 1.00 0.00 H new ATOM 842 N PHE A 54 2.405 1.235 -5.113 1.00 0.00 N ATOM 843 CA PHE A 54 0.934 1.294 -5.029 1.00 0.00 C ATOM 844 C PHE A 54 0.223 0.304 -5.976 1.00 0.00 C ATOM 845 O PHE A 54 -0.683 -0.409 -5.550 1.00 0.00 O ATOM 846 CB PHE A 54 0.456 2.727 -5.315 1.00 0.00 C ATOM 847 CG PHE A 54 -1.015 2.825 -5.694 1.00 0.00 C ATOM 848 CD1 PHE A 54 -2.019 2.579 -4.736 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.377 3.073 -7.034 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.372 2.560 -5.123 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.730 3.052 -7.417 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.726 2.790 -6.463 1.00 0.00 C ATOM 0 H PHE A 54 2.848 2.148 -5.217 1.00 0.00 H new ATOM 0 HA PHE A 54 0.666 0.997 -4.015 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.635 3.342 -4.433 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.057 3.145 -6.122 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.750 2.405 -3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.613 3.280 -7.769 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.140 2.368 -4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.003 3.237 -8.445 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.764 2.765 -6.759 1.00 0.00 H new ATOM 862 N SER A 55 0.638 0.227 -7.246 1.00 0.00 N ATOM 863 CA SER A 55 0.025 -0.651 -8.252 1.00 0.00 C ATOM 864 C SER A 55 0.454 -2.113 -8.103 1.00 0.00 C ATOM 865 O SER A 55 -0.347 -3.019 -8.347 1.00 0.00 O ATOM 866 CB SER A 55 0.329 -0.122 -9.654 1.00 0.00 C ATOM 867 OG SER A 55 1.689 0.266 -9.786 1.00 0.00 O ATOM 0 H SER A 55 1.416 0.778 -7.609 1.00 0.00 H new ATOM 0 HA SER A 55 -1.053 -0.637 -8.090 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.097 -0.891 -10.391 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.315 0.731 -9.869 1.00 0.00 H new ATOM 0 HG SER A 55 1.932 0.290 -10.735 1.00 0.00 H new ATOM 873 N CYS A 56 1.686 -2.349 -7.644 1.00 0.00 N ATOM 874 CA CYS A 56 2.239 -3.679 -7.435 1.00 0.00 C ATOM 875 C CYS A 56 1.462 -4.496 -6.381 1.00 0.00 C ATOM 876 O CYS A 56 1.289 -5.699 -6.557 1.00 0.00 O ATOM 877 CB CYS A 56 3.723 -3.555 -7.084 1.00 0.00 C ATOM 878 SG CYS A 56 4.716 -2.989 -8.519 1.00 0.00 S ATOM 0 H CYS A 56 2.336 -1.601 -7.404 1.00 0.00 H new ATOM 0 HA CYS A 56 2.134 -4.241 -8.363 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.844 -2.854 -6.259 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.097 -4.519 -6.740 1.00 0.00 H new ATOM 883 N PHE A 57 0.941 -3.851 -5.330 1.00 0.00 N ATOM 884 CA PHE A 57 0.033 -4.446 -4.335 1.00 0.00 C ATOM 885 C PHE A 57 -1.157 -5.162 -4.999 1.00 0.00 C ATOM 886 O PHE A 57 -1.427 -6.334 -4.726 1.00 0.00 O ATOM 887 CB PHE A 57 -0.463 -3.341 -3.391 1.00 0.00 C ATOM 888 CG PHE A 57 -1.441 -3.827 -2.336 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.797 -4.018 -2.668 1.00 0.00 C ATOM 890 CD2 PHE A 57 -1.003 -4.098 -1.026 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.703 -4.503 -1.712 1.00 0.00 C ATOM 892 CE2 PHE A 57 -1.921 -4.541 -0.057 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.266 -4.759 -0.402 1.00 0.00 C ATOM 0 H PHE A 57 1.145 -2.870 -5.140 1.00 0.00 H new ATOM 0 HA PHE A 57 0.582 -5.200 -3.771 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.395 -2.888 -2.895 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.940 -2.559 -3.982 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.142 -3.789 -3.666 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.037 -3.966 -0.765 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.734 -4.679 -1.983 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.591 -4.714 0.957 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.962 -5.123 0.339 1.00 0.00 H new ATOM 903 N TRP A 58 -1.850 -4.474 -5.911 1.00 0.00 N ATOM 904 CA TRP A 58 -3.014 -5.016 -6.619 1.00 0.00 C ATOM 905 C TRP A 58 -2.601 -6.045 -7.680 1.00 0.00 C ATOM 906 O TRP A 58 -3.333 -7.002 -7.935 1.00 0.00 O ATOM 907 CB TRP A 58 -3.819 -3.868 -7.237 1.00 0.00 C ATOM 908 CG TRP A 58 -4.122 -2.729 -6.306 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.442 -1.565 -6.284 1.00 0.00 C ATOM 910 CD2 TRP A 58 -5.111 -2.624 -5.229 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.894 -0.767 -5.257 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.929 -1.364 -4.574 1.00 0.00 C ATOM 913 CE3 TRP A 58 -6.141 -3.457 -4.730 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.719 -0.954 -3.492 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.941 -3.052 -3.647 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.728 -1.808 -3.029 1.00 0.00 C ATOM 0 H TRP A 58 -1.618 -3.518 -6.181 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.644 -5.542 -5.902 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.269 -3.480 -8.094 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.760 -4.267 -7.616 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.655 -1.297 -6.973 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.510 0.151 -5.031 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.315 -4.419 -5.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.553 0.004 -3.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.725 -3.702 -3.287 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.345 -1.509 -2.194 1.00 0.00 H new ATOM 927 N LYS A 59 -1.391 -5.906 -8.239 1.00 0.00 N ATOM 928 CA LYS A 59 -0.751 -6.855 -9.159 1.00 0.00 C ATOM 929 C LYS A 59 -0.382 -8.188 -8.490 1.00 0.00 C ATOM 930 O LYS A 59 -0.269 -9.193 -9.192 1.00 0.00 O ATOM 931 CB LYS A 59 0.460 -6.139 -9.773 1.00 0.00 C ATOM 932 CG LYS A 59 1.112 -6.843 -10.969 1.00 0.00 C ATOM 933 CD LYS A 59 2.124 -5.922 -11.677 1.00 0.00 C ATOM 934 CE LYS A 59 3.282 -5.501 -10.757 1.00 0.00 C ATOM 935 NZ LYS A 59 3.928 -4.242 -11.209 1.00 0.00 N ATOM 0 H LYS A 59 -0.805 -5.092 -8.053 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.452 -7.145 -9.941 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.149 -5.142 -10.087 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.214 -6.008 -8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.616 -7.748 -10.630 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.342 -7.152 -11.676 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.527 -6.434 -12.551 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.609 -5.032 -12.038 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.908 -5.371 -9.741 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.025 -6.297 -10.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.492 -3.843 -10.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.548 -4.442 -12.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.197 -3.559 -11.492 1.00 0.00 H new ATOM 949 N VAL A 60 -0.266 -8.253 -7.153 1.00 0.00 N ATOM 950 CA VAL A 60 -0.210 -9.554 -6.430 1.00 0.00 C ATOM 951 C VAL A 60 -1.560 -10.302 -6.482 1.00 0.00 C ATOM 952 O VAL A 60 -1.603 -11.522 -6.318 1.00 0.00 O ATOM 953 CB VAL A 60 0.225 -9.412 -4.951 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.742 -10.744 -4.380 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.341 -8.396 -4.708 1.00 0.00 C ATOM 0 H VAL A 60 -0.209 -7.434 -6.548 1.00 0.00 H new ATOM 0 HA VAL A 60 0.550 -10.133 -6.955 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.686 -9.072 -4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.038 -10.604 -3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.047 -11.494 -4.435 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.602 -11.079 -4.960 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.579 -8.365 -3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.228 -8.688 -5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.013 -7.410 -5.035 1.00 0.00 H new ATOM 965 N GLY A 61 -2.667 -9.592 -6.733 1.00 0.00 N ATOM 966 CA GLY A 61 -4.037 -10.122 -6.718 1.00 0.00 C ATOM 967 C GLY A 61 -4.777 -9.940 -5.383 1.00 0.00 C ATOM 968 O GLY A 61 -5.815 -10.572 -5.171 1.00 0.00 O ATOM 0 H GLY A 61 -2.633 -8.598 -6.960 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.610 -9.634 -7.506 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.005 -11.185 -6.959 1.00 0.00 H new ATOM 972 N HIS A 62 -4.263 -9.099 -4.475 1.00 0.00 N ATOM 973 CA HIS A 62 -4.902 -8.798 -3.183 1.00 0.00 C ATOM 974 C HIS A 62 -6.195 -7.979 -3.332 1.00 0.00 C ATOM 975 O HIS A 62 -6.349 -7.190 -4.268 1.00 0.00 O ATOM 976 CB HIS A 62 -3.917 -8.090 -2.245 1.00 0.00 C ATOM 977 CG HIS A 62 -2.787 -8.982 -1.799 1.00 0.00 C ATOM 978 ND1 HIS A 62 -2.923 -10.224 -1.168 1.00 0.00 N ATOM 979 CD2 HIS A 62 -1.463 -8.708 -1.955 1.00 0.00 C ATOM 980 CE1 HIS A 62 -1.670 -10.669 -0.964 1.00 0.00 C ATOM 981 NE2 HIS A 62 -0.775 -9.782 -1.434 1.00 0.00 N ATOM 0 H HIS A 62 -3.383 -8.603 -4.617 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.187 -9.754 -2.744 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.506 -7.216 -2.751 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.454 -7.727 -1.369 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.035 -7.822 -2.400 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.418 -11.606 -0.490 1.00 0.00 H new ATOM 0 HE2 HIS A 62 0.239 -9.886 -1.409 1.00 0.00 H new ATOM 989 N SER A 63 -7.110 -8.151 -2.376 1.00 0.00 N ATOM 990 CA SER A 63 -8.395 -7.446 -2.275 1.00 0.00 C ATOM 991 C SER A 63 -8.595 -6.830 -0.887 1.00 0.00 C ATOM 992 O SER A 63 -8.006 -7.274 0.101 1.00 0.00 O ATOM 993 CB SER A 63 -9.557 -8.381 -2.638 1.00 0.00 C ATOM 994 OG SER A 63 -9.681 -9.442 -1.700 1.00 0.00 O ATOM 0 H SER A 63 -6.972 -8.816 -1.615 1.00 0.00 H new ATOM 0 HA SER A 63 -8.380 -6.626 -2.993 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.486 -7.813 -2.672 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.398 -8.791 -3.635 1.00 0.00 H new ATOM 0 HG SER A 63 -10.430 -10.019 -1.956 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.405 -5.772 -0.822 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.679 -4.973 0.382 1.00 0.00 C ATOM 1002 C ILE A 64 -11.170 -4.594 0.360 1.00 0.00 C ATOM 1003 O ILE A 64 -11.684 -4.189 -0.686 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.756 -3.727 0.428 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.280 -4.026 0.063 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.835 -3.079 1.818 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.332 -2.834 0.233 1.00 0.00 C ATOM 0 H ILE A 64 -9.911 -5.431 -1.639 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.468 -5.543 1.287 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.122 -3.041 -0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.925 -4.849 0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.236 -4.365 -0.972 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.186 -2.204 1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.862 -2.776 2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.513 -3.796 2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.321 -3.131 -0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.658 -2.015 -0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.342 -2.507 1.273 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.878 -4.765 1.483 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.358 -4.686 1.569 1.00 0.00 C ATOM 1021 C ARG A 65 -13.876 -3.625 2.545 1.00 0.00 C ATOM 1022 O ARG A 65 -15.007 -3.161 2.397 1.00 0.00 O ATOM 1023 CB ARG A 65 -13.984 -6.079 1.831 1.00 0.00 C ATOM 1024 CG ARG A 65 -13.258 -6.972 2.856 1.00 0.00 C ATOM 1025 CD ARG A 65 -12.149 -7.819 2.205 1.00 0.00 C ATOM 1026 NE ARG A 65 -10.918 -7.825 3.013 1.00 0.00 N ATOM 1027 CZ ARG A 65 -9.798 -8.463 2.742 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -9.643 -9.234 1.705 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -8.794 -8.302 3.541 1.00 0.00 N ATOM 0 H ARG A 65 -11.438 -4.967 2.381 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.692 -4.346 0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.010 -5.935 2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.033 -6.616 0.884 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.825 -6.348 3.637 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.980 -7.631 3.338 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.503 -8.842 2.074 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.929 -7.428 1.211 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.934 -7.277 3.873 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.413 -9.369 1.050 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.751 -9.703 1.547 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.883 -7.694 4.355 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.914 -8.783 3.357 1.00 0.00 H new ATOM 1043 N HIS A 66 -13.042 -3.185 3.487 1.00 0.00 N ATOM 1044 CA HIS A 66 -13.255 -1.995 4.320 1.00 0.00 C ATOM 1045 C HIS A 66 -11.941 -1.209 4.440 1.00 0.00 C ATOM 1046 O HIS A 66 -11.329 -1.170 5.506 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.977 -2.321 5.652 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.452 -3.417 6.563 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -12.965 -4.636 6.189 1.00 0.00 N flip ATOM 1050 CD2 HIS A 66 -13.567 -3.412 7.958 1.00 0.00 C flip ATOM 1051 CE1 HIS A 66 -12.732 -5.357 7.337 1.00 0.00 C flip ATOM 1052 NE2 HIS A 66 -13.106 -4.603 8.379 1.00 0.00 N flip ATOM 0 H HIS A 66 -12.167 -3.663 3.701 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.961 -1.323 3.831 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -14.004 -1.402 6.237 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -15.008 -2.573 5.406 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -13.950 -2.611 8.573 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.320 -6.354 7.389 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -13.049 -4.892 9.356 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.461 -0.595 3.338 1.00 0.00 N ATOM 1061 CA PRO A 67 -10.103 -0.056 3.245 1.00 0.00 C ATOM 1062 C PRO A 67 -9.792 1.066 4.239 1.00 0.00 C ATOM 1063 O PRO A 67 -8.650 1.191 4.670 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.944 0.428 1.794 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.382 0.684 1.351 1.00 0.00 C ATOM 1066 CD PRO A 67 -12.142 -0.430 2.059 1.00 0.00 C ATOM 0 HA PRO A 67 -9.390 -0.836 3.510 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.338 1.332 1.735 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.458 -0.322 1.170 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.731 1.671 1.654 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.491 0.626 0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.190 -0.165 2.201 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.122 -1.353 1.479 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.795 1.831 4.675 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.640 2.861 5.709 1.00 0.00 C ATOM 1076 C ASP A 68 -10.245 2.264 7.076 1.00 0.00 C ATOM 1077 O ASP A 68 -9.624 2.930 7.907 1.00 0.00 O ATOM 1078 CB ASP A 68 -11.981 3.610 5.788 1.00 0.00 C ATOM 1079 CG ASP A 68 -11.939 4.934 6.565 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -12.043 4.924 7.814 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -11.901 5.997 5.900 1.00 0.00 O ATOM 0 H ASP A 68 -11.747 1.754 4.318 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.827 3.539 5.447 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.328 3.812 4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.719 2.956 6.253 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.566 0.980 7.279 1.00 0.00 N ATOM 1087 CA VAL A 69 -10.284 0.191 8.483 1.00 0.00 C ATOM 1088 C VAL A 69 -9.042 -0.687 8.297 1.00 0.00 C ATOM 1089 O VAL A 69 -8.234 -0.830 9.215 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.500 -0.693 8.838 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.348 -1.334 10.223 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.824 0.086 8.818 1.00 0.00 C ATOM 0 H VAL A 69 -11.056 0.435 6.569 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.090 0.887 9.299 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.529 -1.464 8.068 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.222 -1.948 10.438 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.454 -1.957 10.239 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.259 -0.553 10.978 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.644 -0.584 9.075 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.779 0.899 9.543 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.989 0.497 7.822 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.877 -1.278 7.108 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.849 -2.304 6.840 1.00 0.00 C ATOM 1104 C GLU A 70 -6.509 -1.731 6.374 1.00 0.00 C ATOM 1105 O GLU A 70 -5.466 -2.322 6.659 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.348 -3.310 5.783 1.00 0.00 C ATOM 1107 CG GLU A 70 -9.596 -4.111 6.170 1.00 0.00 C ATOM 1108 CD GLU A 70 -9.997 -5.089 5.048 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -10.612 -4.671 4.036 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -9.723 -6.306 5.176 1.00 0.00 O ATOM 0 H GLU A 70 -9.454 -1.060 6.296 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.679 -2.797 7.797 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.558 -2.767 4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.542 -4.010 5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.406 -4.665 7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.421 -3.429 6.374 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.531 -0.597 5.671 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.341 0.105 5.179 1.00 0.00 C ATOM 1119 C VAL A 71 -4.909 1.148 6.199 1.00 0.00 C ATOM 1120 O VAL A 71 -5.439 2.255 6.288 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.555 0.693 3.785 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -4.197 1.143 3.269 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -6.072 -0.373 2.814 1.00 0.00 C ATOM 0 H VAL A 71 -7.401 -0.127 5.420 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.530 -0.614 5.065 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.277 1.507 3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.310 1.570 2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.783 1.895 3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.523 0.287 3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.216 0.071 1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.347 -1.184 2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.022 -0.766 3.177 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.902 0.778 6.974 1.00 0.00 N ATOM 1134 CA ASP A 72 -3.197 1.657 7.892 1.00 0.00 C ATOM 1135 C ASP A 72 -2.348 2.700 7.139 1.00 0.00 C ATOM 1136 O ASP A 72 -1.799 2.423 6.076 1.00 0.00 O ATOM 1137 CB ASP A 72 -2.367 0.760 8.803 1.00 0.00 C ATOM 1138 CG ASP A 72 -1.445 1.566 9.720 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -1.948 2.345 10.560 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -0.209 1.421 9.566 1.00 0.00 O ATOM 0 H ASP A 72 -3.541 -0.176 6.981 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.893 2.247 8.488 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.032 0.145 9.409 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.769 0.081 8.195 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.254 3.919 7.667 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.507 5.032 7.060 1.00 0.00 C ATOM 1147 C GLY A 73 -2.292 5.815 6.000 1.00 0.00 C ATOM 1148 O GLY A 73 -1.885 6.906 5.609 1.00 0.00 O ATOM 0 H GLY A 73 -2.703 4.171 8.548 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.198 5.719 7.848 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.598 4.639 6.605 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.478 5.335 5.623 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.470 6.035 4.795 1.00 0.00 C ATOM 1154 C PHE A 74 -4.842 7.424 5.351 1.00 0.00 C ATOM 1155 O PHE A 74 -5.133 8.346 4.589 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.690 5.106 4.761 1.00 0.00 C ATOM 1157 CG PHE A 74 -6.883 5.594 3.975 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -6.998 5.281 2.609 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -7.903 6.318 4.623 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -8.133 5.692 1.893 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -9.033 6.737 3.902 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.144 6.425 2.538 1.00 0.00 C ATOM 0 H PHE A 74 -3.791 4.404 5.898 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.071 6.235 3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.378 4.147 4.348 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.009 4.923 5.787 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.216 4.726 2.112 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.816 6.551 5.674 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.230 5.445 0.846 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.814 7.297 4.395 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.011 6.750 1.981 1.00 0.00 H new ATOM 1172 N SER A 75 -4.756 7.613 6.669 1.00 0.00 N ATOM 1173 CA SER A 75 -4.936 8.906 7.351 1.00 0.00 C ATOM 1174 C SER A 75 -3.840 9.943 7.033 1.00 0.00 C ATOM 1175 O SER A 75 -4.032 11.134 7.283 1.00 0.00 O ATOM 1176 CB SER A 75 -4.983 8.675 8.866 1.00 0.00 C ATOM 1177 OG SER A 75 -5.998 7.739 9.200 1.00 0.00 O ATOM 0 H SER A 75 -4.553 6.850 7.315 1.00 0.00 H new ATOM 0 HA SER A 75 -5.872 9.322 6.979 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.016 8.310 9.213 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.170 9.619 9.377 1.00 0.00 H new ATOM 0 HG SER A 75 -6.011 7.603 10.170 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.700 9.518 6.477 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.573 10.379 6.072 1.00 0.00 C ATOM 1185 C GLU A 76 -1.680 10.854 4.604 1.00 0.00 C ATOM 1186 O GLU A 76 -0.965 11.774 4.198 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.234 9.645 6.300 1.00 0.00 C ATOM 1188 CG GLU A 76 -0.038 9.128 7.739 1.00 0.00 C ATOM 1189 CD GLU A 76 1.301 8.383 7.905 1.00 0.00 C ATOM 1190 OE1 GLU A 76 2.373 8.992 7.669 1.00 0.00 O ATOM 1191 OE2 GLU A 76 1.300 7.189 8.292 1.00 0.00 O ATOM 0 H GLU A 76 -2.526 8.531 6.288 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.613 11.271 6.697 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.172 8.803 5.611 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.585 10.320 6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.075 9.967 8.434 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.859 8.461 8.000 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.573 10.250 3.808 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.842 10.613 2.410 1.00 0.00 C ATOM 1200 C LEU A 77 -3.701 11.889 2.312 1.00 0.00 C ATOM 1201 O LEU A 77 -4.534 12.165 3.182 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.549 9.442 1.692 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.661 8.306 1.153 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -1.637 7.754 2.142 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -3.556 7.161 0.679 1.00 0.00 C ATOM 0 H LEU A 77 -3.146 9.470 4.130 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.888 10.816 1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.270 9.007 2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.117 9.852 0.857 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.081 8.746 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.063 6.959 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.963 8.553 2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.153 7.355 3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.937 6.350 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.154 6.797 1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.217 7.519 -0.111 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.560 12.629 1.205 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.510 13.677 0.790 1.00 0.00 C ATOM 1219 C ARG A 78 -5.833 13.040 0.341 1.00 0.00 C ATOM 1220 O ARG A 78 -5.856 11.877 -0.072 1.00 0.00 O ATOM 1221 CB ARG A 78 -3.857 14.533 -0.322 1.00 0.00 C ATOM 1222 CG ARG A 78 -4.531 15.880 -0.638 1.00 0.00 C ATOM 1223 CD ARG A 78 -4.513 16.862 0.542 1.00 0.00 C ATOM 1224 NE ARG A 78 -5.103 18.162 0.167 1.00 0.00 N ATOM 1225 CZ ARG A 78 -5.279 19.208 0.958 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -4.931 19.195 2.214 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -5.816 20.299 0.496 1.00 0.00 N ATOM 0 H ARG A 78 -2.775 12.518 0.563 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.745 14.334 1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.822 14.727 -0.039 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.832 13.941 -1.237 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.029 16.338 -1.490 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.564 15.700 -0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.066 16.437 1.380 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.487 17.010 0.879 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.406 18.265 -0.801 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.508 18.359 2.617 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.082 20.021 2.794 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.104 20.352 -0.481 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.949 21.102 1.111 1.00 0.00 H new ATOM 1241 N TRP A 79 -6.925 13.809 0.363 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.261 13.357 -0.067 1.00 0.00 C ATOM 1243 C TRP A 79 -8.257 12.699 -1.462 1.00 0.00 C ATOM 1244 O TRP A 79 -8.992 11.737 -1.686 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.260 14.532 0.018 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.060 14.825 -1.220 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.310 14.380 -1.484 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -9.655 15.588 -2.399 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -11.704 14.817 -2.736 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -10.720 15.566 -3.347 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -8.477 16.271 -2.771 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -10.629 16.206 -4.593 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -8.369 16.911 -4.020 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -9.442 16.882 -4.930 1.00 0.00 C ATOM 0 H TRP A 79 -6.911 14.777 0.684 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.582 12.571 0.617 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.955 14.330 0.833 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.706 15.432 0.287 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.909 13.776 -0.819 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -12.611 14.611 -3.156 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.644 16.303 -2.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -11.459 16.180 -5.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -7.457 17.427 -4.281 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -9.354 17.378 -5.885 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.397 13.156 -2.382 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.341 12.632 -3.750 1.00 0.00 C ATOM 1267 C ASP A 80 -6.762 11.206 -3.839 1.00 0.00 C ATOM 1268 O ASP A 80 -7.176 10.420 -4.690 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.561 13.588 -4.658 1.00 0.00 C ATOM 1270 CG ASP A 80 -6.720 13.208 -6.142 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -7.872 12.988 -6.591 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -5.698 13.155 -6.867 1.00 0.00 O ATOM 0 H ASP A 80 -6.722 13.898 -2.198 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.373 12.563 -4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.912 14.608 -4.502 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.505 13.570 -4.387 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.839 10.836 -2.944 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.350 9.464 -2.826 1.00 0.00 C ATOM 1279 C ASP A 81 -6.236 8.622 -1.905 1.00 0.00 C ATOM 1280 O ASP A 81 -6.404 7.431 -2.143 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.872 9.402 -2.452 1.00 0.00 C ATOM 1282 CG ASP A 81 -2.984 9.913 -3.595 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.913 9.234 -4.649 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.345 10.976 -3.419 1.00 0.00 O ATOM 0 H ASP A 81 -5.411 11.483 -2.282 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.421 9.014 -3.816 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.696 9.999 -1.557 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.599 8.375 -2.208 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.886 9.215 -0.901 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.933 8.518 -0.152 1.00 0.00 C ATOM 1291 C GLN A 82 -9.061 8.041 -1.082 1.00 0.00 C ATOM 1292 O GLN A 82 -9.428 6.865 -1.041 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.465 9.411 0.974 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.453 9.480 2.126 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.904 10.364 3.289 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.839 11.152 3.208 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.244 10.274 4.421 1.00 0.00 N ATOM 0 H GLN A 82 -6.707 10.170 -0.590 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.498 7.627 0.302 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.659 10.413 0.591 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.415 9.020 1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.270 8.472 2.498 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.504 9.856 1.742 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.463 9.623 4.506 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.512 10.855 5.215 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.551 8.894 -1.989 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.595 8.498 -2.940 1.00 0.00 C ATOM 1308 C GLN A 83 -10.102 7.523 -4.024 1.00 0.00 C ATOM 1309 O GLN A 83 -10.889 6.680 -4.448 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.330 9.726 -3.515 1.00 0.00 C ATOM 1311 CG GLN A 83 -10.518 10.567 -4.513 1.00 0.00 C ATOM 1312 CD GLN A 83 -11.231 11.846 -4.967 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -12.392 12.104 -4.669 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -10.581 12.707 -5.723 1.00 0.00 N ATOM 0 H GLN A 83 -9.242 9.861 -2.084 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.330 7.926 -2.373 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.241 9.386 -4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.635 10.367 -2.688 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.565 10.836 -4.057 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.292 9.958 -5.388 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.614 12.523 -5.989 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.045 13.558 -6.042 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.821 7.546 -4.436 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.279 6.610 -5.432 1.00 0.00 C ATOM 1325 C LYS A 84 -7.971 5.258 -4.809 1.00 0.00 C ATOM 1326 O LYS A 84 -8.215 4.244 -5.450 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.090 7.229 -6.194 1.00 0.00 C ATOM 1328 CG LYS A 84 -5.725 7.187 -5.499 1.00 0.00 C ATOM 1329 CD LYS A 84 -4.809 6.055 -5.965 1.00 0.00 C ATOM 1330 CE LYS A 84 -3.947 6.541 -7.137 1.00 0.00 C ATOM 1331 NZ LYS A 84 -2.764 7.317 -6.674 1.00 0.00 N ATOM 0 H LYS A 84 -8.135 8.215 -4.086 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.046 6.422 -6.183 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -6.999 6.719 -7.153 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.330 8.270 -6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.218 8.138 -5.664 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.882 7.091 -4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.172 5.727 -5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.404 5.194 -6.270 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.612 5.684 -7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.551 7.161 -7.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.405 7.902 -7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.040 7.931 -5.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.019 6.662 -6.362 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.518 5.215 -3.554 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.264 3.948 -2.842 1.00 0.00 C ATOM 1347 C VAL A 85 -8.586 3.268 -2.478 1.00 0.00 C ATOM 1348 O VAL A 85 -8.730 2.068 -2.714 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.352 4.170 -1.617 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.205 2.934 -0.715 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.945 4.572 -2.084 1.00 0.00 C ATOM 0 H VAL A 85 -7.316 6.048 -3.001 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.725 3.272 -3.506 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.833 4.955 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.549 3.171 0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.185 2.640 -0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.777 2.113 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.304 4.728 -1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.528 3.780 -2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.003 5.494 -2.662 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.598 4.028 -2.027 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.968 3.512 -1.851 1.00 0.00 C ATOM 1363 C LYS A 86 -11.569 3.032 -3.176 1.00 0.00 C ATOM 1364 O LYS A 86 -12.025 1.892 -3.247 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.871 4.554 -1.169 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.551 4.670 0.329 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.554 5.566 1.066 1.00 0.00 C ATOM 1368 CE LYS A 86 -12.373 5.385 2.576 1.00 0.00 C ATOM 1369 NZ LYS A 86 -13.022 6.461 3.369 1.00 0.00 N ATOM 0 H LYS A 86 -9.492 5.011 -1.775 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.907 2.644 -1.194 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.738 5.524 -1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.916 4.275 -1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.555 3.677 0.778 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.546 5.073 0.454 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.399 6.609 0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.573 5.308 0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.787 4.421 2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.308 5.361 2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.768 6.354 4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.698 7.388 3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.055 6.395 3.264 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.486 3.828 -4.250 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.993 3.437 -5.582 1.00 0.00 C ATOM 1385 C LYS A 87 -11.281 2.199 -6.118 1.00 0.00 C ATOM 1386 O LYS A 87 -11.941 1.306 -6.635 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.923 4.634 -6.551 1.00 0.00 C ATOM 1388 CG LYS A 87 -12.531 4.373 -7.942 1.00 0.00 C ATOM 1389 CD LYS A 87 -11.510 3.881 -8.987 1.00 0.00 C ATOM 1390 CE LYS A 87 -12.167 3.544 -10.335 1.00 0.00 C ATOM 1391 NZ LYS A 87 -12.688 4.748 -11.039 1.00 0.00 N ATOM 0 H LYS A 87 -11.068 4.758 -4.226 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.042 3.156 -5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.438 5.481 -6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.879 4.924 -6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.325 3.632 -7.848 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.993 5.291 -8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.750 4.648 -9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.999 2.998 -8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.440 3.042 -10.973 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.985 2.843 -10.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.120 4.463 -11.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.403 5.215 -10.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.906 5.408 -11.223 1.00 0.00 H new ATOM 1405 N THR A 88 -9.964 2.094 -5.950 1.00 0.00 N ATOM 1406 CA THR A 88 -9.174 0.934 -6.393 1.00 0.00 C ATOM 1407 C THR A 88 -9.514 -0.339 -5.606 1.00 0.00 C ATOM 1408 O THR A 88 -9.551 -1.424 -6.190 1.00 0.00 O ATOM 1409 CB THR A 88 -7.668 1.230 -6.345 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.377 2.363 -7.131 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.863 0.109 -6.981 1.00 0.00 C ATOM 0 H THR A 88 -9.404 2.817 -5.498 1.00 0.00 H new ATOM 0 HA THR A 88 -9.447 0.748 -7.432 1.00 0.00 H new ATOM 0 HB THR A 88 -7.413 1.362 -5.294 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.749 3.162 -6.703 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.801 0.350 -6.931 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.050 -0.822 -6.446 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.160 -0.006 -8.023 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.853 -0.224 -4.319 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.324 -1.342 -3.508 1.00 0.00 C ATOM 1421 C ALA A 89 -11.735 -1.783 -3.940 1.00 0.00 C ATOM 1422 O ALA A 89 -11.997 -2.980 -4.071 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.291 -0.912 -2.040 1.00 0.00 C ATOM 0 H ALA A 89 -9.807 0.658 -3.809 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.675 -2.206 -3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.639 -1.732 -1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.271 -0.649 -1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.939 -0.047 -1.900 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.617 -0.828 -4.264 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.953 -1.118 -4.808 1.00 0.00 C ATOM 1431 C GLU A 90 -13.896 -1.726 -6.221 1.00 0.00 C ATOM 1432 O GLU A 90 -14.707 -2.584 -6.576 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.825 0.149 -4.826 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.220 0.615 -3.421 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.164 1.831 -3.492 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -15.678 2.987 -3.546 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -17.406 1.639 -3.490 1.00 0.00 O ATOM 0 H GLU A 90 -12.426 0.168 -4.157 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.401 -1.859 -4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.285 0.950 -5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.727 -0.044 -5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.709 -0.200 -2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.326 0.876 -2.855 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.904 -1.312 -7.011 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.611 -1.796 -8.356 1.00 0.00 C ATOM 1446 C ALA A 91 -11.920 -3.180 -8.382 1.00 0.00 C ATOM 1447 O ALA A 91 -11.796 -3.785 -9.451 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.761 -0.713 -9.035 1.00 0.00 C ATOM 0 H ALA A 91 -12.249 -0.590 -6.711 1.00 0.00 H new ATOM 0 HA ALA A 91 -13.543 -1.962 -8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.513 -1.027 -10.049 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.322 0.221 -9.071 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.843 -0.562 -8.467 1.00 0.00 H new ATOM 1454 N GLY A 92 -11.475 -3.695 -7.228 1.00 0.00 N ATOM 1455 CA GLY A 92 -10.770 -4.977 -7.110 1.00 0.00 C ATOM 1456 C GLY A 92 -9.339 -4.960 -7.667 1.00 0.00 C ATOM 1457 O GLY A 92 -8.854 -5.990 -8.141 1.00 0.00 O ATOM 0 H GLY A 92 -11.598 -3.222 -6.333 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -10.736 -5.265 -6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -11.342 -5.744 -7.632 1.00 0.00 H new ATOM 1461 N GLY A 93 -8.674 -3.800 -7.639 1.00 0.00 N ATOM 1462 CA GLY A 93 -7.344 -3.565 -8.200 1.00 0.00 C ATOM 1463 C GLY A 93 -7.356 -2.680 -9.450 1.00 0.00 C ATOM 1464 O GLY A 93 -8.305 -2.688 -10.238 1.00 0.00 O ATOM 0 H GLY A 93 -9.067 -2.965 -7.205 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.715 -3.100 -7.441 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.888 -4.524 -8.448 1.00 0.00 H new ATOM 1468 N VAL A 94 -6.287 -1.898 -9.620 1.00 0.00 N ATOM 1469 CA VAL A 94 -6.127 -0.947 -10.737 1.00 0.00 C ATOM 1470 C VAL A 94 -5.842 -1.657 -12.067 1.00 0.00 C ATOM 1471 O VAL A 94 -5.165 -2.688 -12.112 1.00 0.00 O ATOM 1472 CB VAL A 94 -5.073 0.139 -10.419 1.00 0.00 C ATOM 1473 CG1 VAL A 94 -3.640 -0.401 -10.330 1.00 0.00 C ATOM 1474 CG2 VAL A 94 -5.107 1.286 -11.438 1.00 0.00 C ATOM 0 H VAL A 94 -5.493 -1.903 -8.979 1.00 0.00 H new ATOM 0 HA VAL A 94 -7.083 -0.437 -10.858 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.353 0.512 -9.434 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.956 0.417 -10.104 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.582 -1.151 -9.541 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.362 -0.854 -11.282 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.351 2.027 -11.177 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.902 0.894 -12.434 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.092 1.753 -11.427 1.00 0.00 H new ATOM 1484 N THR A 95 -6.334 -1.073 -13.160 1.00 0.00 N ATOM 1485 CA THR A 95 -6.048 -1.473 -14.547 1.00 0.00 C ATOM 1486 C THR A 95 -5.643 -0.251 -15.378 1.00 0.00 C ATOM 1487 O THR A 95 -6.174 0.846 -15.183 1.00 0.00 O ATOM 1488 CB THR A 95 -7.246 -2.198 -15.189 1.00 0.00 C ATOM 1489 OG1 THR A 95 -8.434 -1.430 -15.119 1.00 0.00 O ATOM 1490 CG2 THR A 95 -7.533 -3.524 -14.482 1.00 0.00 C ATOM 0 H THR A 95 -6.968 -0.276 -13.106 1.00 0.00 H new ATOM 0 HA THR A 95 -5.216 -2.177 -14.528 1.00 0.00 H new ATOM 0 HB THR A 95 -6.967 -2.362 -16.230 1.00 0.00 H new ATOM 0 HG1 THR A 95 -9.169 -1.925 -15.539 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.384 -4.013 -14.957 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.658 -4.170 -14.551 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.762 -3.335 -13.433 1.00 0.00 H new ATOM 1498 N GLY A 96 -4.694 -0.419 -16.303 1.00 0.00 N ATOM 1499 CA GLY A 96 -4.178 0.656 -17.164 1.00 0.00 C ATOM 1500 C GLY A 96 -3.200 1.607 -16.464 1.00 0.00 C ATOM 1501 O GLY A 96 -2.021 1.671 -16.824 1.00 0.00 O ATOM 0 H GLY A 96 -4.253 -1.321 -16.480 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.680 0.209 -18.025 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.019 1.235 -17.547 1.00 0.00 H new ATOM 1505 N LYS A 97 -3.685 2.335 -15.451 1.00 0.00 N ATOM 1506 CA LYS A 97 -2.895 3.240 -14.598 1.00 0.00 C ATOM 1507 C LYS A 97 -1.977 2.450 -13.648 1.00 0.00 C ATOM 1508 O LYS A 97 -2.282 1.315 -13.277 1.00 0.00 O ATOM 1509 CB LYS A 97 -3.877 4.172 -13.853 1.00 0.00 C ATOM 1510 CG LYS A 97 -3.246 5.322 -13.044 1.00 0.00 C ATOM 1511 CD LYS A 97 -2.417 6.332 -13.860 1.00 0.00 C ATOM 1512 CE LYS A 97 -3.257 7.042 -14.932 1.00 0.00 C ATOM 1513 NZ LYS A 97 -2.467 8.074 -15.654 1.00 0.00 N ATOM 0 H LYS A 97 -4.671 2.312 -15.191 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.225 3.850 -15.204 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.561 4.603 -14.584 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -4.477 3.565 -13.175 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.042 5.862 -12.532 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.606 4.892 -12.273 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.987 7.074 -13.187 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.585 5.815 -14.337 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.634 6.308 -15.644 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.125 7.508 -14.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.066 8.532 -16.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.128 8.788 -14.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.653 7.625 -16.120 1.00 0.00 H new ATOM 1527 N GLY A 98 -0.867 3.056 -13.230 1.00 0.00 N ATOM 1528 CA GLY A 98 0.053 2.484 -12.242 1.00 0.00 C ATOM 1529 C GLY A 98 1.091 3.481 -11.717 1.00 0.00 C ATOM 1530 O GLY A 98 1.199 4.606 -12.213 1.00 0.00 O ATOM 0 H GLY A 98 -0.575 3.972 -13.572 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.524 2.098 -11.402 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.571 1.636 -12.689 1.00 0.00 H new ATOM 1534 N GLN A 99 1.849 3.062 -10.703 1.00 0.00 N ATOM 1535 CA GLN A 99 2.927 3.842 -10.087 1.00 0.00 C ATOM 1536 C GLN A 99 4.235 3.723 -10.898 1.00 0.00 C ATOM 1537 O GLN A 99 4.446 2.744 -11.620 1.00 0.00 O ATOM 1538 CB GLN A 99 3.093 3.379 -8.627 1.00 0.00 C ATOM 1539 CG GLN A 99 3.754 4.415 -7.696 1.00 0.00 C ATOM 1540 CD GLN A 99 2.922 5.685 -7.488 1.00 0.00 C ATOM 1541 OE1 GLN A 99 1.718 5.737 -7.704 1.00 0.00 O ATOM 1542 NE2 GLN A 99 3.531 6.773 -7.070 1.00 0.00 N ATOM 0 H GLN A 99 1.728 2.145 -10.274 1.00 0.00 H new ATOM 0 HA GLN A 99 2.671 4.901 -10.090 1.00 0.00 H new ATOM 0 HB2 GLN A 99 2.112 3.124 -8.227 1.00 0.00 H new ATOM 0 HB3 GLN A 99 3.689 2.466 -8.615 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.940 3.952 -6.727 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.724 4.692 -8.108 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.534 6.756 -6.883 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.001 7.634 -6.933 1.00 0.00 H new ATOM 1551 N ASP A 100 5.125 4.711 -10.777 1.00 0.00 N ATOM 1552 CA ASP A 100 6.401 4.782 -11.505 1.00 0.00 C ATOM 1553 C ASP A 100 7.560 5.270 -10.609 1.00 0.00 C ATOM 1554 O ASP A 100 7.341 5.878 -9.556 1.00 0.00 O ATOM 1555 CB ASP A 100 6.204 5.682 -12.742 1.00 0.00 C ATOM 1556 CG ASP A 100 7.417 5.709 -13.689 1.00 0.00 C ATOM 1557 OD1 ASP A 100 8.079 4.659 -13.867 1.00 0.00 O ATOM 1558 OD2 ASP A 100 7.713 6.787 -14.259 1.00 0.00 O ATOM 0 H ASP A 100 4.977 5.506 -10.155 1.00 0.00 H new ATOM 0 HA ASP A 100 6.689 3.781 -11.826 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.330 5.337 -13.295 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.991 6.698 -12.410 1.00 0.00 H new ATOM 1563 N GLY A 101 8.798 5.016 -11.044 1.00 0.00 N ATOM 1564 CA GLY A 101 10.040 5.420 -10.378 1.00 0.00 C ATOM 1565 C GLY A 101 10.684 4.329 -9.510 1.00 0.00 C ATOM 1566 O GLY A 101 10.018 3.434 -8.981 1.00 0.00 O ATOM 0 H GLY A 101 8.969 4.501 -11.907 1.00 0.00 H new ATOM 0 HA2 GLY A 101 10.758 5.734 -11.136 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.836 6.289 -9.753 1.00 0.00 H new ATOM 1570 N ILE A 102 12.009 4.429 -9.358 1.00 0.00 N ATOM 1571 CA ILE A 102 12.858 3.529 -8.563 1.00 0.00 C ATOM 1572 C ILE A 102 13.737 4.334 -7.593 1.00 0.00 C ATOM 1573 O ILE A 102 14.144 5.458 -7.901 1.00 0.00 O ATOM 1574 CB ILE A 102 13.679 2.600 -9.496 1.00 0.00 C ATOM 1575 CG1 ILE A 102 14.189 1.358 -8.733 1.00 0.00 C ATOM 1576 CG2 ILE A 102 14.834 3.342 -10.190 1.00 0.00 C ATOM 1577 CD1 ILE A 102 14.950 0.345 -9.596 1.00 0.00 C ATOM 0 H ILE A 102 12.545 5.173 -9.805 1.00 0.00 H new ATOM 0 HA ILE A 102 12.229 2.884 -7.950 1.00 0.00 H new ATOM 0 HB ILE A 102 13.005 2.262 -10.283 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.841 1.688 -7.924 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.338 0.856 -8.273 1.00 0.00 H new ATOM 0 HG21 ILE A 102 15.378 2.649 -10.832 1.00 0.00 H new ATOM 0 HG22 ILE A 102 14.433 4.156 -10.793 1.00 0.00 H new ATOM 0 HG23 ILE A 102 15.511 3.747 -9.437 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.270 -0.493 -8.977 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.298 -0.019 -10.390 1.00 0.00 H new ATOM 0 HD13 ILE A 102 15.824 0.826 -10.036 1.00 0.00 H new ATOM 1589 N GLY A 103 14.054 3.768 -6.426 1.00 0.00 N ATOM 1590 CA GLY A 103 15.011 4.356 -5.484 1.00 0.00 C ATOM 1591 C GLY A 103 15.508 3.375 -4.425 1.00 0.00 C ATOM 1592 O GLY A 103 14.729 2.603 -3.869 1.00 0.00 O ATOM 0 H GLY A 103 13.653 2.886 -6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 103 15.866 4.741 -6.040 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.544 5.207 -4.988 1.00 0.00 H new ATOM 1596 N SER A 104 16.815 3.412 -4.161 1.00 0.00 N ATOM 1597 CA SER A 104 17.518 2.576 -3.179 1.00 0.00 C ATOM 1598 C SER A 104 18.753 3.302 -2.628 1.00 0.00 C ATOM 1599 O SER A 104 19.344 4.138 -3.323 1.00 0.00 O ATOM 1600 CB SER A 104 17.962 1.264 -3.833 1.00 0.00 C ATOM 1601 OG SER A 104 18.412 0.352 -2.846 1.00 0.00 O ATOM 0 H SER A 104 17.443 4.053 -4.646 1.00 0.00 H new ATOM 0 HA SER A 104 16.832 2.369 -2.358 1.00 0.00 H new ATOM 0 HB2 SER A 104 17.133 0.828 -4.390 1.00 0.00 H new ATOM 0 HB3 SER A 104 18.760 1.458 -4.550 1.00 0.00 H new ATOM 0 HG SER A 104 18.692 -0.483 -3.276 1.00 0.00 H new ATOM 1607 N LYS A 105 19.183 2.951 -1.411 1.00 0.00 N ATOM 1608 CA LYS A 105 20.496 3.320 -0.856 1.00 0.00 C ATOM 1609 C LYS A 105 21.081 2.154 -0.053 1.00 0.00 C ATOM 1610 O LYS A 105 20.653 1.888 1.073 1.00 0.00 O ATOM 1611 CB LYS A 105 20.377 4.632 -0.053 1.00 0.00 C ATOM 1612 CG LYS A 105 21.759 5.151 0.382 1.00 0.00 C ATOM 1613 CD LYS A 105 21.752 6.632 0.796 1.00 0.00 C ATOM 1614 CE LYS A 105 20.858 6.911 2.010 1.00 0.00 C ATOM 1615 NZ LYS A 105 20.909 8.345 2.401 1.00 0.00 N ATOM 0 H LYS A 105 18.620 2.392 -0.770 1.00 0.00 H new ATOM 0 HA LYS A 105 21.204 3.515 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 105 19.877 5.387 -0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 105 19.755 4.467 0.827 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.119 4.550 1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 105 22.465 5.014 -0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 105 22.771 6.945 1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 105 21.413 7.237 -0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 105 19.830 6.631 1.779 1.00 0.00 H new ATOM 0 HE3 LYS A 105 21.176 6.292 2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 20.294 8.502 3.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 21.886 8.604 2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 20.582 8.933 1.608 1.00 0.00 H new ATOM 1629 N ALA A 106 22.041 1.457 -0.660 1.00 0.00 N ATOM 1630 CA ALA A 106 22.820 0.353 -0.111 1.00 0.00 C ATOM 1631 C ALA A 106 24.086 0.162 -0.972 1.00 0.00 C ATOM 1632 O ALA A 106 24.050 0.304 -2.196 1.00 0.00 O ATOM 1633 CB ALA A 106 21.970 -0.926 -0.108 1.00 0.00 C ATOM 0 H ALA A 106 22.313 1.667 -1.620 1.00 0.00 H new ATOM 0 HA ALA A 106 23.114 0.573 0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 106 22.554 -1.750 0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 106 21.081 -0.771 0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 106 21.671 -1.166 -1.128 1.00 0.00 H new ATOM 1639 N GLU A 107 25.207 -0.168 -0.335 1.00 0.00 N ATOM 1640 CA GLU A 107 26.481 -0.475 -1.010 1.00 0.00 C ATOM 1641 C GLU A 107 26.504 -1.901 -1.602 1.00 0.00 C ATOM 1642 O GLU A 107 25.878 -2.822 -1.064 1.00 0.00 O ATOM 1643 CB GLU A 107 27.666 -0.265 -0.051 1.00 0.00 C ATOM 1644 CG GLU A 107 27.836 1.204 0.361 1.00 0.00 C ATOM 1645 CD GLU A 107 29.089 1.391 1.237 1.00 0.00 C ATOM 1646 OE1 GLU A 107 28.993 1.254 2.482 1.00 0.00 O ATOM 1647 OE2 GLU A 107 30.182 1.681 0.691 1.00 0.00 O ATOM 0 H GLU A 107 25.264 -0.233 0.681 1.00 0.00 H new ATOM 0 HA GLU A 107 26.576 0.218 -1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 107 27.520 -0.874 0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 107 28.582 -0.613 -0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 107 27.914 1.828 -0.529 1.00 0.00 H new ATOM 0 HG3 GLU A 107 26.953 1.537 0.907 1.00 0.00 H new ATOM 1654 N LYS A 108 27.248 -2.085 -2.704 1.00 0.00 N ATOM 1655 CA LYS A 108 27.418 -3.358 -3.432 1.00 0.00 C ATOM 1656 C LYS A 108 28.845 -3.503 -3.985 1.00 0.00 C ATOM 1657 O LYS A 108 29.484 -4.544 -3.711 1.00 0.00 O ATOM 1658 CB LYS A 108 26.348 -3.452 -4.537 1.00 0.00 C ATOM 1659 CG LYS A 108 26.342 -4.823 -5.232 1.00 0.00 C ATOM 1660 CD LYS A 108 25.221 -4.908 -6.277 1.00 0.00 C ATOM 1661 CE LYS A 108 25.238 -6.284 -6.956 1.00 0.00 C ATOM 1662 NZ LYS A 108 24.161 -6.406 -7.974 1.00 0.00 N ATOM 1663 OXT LYS A 108 29.327 -2.568 -4.665 1.00 0.00 O ATOM 0 H LYS A 108 27.770 -1.321 -3.132 1.00 0.00 H new ATOM 0 HA LYS A 108 27.278 -4.192 -2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 108 25.366 -3.263 -4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 108 26.526 -2.673 -5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 108 27.305 -4.995 -5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 108 26.211 -5.610 -4.489 1.00 0.00 H new ATOM 0 HD2 LYS A 108 24.255 -4.741 -5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 108 25.348 -4.124 -7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 108 26.207 -6.445 -7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 108 25.118 -7.063 -6.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 24.203 -7.348 -8.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 23.236 -6.277 -7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 24.291 -5.678 -8.705 1.00 0.00 H new TER 1677 LYS A 108 HETATM 1678 ZN ZN A 109 6.918 -2.512 -7.878 1.00 0.00 ZN