USER MOD reduce.3.24.130724 H: found=0, std=0, add=1111, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 1106 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 LYS NZ :NH3+ 156:sc= -0.0339 (180deg=-0.388) USER MOD Set 1.2: A 98 LYS NZ :NH3+ 163:sc= -0.703 (180deg=-0.868) USER MOD Set 2.1: A 68 THR OG1 : rot -23:sc= -3.97! USER MOD Set 2.2: A 80 GLN : amide:sc= -0.376 K(o=-4.4,f=-5.4) USER MOD Set 3.1: A 52 ASN : amide:sc= -2.51 K(o=-2.7,f=-7.3!) USER MOD Set 3.2: A 57 HIS : no HD1:sc= -0.208 X(o=-2.7,f=-2.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00323) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -68:sc= -0.966 USER MOD Single : A 35 GLN : amide:sc= -1.05 K(o=-1,f=-0.25) USER MOD Single : A 37 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.2) USER MOD Single : A 39 THR OG1 : rot 142:sc= 0.186 USER MOD Single : A 42 GLN : amide:sc= -1.29 K(o=-1.3,f=-2.4!) USER MOD Single : A 43 ASN : amide:sc= -5.67! C(o=-5.7!,f=-16!) USER MOD Single : A 56 GLN : amide:sc=-0.00373 X(o=-0.0037,f=-0.14) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.0242 K(o=0.024,f=-2.7!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 50:sc= 0.486 USER MOD Single : A 85 HIS : no HE2:sc= -5.28! C(o=-5.3!,f=-4.2!) USER MOD Single : A 89 ASN : amide:sc= -0.778 K(o=-0.78,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 HIS : no HD1:sc= -0.395 X(o=-0.39,f=-0.085) USER MOD Single : A 106 ASN : amide:sc= -0.0779 K(o=-0.078,f=-2.1) USER MOD Single : A 110 THR OG1 : rot -165:sc= 0.016 USER MOD Single : A 119 SER OG : rot -135:sc= -0.393 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00676) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 ASN : amide:sc= -2.33! K(o=-2.3!,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.222 -11.096 -20.396 1.00 0.00 N ATOM 2 CA MET A 1 -1.567 -11.132 -18.945 1.00 0.00 C ATOM 3 C MET A 1 -1.269 -9.797 -18.267 1.00 0.00 C ATOM 4 O MET A 1 -2.178 -9.111 -17.797 1.00 0.00 O ATOM 5 CB MET A 1 -0.768 -12.253 -18.268 1.00 0.00 C ATOM 6 CG MET A 1 -1.542 -13.555 -18.129 1.00 0.00 C ATOM 7 SD MET A 1 -0.465 -15.001 -18.081 1.00 0.00 S ATOM 8 CE MET A 1 -1.641 -16.290 -17.676 1.00 0.00 C ATOM 0 H1 MET A 1 -1.436 -12.018 -20.827 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.780 -10.356 -20.867 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.209 -10.889 -20.507 1.00 0.00 H new ATOM 0 HA MET A 1 -2.636 -11.321 -18.847 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.139 -12.439 -18.843 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.456 -11.919 -17.279 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.140 -13.522 -17.219 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.236 -13.651 -18.964 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.124 -17.247 -17.611 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.111 -16.066 -16.718 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.405 -16.342 -18.452 1.00 0.00 H new ATOM 18 N ASP A 2 0.009 -9.434 -18.219 1.00 0.00 N ATOM 19 CA ASP A 2 0.425 -8.183 -17.595 1.00 0.00 C ATOM 20 C ASP A 2 1.173 -7.297 -18.587 1.00 0.00 C ATOM 21 O ASP A 2 1.281 -7.625 -19.769 1.00 0.00 O ATOM 22 CB ASP A 2 1.309 -8.468 -16.377 1.00 0.00 C ATOM 23 CG ASP A 2 0.546 -9.140 -15.251 1.00 0.00 C ATOM 24 OD1 ASP A 2 -0.651 -9.442 -15.441 1.00 0.00 O ATOM 25 OD2 ASP A 2 1.146 -9.363 -14.179 1.00 0.00 O ATOM 0 H ASP A 2 0.774 -9.988 -18.604 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.471 -7.653 -17.271 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.142 -9.104 -16.677 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.736 -7.533 -16.015 1.00 0.00 H new ATOM 30 N ASP A 3 1.685 -6.172 -18.098 1.00 0.00 N ATOM 31 CA ASP A 3 2.421 -5.235 -18.939 1.00 0.00 C ATOM 32 C ASP A 3 3.928 -5.473 -18.854 1.00 0.00 C ATOM 33 O ASP A 3 4.700 -4.879 -19.609 1.00 0.00 O ATOM 34 CB ASP A 3 2.098 -3.796 -18.536 1.00 0.00 C ATOM 35 CG ASP A 3 2.530 -3.478 -17.117 1.00 0.00 C ATOM 36 OD1 ASP A 3 3.041 -4.391 -16.432 1.00 0.00 O ATOM 37 OD2 ASP A 3 2.356 -2.318 -16.689 1.00 0.00 O ATOM 0 H ASP A 3 1.603 -5.887 -17.122 1.00 0.00 H new ATOM 0 HA ASP A 3 2.110 -5.400 -19.971 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.591 -3.110 -19.225 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.025 -3.627 -18.632 1.00 0.00 H new ATOM 42 N TYR A 4 4.345 -6.344 -17.936 1.00 0.00 N ATOM 43 CA TYR A 4 5.760 -6.658 -17.761 1.00 0.00 C ATOM 44 C TYR A 4 6.532 -5.455 -17.226 1.00 0.00 C ATOM 45 O TYR A 4 6.939 -4.577 -17.987 1.00 0.00 O ATOM 46 CB TYR A 4 6.372 -7.129 -19.085 1.00 0.00 C ATOM 47 CG TYR A 4 6.571 -8.625 -19.159 1.00 0.00 C ATOM 48 CD1 TYR A 4 5.509 -9.472 -19.449 1.00 0.00 C ATOM 49 CD2 TYR A 4 7.820 -9.190 -18.938 1.00 0.00 C ATOM 50 CE1 TYR A 4 5.687 -10.841 -19.515 1.00 0.00 C ATOM 51 CE2 TYR A 4 8.006 -10.558 -19.003 1.00 0.00 C ATOM 52 CZ TYR A 4 6.936 -11.379 -19.291 1.00 0.00 C ATOM 53 OH TYR A 4 7.117 -12.741 -19.356 1.00 0.00 O ATOM 0 H TYR A 4 3.722 -6.844 -17.302 1.00 0.00 H new ATOM 0 HA TYR A 4 5.834 -7.462 -17.029 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.727 -6.815 -19.906 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.333 -6.635 -19.228 1.00 0.00 H new ATOM 0 HD1 TYR A 4 4.529 -9.054 -19.626 1.00 0.00 H new ATOM 0 HD2 TYR A 4 8.660 -8.550 -18.712 1.00 0.00 H new ATOM 0 HE1 TYR A 4 4.851 -11.486 -19.741 1.00 0.00 H new ATOM 0 HE2 TYR A 4 8.984 -10.982 -18.829 1.00 0.00 H new ATOM 0 HH TYR A 4 8.056 -12.955 -19.174 1.00 0.00 H new ATOM 63 N GLU A 5 6.732 -5.425 -15.913 1.00 0.00 N ATOM 64 CA GLU A 5 7.459 -4.332 -15.274 1.00 0.00 C ATOM 65 C GLU A 5 8.953 -4.424 -15.572 1.00 0.00 C ATOM 66 O GLU A 5 9.434 -5.440 -16.076 1.00 0.00 O ATOM 67 CB GLU A 5 7.225 -4.346 -13.761 1.00 0.00 C ATOM 68 CG GLU A 5 7.501 -5.692 -13.107 1.00 0.00 C ATOM 69 CD GLU A 5 6.470 -6.054 -12.053 1.00 0.00 C ATOM 70 OE1 GLU A 5 5.409 -5.396 -12.007 1.00 0.00 O ATOM 71 OE2 GLU A 5 6.725 -6.997 -11.275 1.00 0.00 O ATOM 0 H GLU A 5 6.401 -6.144 -15.270 1.00 0.00 H new ATOM 0 HA GLU A 5 7.083 -3.394 -15.681 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.860 -3.591 -13.298 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.192 -4.060 -13.560 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.518 -6.467 -13.873 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.490 -5.673 -12.650 1.00 0.00 H new ATOM 78 N LYS A 6 9.682 -3.355 -15.261 1.00 0.00 N ATOM 79 CA LYS A 6 11.121 -3.313 -15.499 1.00 0.00 C ATOM 80 C LYS A 6 11.886 -3.083 -14.199 1.00 0.00 C ATOM 81 O LYS A 6 11.708 -2.062 -13.534 1.00 0.00 O ATOM 82 CB LYS A 6 11.458 -2.210 -16.504 1.00 0.00 C ATOM 83 CG LYS A 6 12.847 -2.337 -17.108 1.00 0.00 C ATOM 84 CD LYS A 6 13.024 -3.666 -17.824 1.00 0.00 C ATOM 85 CE LYS A 6 13.804 -4.657 -16.976 1.00 0.00 C ATOM 86 NZ LYS A 6 14.546 -5.641 -17.811 1.00 0.00 N ATOM 0 H LYS A 6 9.299 -2.507 -14.844 1.00 0.00 H new ATOM 0 HA LYS A 6 11.423 -4.277 -15.908 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.720 -2.224 -17.306 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.374 -1.242 -16.010 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.016 -1.520 -17.809 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.597 -2.243 -16.322 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.046 -4.083 -18.066 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.544 -3.505 -18.768 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.507 -4.117 -16.341 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.119 -5.187 -16.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.065 -6.299 -17.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.874 -6.175 -18.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 15.219 -5.138 -18.424 1.00 0.00 H new ATOM 100 N LEU A 7 12.739 -4.040 -13.844 1.00 0.00 N ATOM 101 CA LEU A 7 13.534 -3.944 -12.625 1.00 0.00 C ATOM 102 C LEU A 7 14.484 -2.750 -12.685 1.00 0.00 C ATOM 103 O LEU A 7 14.207 -1.696 -12.113 1.00 0.00 O ATOM 104 CB LEU A 7 14.323 -5.237 -12.403 1.00 0.00 C ATOM 105 CG LEU A 7 13.866 -6.078 -11.207 1.00 0.00 C ATOM 106 CD1 LEU A 7 13.277 -7.400 -11.673 1.00 0.00 C ATOM 107 CD2 LEU A 7 15.023 -6.318 -10.247 1.00 0.00 C ATOM 0 H LEU A 7 12.897 -4.891 -14.384 1.00 0.00 H new ATOM 0 HA LEU A 7 12.854 -3.796 -11.786 1.00 0.00 H new ATOM 0 HB2 LEU A 7 14.253 -5.846 -13.304 1.00 0.00 H new ATOM 0 HB3 LEU A 7 15.375 -4.984 -12.269 1.00 0.00 H new ATOM 0 HG LEU A 7 13.090 -5.525 -10.679 1.00 0.00 H new ATOM 0 HD11 LEU A 7 12.959 -7.982 -10.808 1.00 0.00 H new ATOM 0 HD12 LEU A 7 12.419 -7.209 -12.317 1.00 0.00 H new ATOM 0 HD13 LEU A 7 14.031 -7.958 -12.228 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.678 -6.917 -9.404 1.00 0.00 H new ATOM 0 HD22 LEU A 7 15.822 -6.847 -10.766 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.398 -5.362 -9.883 1.00 0.00 H new ATOM 119 N LEU A 8 15.604 -2.922 -13.380 1.00 0.00 N ATOM 120 CA LEU A 8 16.592 -1.857 -13.513 1.00 0.00 C ATOM 121 C LEU A 8 16.126 -0.811 -14.521 1.00 0.00 C ATOM 122 O LEU A 8 16.453 -0.886 -15.705 1.00 0.00 O ATOM 123 CB LEU A 8 17.943 -2.433 -13.942 1.00 0.00 C ATOM 124 CG LEU A 8 18.951 -2.639 -12.805 1.00 0.00 C ATOM 125 CD1 LEU A 8 19.240 -4.121 -12.602 1.00 0.00 C ATOM 126 CD2 LEU A 8 20.239 -1.878 -13.086 1.00 0.00 C ATOM 0 H LEU A 8 15.850 -3.788 -13.859 1.00 0.00 H new ATOM 0 HA LEU A 8 16.706 -1.376 -12.542 1.00 0.00 H new ATOM 0 HB2 LEU A 8 17.773 -3.391 -14.434 1.00 0.00 H new ATOM 0 HB3 LEU A 8 18.386 -1.768 -14.683 1.00 0.00 H new ATOM 0 HG LEU A 8 18.513 -2.247 -11.887 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.957 -4.244 -11.791 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.316 -4.641 -12.351 1.00 0.00 H new ATOM 0 HD13 LEU A 8 19.654 -4.540 -13.519 1.00 0.00 H new ATOM 0 HD21 LEU A 8 20.941 -2.037 -12.268 1.00 0.00 H new ATOM 0 HD22 LEU A 8 20.678 -2.238 -14.016 1.00 0.00 H new ATOM 0 HD23 LEU A 8 20.021 -0.814 -13.175 1.00 0.00 H new ATOM 138 N GLU A 9 15.358 0.162 -14.042 1.00 0.00 N ATOM 139 CA GLU A 9 14.844 1.223 -14.900 1.00 0.00 C ATOM 140 C GLU A 9 15.800 2.411 -14.925 1.00 0.00 C ATOM 141 O GLU A 9 15.926 3.139 -13.942 1.00 0.00 O ATOM 142 CB GLU A 9 13.462 1.676 -14.416 1.00 0.00 C ATOM 143 CG GLU A 9 12.546 0.531 -14.011 1.00 0.00 C ATOM 144 CD GLU A 9 11.718 0.858 -12.784 1.00 0.00 C ATOM 145 OE1 GLU A 9 12.219 0.654 -11.658 1.00 0.00 O ATOM 146 OE2 GLU A 9 10.568 1.317 -12.948 1.00 0.00 O ATOM 0 H GLU A 9 15.078 0.238 -13.064 1.00 0.00 H new ATOM 0 HA GLU A 9 14.755 0.828 -15.912 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.587 2.347 -13.566 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.981 2.251 -15.207 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.881 0.291 -14.841 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.145 -0.358 -13.815 1.00 0.00 H new ATOM 153 N ARG A 10 16.469 2.602 -16.056 1.00 0.00 N ATOM 154 CA ARG A 10 17.409 3.704 -16.205 1.00 0.00 C ATOM 155 C ARG A 10 16.780 4.850 -16.992 1.00 0.00 C ATOM 156 O ARG A 10 15.992 4.623 -17.910 1.00 0.00 O ATOM 157 CB ARG A 10 18.688 3.222 -16.896 1.00 0.00 C ATOM 158 CG ARG A 10 19.853 3.011 -15.942 1.00 0.00 C ATOM 159 CD ARG A 10 20.314 1.561 -15.928 1.00 0.00 C ATOM 160 NE ARG A 10 21.465 1.345 -16.802 1.00 0.00 N ATOM 161 CZ ARG A 10 22.009 0.152 -17.029 1.00 0.00 C ATOM 162 NH1 ARG A 10 21.515 -0.934 -16.443 1.00 0.00 N ATOM 163 NH2 ARG A 10 23.051 0.043 -17.843 1.00 0.00 N ATOM 0 H ARG A 10 16.378 2.009 -16.881 1.00 0.00 H new ATOM 0 HA ARG A 10 17.665 4.072 -15.212 1.00 0.00 H new ATOM 0 HB2 ARG A 10 18.480 2.286 -17.415 1.00 0.00 H new ATOM 0 HB3 ARG A 10 18.977 3.949 -17.654 1.00 0.00 H new ATOM 0 HG2 ARG A 10 20.683 3.654 -16.234 1.00 0.00 H new ATOM 0 HG3 ARG A 10 19.558 3.309 -14.936 1.00 0.00 H new ATOM 0 HD2 ARG A 10 20.573 1.273 -14.909 1.00 0.00 H new ATOM 0 HD3 ARG A 10 19.493 0.916 -16.243 1.00 0.00 H new ATOM 0 HE ARG A 10 21.875 2.156 -17.265 1.00 0.00 H new ATOM 0 HH11 ARG A 10 20.715 -0.856 -15.815 1.00 0.00 H new ATOM 0 HH12 ARG A 10 21.936 -1.846 -16.621 1.00 0.00 H new ATOM 0 HH21 ARG A 10 23.435 0.873 -18.294 1.00 0.00 H new ATOM 0 HH22 ARG A 10 23.468 -0.871 -18.017 1.00 0.00 H new ATOM 177 N ALA A 11 17.139 6.077 -16.616 1.00 0.00 N ATOM 178 CA ALA A 11 16.623 7.284 -17.263 1.00 0.00 C ATOM 179 C ALA A 11 15.197 7.594 -16.817 1.00 0.00 C ATOM 180 O ALA A 11 14.438 8.243 -17.537 1.00 0.00 O ATOM 181 CB ALA A 11 16.696 7.175 -18.781 1.00 0.00 C ATOM 0 H ALA A 11 17.794 6.263 -15.856 1.00 0.00 H new ATOM 0 HA ALA A 11 17.260 8.111 -16.950 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.305 8.088 -19.231 1.00 0.00 H new ATOM 0 HB2 ALA A 11 17.733 7.035 -19.086 1.00 0.00 H new ATOM 0 HB3 ALA A 11 16.102 6.324 -19.114 1.00 0.00 H new ATOM 187 N ILE A 12 14.845 7.143 -15.618 1.00 0.00 N ATOM 188 CA ILE A 12 13.519 7.390 -15.063 1.00 0.00 C ATOM 189 C ILE A 12 13.607 8.386 -13.908 1.00 0.00 C ATOM 190 O ILE A 12 12.632 9.063 -13.580 1.00 0.00 O ATOM 191 CB ILE A 12 12.848 6.080 -14.578 1.00 0.00 C ATOM 192 CG1 ILE A 12 12.396 5.237 -15.775 1.00 0.00 C ATOM 193 CG2 ILE A 12 11.661 6.380 -13.670 1.00 0.00 C ATOM 194 CD1 ILE A 12 13.529 4.515 -16.469 1.00 0.00 C ATOM 0 H ILE A 12 15.461 6.603 -15.010 1.00 0.00 H new ATOM 0 HA ILE A 12 12.902 7.809 -15.858 1.00 0.00 H new ATOM 0 HB ILE A 12 13.584 5.515 -14.006 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.663 4.505 -15.437 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.893 5.883 -16.495 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.207 5.444 -13.343 1.00 0.00 H new ATOM 0 HG22 ILE A 12 12.001 6.942 -12.800 1.00 0.00 H new ATOM 0 HG23 ILE A 12 10.924 6.969 -14.217 1.00 0.00 H new ATOM 0 HD11 ILE A 12 13.135 3.939 -17.306 1.00 0.00 H new ATOM 0 HD12 ILE A 12 14.252 5.242 -16.838 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.018 3.843 -15.764 1.00 0.00 H new ATOM 206 N ASP A 13 14.787 8.469 -13.298 1.00 0.00 N ATOM 207 CA ASP A 13 15.010 9.381 -12.182 1.00 0.00 C ATOM 208 C ASP A 13 16.434 9.949 -12.187 1.00 0.00 C ATOM 209 O ASP A 13 16.699 10.968 -11.549 1.00 0.00 O ATOM 210 CB ASP A 13 14.737 8.671 -10.856 1.00 0.00 C ATOM 211 CG ASP A 13 13.340 8.939 -10.333 1.00 0.00 C ATOM 212 OD1 ASP A 13 12.373 8.406 -10.919 1.00 0.00 O ATOM 213 OD2 ASP A 13 13.211 9.681 -9.338 1.00 0.00 O ATOM 0 H ASP A 13 15.603 7.915 -13.559 1.00 0.00 H new ATOM 0 HA ASP A 13 14.317 10.215 -12.297 1.00 0.00 H new ATOM 0 HB2 ASP A 13 14.873 7.598 -10.987 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.468 8.997 -10.116 1.00 0.00 H new ATOM 218 N GLN A 14 17.349 9.292 -12.900 1.00 0.00 N ATOM 219 CA GLN A 14 18.734 9.750 -12.967 1.00 0.00 C ATOM 220 C GLN A 14 18.940 10.710 -14.137 1.00 0.00 C ATOM 221 O GLN A 14 19.089 11.916 -13.944 1.00 0.00 O ATOM 222 CB GLN A 14 19.684 8.556 -13.099 1.00 0.00 C ATOM 223 CG GLN A 14 19.802 7.726 -11.830 1.00 0.00 C ATOM 224 CD GLN A 14 21.243 7.438 -11.447 1.00 0.00 C ATOM 225 OE1 GLN A 14 21.688 7.788 -10.355 1.00 0.00 O ATOM 226 NE2 GLN A 14 21.981 6.797 -12.348 1.00 0.00 N ATOM 0 H GLN A 14 17.156 8.446 -13.436 1.00 0.00 H new ATOM 0 HA GLN A 14 18.956 10.283 -12.042 1.00 0.00 H new ATOM 0 HB2 GLN A 14 19.338 7.916 -13.911 1.00 0.00 H new ATOM 0 HB3 GLN A 14 20.673 8.919 -13.379 1.00 0.00 H new ATOM 0 HG2 GLN A 14 19.311 8.251 -11.011 1.00 0.00 H new ATOM 0 HG3 GLN A 14 19.272 6.783 -11.967 1.00 0.00 H new ATOM 0 HE21 GLN A 14 21.572 6.525 -13.242 1.00 0.00 H new ATOM 0 HE22 GLN A 14 22.956 6.577 -12.145 1.00 0.00 H new ATOM 235 N LEU A 15 18.948 10.166 -15.349 1.00 0.00 N ATOM 236 CA LEU A 15 19.137 10.967 -16.556 1.00 0.00 C ATOM 237 C LEU A 15 18.150 12.136 -16.601 1.00 0.00 C ATOM 238 O LEU A 15 16.966 11.964 -16.314 1.00 0.00 O ATOM 239 CB LEU A 15 18.956 10.079 -17.791 1.00 0.00 C ATOM 240 CG LEU A 15 19.255 10.745 -19.139 1.00 0.00 C ATOM 241 CD1 LEU A 15 20.389 10.025 -19.860 1.00 0.00 C ATOM 242 CD2 LEU A 15 18.005 10.773 -20.008 1.00 0.00 C ATOM 0 H LEU A 15 18.825 9.169 -15.523 1.00 0.00 H new ATOM 0 HA LEU A 15 20.146 11.379 -16.545 1.00 0.00 H new ATOM 0 HB2 LEU A 15 19.602 9.207 -17.686 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.929 9.715 -17.806 1.00 0.00 H new ATOM 0 HG LEU A 15 19.569 11.771 -18.949 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.583 10.516 -20.814 1.00 0.00 H new ATOM 0 HD12 LEU A 15 21.289 10.057 -19.246 1.00 0.00 H new ATOM 0 HD13 LEU A 15 20.107 8.987 -20.037 1.00 0.00 H new ATOM 0 HD21 LEU A 15 18.235 11.249 -20.961 1.00 0.00 H new ATOM 0 HD22 LEU A 15 17.662 9.754 -20.185 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.222 11.336 -19.501 1.00 0.00 H new ATOM 254 N PRO A 16 18.620 13.346 -16.973 1.00 0.00 N ATOM 255 CA PRO A 16 17.770 14.537 -17.063 1.00 0.00 C ATOM 256 C PRO A 16 16.449 14.244 -17.772 1.00 0.00 C ATOM 257 O PRO A 16 16.441 13.735 -18.893 1.00 0.00 O ATOM 258 CB PRO A 16 18.615 15.527 -17.885 1.00 0.00 C ATOM 259 CG PRO A 16 19.798 14.745 -18.363 1.00 0.00 C ATOM 260 CD PRO A 16 20.001 13.661 -17.348 1.00 0.00 C ATOM 0 HA PRO A 16 17.493 14.916 -16.079 1.00 0.00 H new ATOM 0 HB2 PRO A 16 18.045 15.927 -18.723 1.00 0.00 H new ATOM 0 HB3 PRO A 16 18.926 16.376 -17.277 1.00 0.00 H new ATOM 0 HG2 PRO A 16 19.617 14.326 -19.353 1.00 0.00 H new ATOM 0 HG3 PRO A 16 20.681 15.379 -18.442 1.00 0.00 H new ATOM 0 HD2 PRO A 16 20.519 12.798 -17.768 1.00 0.00 H new ATOM 0 HD3 PRO A 16 20.589 14.002 -16.496 1.00 0.00 H new ATOM 268 N PRO A 17 15.307 14.555 -17.130 1.00 0.00 N ATOM 269 CA PRO A 17 13.989 14.310 -17.719 1.00 0.00 C ATOM 270 C PRO A 17 13.792 15.066 -19.032 1.00 0.00 C ATOM 271 O PRO A 17 14.017 14.514 -20.108 1.00 0.00 O ATOM 272 CB PRO A 17 13.007 14.797 -16.647 1.00 0.00 C ATOM 273 CG PRO A 17 13.805 15.702 -15.770 1.00 0.00 C ATOM 274 CD PRO A 17 15.208 15.165 -15.793 1.00 0.00 C ATOM 0 HA PRO A 17 13.849 13.261 -17.978 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.165 15.324 -17.095 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.596 13.961 -16.081 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.773 16.728 -16.136 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.407 15.713 -14.755 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.945 15.956 -15.655 1.00 0.00 H new ATOM 0 HD3 PRO A 17 15.373 14.433 -15.002 1.00 0.00 H new ATOM 282 N GLU A 18 13.375 16.328 -18.941 1.00 0.00 N ATOM 283 CA GLU A 18 13.152 17.149 -20.125 1.00 0.00 C ATOM 284 C GLU A 18 12.010 16.589 -20.967 1.00 0.00 C ATOM 285 O GLU A 18 10.929 17.174 -21.037 1.00 0.00 O ATOM 286 CB GLU A 18 14.427 17.231 -20.968 1.00 0.00 C ATOM 287 CG GLU A 18 15.172 18.547 -20.816 1.00 0.00 C ATOM 288 CD GLU A 18 15.921 18.643 -19.501 1.00 0.00 C ATOM 289 OE1 GLU A 18 16.570 17.649 -19.115 1.00 0.00 O ATOM 290 OE2 GLU A 18 15.857 19.711 -18.858 1.00 0.00 O ATOM 0 H GLU A 18 13.185 16.802 -18.058 1.00 0.00 H new ATOM 0 HA GLU A 18 12.881 18.151 -19.793 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.091 16.413 -20.689 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.169 17.088 -22.017 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.876 18.659 -21.640 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.463 19.372 -20.888 1.00 0.00 H new ATOM 297 N VAL A 19 12.260 15.451 -21.605 1.00 0.00 N ATOM 298 CA VAL A 19 11.257 14.809 -22.445 1.00 0.00 C ATOM 299 C VAL A 19 10.196 14.119 -21.597 1.00 0.00 C ATOM 300 O VAL A 19 10.384 13.902 -20.400 1.00 0.00 O ATOM 301 CB VAL A 19 11.881 13.772 -23.405 1.00 0.00 C ATOM 302 CG1 VAL A 19 10.940 13.493 -24.567 1.00 0.00 C ATOM 303 CG2 VAL A 19 13.236 14.243 -23.917 1.00 0.00 C ATOM 0 H VAL A 19 13.149 14.954 -21.556 1.00 0.00 H new ATOM 0 HA VAL A 19 10.799 15.601 -23.037 1.00 0.00 H new ATOM 0 HB VAL A 19 12.035 12.847 -22.850 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.394 12.761 -25.235 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.997 13.101 -24.186 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.754 14.417 -25.115 1.00 0.00 H new ATOM 0 HG21 VAL A 19 13.651 13.493 -24.590 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.115 15.185 -24.453 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.913 14.389 -23.075 1.00 0.00 H new ATOM 313 N PHE A 20 9.077 13.785 -22.225 1.00 0.00 N ATOM 314 CA PHE A 20 7.976 13.126 -21.536 1.00 0.00 C ATOM 315 C PHE A 20 8.217 11.620 -21.415 1.00 0.00 C ATOM 316 O PHE A 20 8.935 11.031 -22.223 1.00 0.00 O ATOM 317 CB PHE A 20 6.672 13.388 -22.282 1.00 0.00 C ATOM 318 CG PHE A 20 6.341 14.847 -22.429 1.00 0.00 C ATOM 319 CD1 PHE A 20 5.891 15.583 -21.343 1.00 0.00 C ATOM 320 CD2 PHE A 20 6.480 15.484 -23.652 1.00 0.00 C ATOM 321 CE1 PHE A 20 5.587 16.925 -21.475 1.00 0.00 C ATOM 322 CE2 PHE A 20 6.176 16.825 -23.790 1.00 0.00 C ATOM 323 CZ PHE A 20 5.730 17.547 -22.700 1.00 0.00 C ATOM 0 H PHE A 20 8.907 13.961 -23.215 1.00 0.00 H new ATOM 0 HA PHE A 20 7.909 13.537 -20.529 1.00 0.00 H new ATOM 0 HB2 PHE A 20 6.734 12.937 -23.272 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.857 12.891 -21.756 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.777 15.102 -20.383 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.830 14.926 -24.508 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.238 17.487 -20.621 1.00 0.00 H new ATOM 0 HE2 PHE A 20 6.287 17.308 -24.749 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.494 18.596 -22.805 1.00 0.00 H new ATOM 333 N GLU A 21 7.607 11.004 -20.401 1.00 0.00 N ATOM 334 CA GLU A 21 7.753 9.566 -20.173 1.00 0.00 C ATOM 335 C GLU A 21 6.603 9.028 -19.323 1.00 0.00 C ATOM 336 O GLU A 21 6.028 9.750 -18.508 1.00 0.00 O ATOM 337 CB GLU A 21 9.092 9.272 -19.492 1.00 0.00 C ATOM 338 CG GLU A 21 10.138 8.695 -20.432 1.00 0.00 C ATOM 339 CD GLU A 21 11.462 8.434 -19.741 1.00 0.00 C ATOM 340 OE1 GLU A 21 11.449 7.880 -18.622 1.00 0.00 O ATOM 341 OE2 GLU A 21 12.512 8.783 -20.320 1.00 0.00 O ATOM 0 H GLU A 21 7.008 11.478 -19.725 1.00 0.00 H new ATOM 0 HA GLU A 21 7.727 9.064 -21.140 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.477 10.193 -19.054 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.927 8.573 -18.672 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.765 7.764 -20.857 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.295 9.384 -21.262 1.00 0.00 H new ATOM 348 N THR A 22 6.273 7.752 -19.517 1.00 0.00 N ATOM 349 CA THR A 22 5.190 7.118 -18.768 1.00 0.00 C ATOM 350 C THR A 22 5.738 6.210 -17.670 1.00 0.00 C ATOM 351 O THR A 22 6.735 5.516 -17.864 1.00 0.00 O ATOM 352 CB THR A 22 4.296 6.309 -19.708 1.00 0.00 C ATOM 353 OG1 THR A 22 3.371 5.528 -18.970 1.00 0.00 O ATOM 354 CG2 THR A 22 5.068 5.371 -20.612 1.00 0.00 C ATOM 0 H THR A 22 6.739 7.138 -20.185 1.00 0.00 H new ATOM 0 HA THR A 22 4.601 7.907 -18.301 1.00 0.00 H new ATOM 0 HB THR A 22 3.787 7.047 -20.328 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.806 5.019 -19.588 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.373 4.828 -21.252 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.757 5.946 -21.230 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.631 4.662 -20.005 1.00 0.00 H new ATOM 362 N LYS A 23 5.073 6.216 -16.518 1.00 0.00 N ATOM 363 CA LYS A 23 5.490 5.387 -15.390 1.00 0.00 C ATOM 364 C LYS A 23 4.660 4.106 -15.312 1.00 0.00 C ATOM 365 O LYS A 23 3.488 4.089 -15.689 1.00 0.00 O ATOM 366 CB LYS A 23 5.391 6.161 -14.068 1.00 0.00 C ATOM 367 CG LYS A 23 4.150 7.035 -13.940 1.00 0.00 C ATOM 368 CD LYS A 23 3.001 6.287 -13.283 1.00 0.00 C ATOM 369 CE LYS A 23 2.232 7.178 -12.319 1.00 0.00 C ATOM 370 NZ LYS A 23 1.879 8.492 -12.928 1.00 0.00 N ATOM 0 H LYS A 23 4.245 6.784 -16.341 1.00 0.00 H new ATOM 0 HA LYS A 23 6.533 5.114 -15.553 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.405 5.449 -13.243 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.275 6.790 -13.962 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.389 7.923 -13.354 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.843 7.378 -14.928 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.324 5.911 -14.051 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.389 5.420 -12.748 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.321 6.669 -12.004 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.831 7.343 -11.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.051 8.889 -12.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.683 9.145 -12.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.657 8.359 -13.935 1.00 0.00 H new ATOM 384 N ARG A 24 5.279 3.037 -14.820 1.00 0.00 N ATOM 385 CA ARG A 24 4.605 1.748 -14.688 1.00 0.00 C ATOM 386 C ARG A 24 3.982 1.604 -13.301 1.00 0.00 C ATOM 387 O ARG A 24 4.460 0.828 -12.473 1.00 0.00 O ATOM 388 CB ARG A 24 5.597 0.608 -14.935 1.00 0.00 C ATOM 389 CG ARG A 24 5.770 0.252 -16.403 1.00 0.00 C ATOM 390 CD ARG A 24 4.993 -1.003 -16.766 1.00 0.00 C ATOM 391 NE ARG A 24 4.305 -0.869 -18.050 1.00 0.00 N ATOM 392 CZ ARG A 24 4.745 -1.393 -19.194 1.00 0.00 C ATOM 393 NH1 ARG A 24 5.885 -2.073 -19.233 1.00 0.00 N ATOM 394 NH2 ARG A 24 4.041 -1.230 -20.306 1.00 0.00 N ATOM 0 H ARG A 24 6.249 3.037 -14.505 1.00 0.00 H new ATOM 0 HA ARG A 24 3.810 1.698 -15.432 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.566 0.887 -14.522 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.262 -0.277 -14.393 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.432 1.083 -17.022 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.828 0.102 -16.620 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.675 -1.852 -16.807 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.264 -1.217 -15.984 1.00 0.00 H new ATOM 0 HE ARG A 24 3.433 -0.341 -18.071 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.433 -2.199 -18.382 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.212 -2.470 -20.114 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.167 -0.705 -20.284 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.374 -1.629 -21.184 1.00 0.00 H new ATOM 408 N PHE A 25 2.922 2.365 -13.050 1.00 0.00 N ATOM 409 CA PHE A 25 2.245 2.329 -11.757 1.00 0.00 C ATOM 410 C PHE A 25 1.032 1.399 -11.776 1.00 0.00 C ATOM 411 O PHE A 25 -0.007 1.731 -12.346 1.00 0.00 O ATOM 412 CB PHE A 25 1.817 3.742 -11.353 1.00 0.00 C ATOM 413 CG PHE A 25 2.839 4.467 -10.518 1.00 0.00 C ATOM 414 CD1 PHE A 25 4.175 4.094 -10.551 1.00 0.00 C ATOM 415 CD2 PHE A 25 2.464 5.523 -9.703 1.00 0.00 C ATOM 416 CE1 PHE A 25 5.114 4.758 -9.788 1.00 0.00 C ATOM 417 CE2 PHE A 25 3.400 6.191 -8.937 1.00 0.00 C ATOM 418 CZ PHE A 25 4.727 5.807 -8.980 1.00 0.00 C ATOM 0 H PHE A 25 2.513 3.013 -13.723 1.00 0.00 H new ATOM 0 HA PHE A 25 2.950 1.937 -11.024 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.617 4.323 -12.253 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.881 3.684 -10.797 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.484 3.274 -11.182 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.428 5.827 -9.666 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.151 4.457 -9.823 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.095 7.012 -8.305 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.460 6.328 -8.382 1.00 0.00 H new ATOM 428 N GLU A 26 1.171 0.241 -11.132 1.00 0.00 N ATOM 429 CA GLU A 26 0.084 -0.735 -11.058 1.00 0.00 C ATOM 430 C GLU A 26 0.076 -1.442 -9.704 1.00 0.00 C ATOM 431 O GLU A 26 0.944 -2.267 -9.421 1.00 0.00 O ATOM 432 CB GLU A 26 0.211 -1.779 -12.171 1.00 0.00 C ATOM 433 CG GLU A 26 0.050 -1.214 -13.572 1.00 0.00 C ATOM 434 CD GLU A 26 -1.307 -1.525 -14.174 1.00 0.00 C ATOM 435 OE1 GLU A 26 -1.669 -2.719 -14.239 1.00 0.00 O ATOM 436 OE2 GLU A 26 -2.007 -0.574 -14.582 1.00 0.00 O ATOM 0 H GLU A 26 2.026 -0.045 -10.654 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.852 -0.191 -11.182 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.186 -2.259 -12.094 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.539 -2.554 -12.015 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.191 -0.134 -13.542 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.831 -1.620 -14.215 1.00 0.00 H new ATOM 443 N VAL A 27 -0.914 -1.125 -8.876 1.00 0.00 N ATOM 444 CA VAL A 27 -1.036 -1.742 -7.560 1.00 0.00 C ATOM 445 C VAL A 27 -2.495 -1.799 -7.111 1.00 0.00 C ATOM 446 O VAL A 27 -2.840 -1.316 -6.031 1.00 0.00 O ATOM 447 CB VAL A 27 -0.214 -0.984 -6.499 1.00 0.00 C ATOM 448 CG1 VAL A 27 -0.253 -1.718 -5.166 1.00 0.00 C ATOM 449 CG2 VAL A 27 1.222 -0.791 -6.966 1.00 0.00 C ATOM 0 H VAL A 27 -1.643 -0.445 -9.093 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.645 -2.755 -7.652 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.661 0.001 -6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.333 -1.167 -4.430 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.285 -1.796 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.165 -2.717 -5.288 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.784 -0.254 -6.202 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.682 -1.764 -7.138 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.229 -0.217 -7.893 1.00 0.00 H new ATOM 459 N PRO A 28 -3.380 -2.386 -7.936 1.00 0.00 N ATOM 460 CA PRO A 28 -4.803 -2.491 -7.607 1.00 0.00 C ATOM 461 C PRO A 28 -5.045 -3.093 -6.231 1.00 0.00 C ATOM 462 O PRO A 28 -4.152 -3.702 -5.641 1.00 0.00 O ATOM 463 CB PRO A 28 -5.358 -3.406 -8.696 1.00 0.00 C ATOM 464 CG PRO A 28 -4.437 -3.209 -9.849 1.00 0.00 C ATOM 465 CD PRO A 28 -3.075 -2.985 -9.250 1.00 0.00 C ATOM 0 HA PRO A 28 -5.280 -1.511 -7.572 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.372 -4.447 -8.372 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.382 -3.139 -8.955 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.438 -4.080 -10.504 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.744 -2.355 -10.454 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.521 -3.918 -9.148 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.469 -2.320 -9.865 1.00 0.00 H new ATOM 473 N LYS A 29 -6.261 -2.916 -5.723 1.00 0.00 N ATOM 474 CA LYS A 29 -6.625 -3.440 -4.415 1.00 0.00 C ATOM 475 C LYS A 29 -5.805 -2.759 -3.321 1.00 0.00 C ATOM 476 O LYS A 29 -5.272 -1.668 -3.532 1.00 0.00 O ATOM 477 CB LYS A 29 -6.437 -4.962 -4.388 1.00 0.00 C ATOM 478 CG LYS A 29 -7.740 -5.728 -4.552 1.00 0.00 C ATOM 479 CD LYS A 29 -8.277 -6.208 -3.215 1.00 0.00 C ATOM 480 CE LYS A 29 -7.974 -7.679 -2.988 1.00 0.00 C ATOM 481 NZ LYS A 29 -8.868 -8.559 -3.791 1.00 0.00 N ATOM 0 H LYS A 29 -7.010 -2.413 -6.199 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.676 -3.225 -4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.750 -5.251 -5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.971 -5.248 -3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.480 -5.089 -5.034 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.580 -6.583 -5.209 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.837 -5.617 -2.412 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.354 -6.047 -3.176 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.935 -7.881 -3.250 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.088 -7.914 -1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.676 -9.554 -3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.860 -8.337 -3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.693 -8.401 -4.804 1.00 0.00 H new ATOM 495 N ALA A 30 -5.720 -3.392 -2.150 1.00 0.00 N ATOM 496 CA ALA A 30 -4.981 -2.838 -1.020 1.00 0.00 C ATOM 497 C ALA A 30 -5.832 -1.810 -0.289 1.00 0.00 C ATOM 498 O ALA A 30 -5.662 -0.609 -0.468 1.00 0.00 O ATOM 499 CB ALA A 30 -3.660 -2.222 -1.470 1.00 0.00 C ATOM 0 H ALA A 30 -6.157 -4.294 -1.961 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.749 -3.653 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.134 -1.818 -0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.045 -2.987 -1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.856 -1.420 -2.182 1.00 0.00 H new ATOM 505 N TYR A 31 -6.762 -2.288 0.525 1.00 0.00 N ATOM 506 CA TYR A 31 -7.645 -1.396 1.260 1.00 0.00 C ATOM 507 C TYR A 31 -8.067 -2.007 2.594 1.00 0.00 C ATOM 508 O TYR A 31 -8.607 -3.113 2.645 1.00 0.00 O ATOM 509 CB TYR A 31 -8.872 -1.058 0.407 1.00 0.00 C ATOM 510 CG TYR A 31 -9.744 -2.250 0.080 1.00 0.00 C ATOM 511 CD1 TYR A 31 -9.228 -3.363 -0.573 1.00 0.00 C ATOM 512 CD2 TYR A 31 -11.090 -2.259 0.424 1.00 0.00 C ATOM 513 CE1 TYR A 31 -10.027 -4.450 -0.870 1.00 0.00 C ATOM 514 CE2 TYR A 31 -11.894 -3.343 0.131 1.00 0.00 C ATOM 515 CZ TYR A 31 -11.357 -4.435 -0.515 1.00 0.00 C ATOM 516 OH TYR A 31 -12.156 -5.514 -0.811 1.00 0.00 O ATOM 0 H TYR A 31 -6.924 -3.281 0.692 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.100 -0.477 1.478 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.473 -0.315 0.932 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.539 -0.599 -0.524 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.185 -3.378 -0.853 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.515 -1.404 0.929 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.610 -5.307 -1.378 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.938 -3.335 0.407 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.067 -5.344 -0.492 1.00 0.00 H new ATOM 526 N SER A 32 -7.804 -1.273 3.673 1.00 0.00 N ATOM 527 CA SER A 32 -8.135 -1.718 5.024 1.00 0.00 C ATOM 528 C SER A 32 -9.636 -1.700 5.281 1.00 0.00 C ATOM 529 O SER A 32 -10.435 -1.442 4.380 1.00 0.00 O ATOM 530 CB SER A 32 -7.436 -0.824 6.044 1.00 0.00 C ATOM 531 OG SER A 32 -6.118 -0.514 5.630 1.00 0.00 O ATOM 0 H SER A 32 -7.357 -0.357 3.636 1.00 0.00 H new ATOM 0 HA SER A 32 -7.792 -2.748 5.124 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.005 0.096 6.176 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.409 -1.324 7.012 1.00 0.00 H new ATOM 0 HG SER A 32 -5.567 -1.324 5.658 1.00 0.00 H new ATOM 537 N VAL A 33 -10.009 -1.984 6.525 1.00 0.00 N ATOM 538 CA VAL A 33 -11.410 -2.008 6.920 1.00 0.00 C ATOM 539 C VAL A 33 -11.613 -1.366 8.289 1.00 0.00 C ATOM 540 O VAL A 33 -10.835 -1.590 9.217 1.00 0.00 O ATOM 541 CB VAL A 33 -11.958 -3.446 6.948 1.00 0.00 C ATOM 542 CG1 VAL A 33 -12.411 -3.867 5.558 1.00 0.00 C ATOM 543 CG2 VAL A 33 -10.919 -4.413 7.488 1.00 0.00 C ATOM 0 H VAL A 33 -9.356 -2.201 7.278 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.958 -1.432 6.174 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.819 -3.470 7.616 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.796 -4.886 5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.196 -3.195 5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.566 -3.822 4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.331 -5.422 7.497 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.034 -4.388 6.852 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.645 -4.124 8.503 1.00 0.00 H new ATOM 553 N ILE A 34 -12.662 -0.558 8.400 1.00 0.00 N ATOM 554 CA ILE A 34 -12.979 0.136 9.644 1.00 0.00 C ATOM 555 C ILE A 34 -14.006 -0.641 10.463 1.00 0.00 C ATOM 556 O ILE A 34 -14.831 -1.370 9.911 1.00 0.00 O ATOM 557 CB ILE A 34 -13.539 1.547 9.363 1.00 0.00 C ATOM 558 CG1 ILE A 34 -12.734 2.242 8.261 1.00 0.00 C ATOM 559 CG2 ILE A 34 -13.541 2.391 10.630 1.00 0.00 C ATOM 560 CD1 ILE A 34 -13.599 2.844 7.176 1.00 0.00 C ATOM 0 H ILE A 34 -13.312 -0.366 7.637 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.050 0.216 10.209 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.568 1.438 9.021 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.124 3.027 8.707 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.049 1.522 7.812 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -13.940 3.381 10.407 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -14.163 1.911 11.386 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -12.522 2.486 11.005 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.965 3.320 6.428 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.190 2.059 6.704 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.266 3.587 7.613 1.00 0.00 H new ATOM 572 N GLN A 35 -13.959 -0.470 11.780 1.00 0.00 N ATOM 573 CA GLN A 35 -14.892 -1.144 12.672 1.00 0.00 C ATOM 574 C GLN A 35 -14.963 -0.427 14.017 1.00 0.00 C ATOM 575 O GLN A 35 -14.160 -0.687 14.909 1.00 0.00 O ATOM 576 CB GLN A 35 -14.479 -2.604 12.870 1.00 0.00 C ATOM 577 CG GLN A 35 -15.630 -3.583 12.711 1.00 0.00 C ATOM 578 CD GLN A 35 -15.893 -3.937 11.262 1.00 0.00 C ATOM 579 OE1 GLN A 35 -15.382 -4.934 10.750 1.00 0.00 O ATOM 580 NE2 GLN A 35 -16.696 -3.120 10.590 1.00 0.00 N ATOM 0 H GLN A 35 -13.283 0.131 12.253 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.882 -1.120 12.216 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.698 -2.853 12.152 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.047 -2.720 13.864 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.409 -4.492 13.270 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.532 -3.153 13.146 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.098 -2.305 11.053 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.911 -3.308 9.611 1.00 0.00 H new ATOM 589 N GLY A 36 -15.924 0.483 14.147 1.00 0.00 N ATOM 590 CA GLY A 36 -16.074 1.231 15.382 1.00 0.00 C ATOM 591 C GLY A 36 -14.929 2.198 15.598 1.00 0.00 C ATOM 592 O GLY A 36 -15.092 3.411 15.459 1.00 0.00 O ATOM 0 H GLY A 36 -16.601 0.715 13.420 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.015 1.781 15.362 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.128 0.538 16.222 1.00 0.00 H new ATOM 596 N ASN A 37 -13.764 1.654 15.927 1.00 0.00 N ATOM 597 CA ASN A 37 -12.574 2.464 16.152 1.00 0.00 C ATOM 598 C ASN A 37 -11.306 1.639 15.937 1.00 0.00 C ATOM 599 O ASN A 37 -10.226 2.016 16.391 1.00 0.00 O ATOM 600 CB ASN A 37 -12.583 3.044 17.569 1.00 0.00 C ATOM 601 CG ASN A 37 -12.960 2.013 18.616 1.00 0.00 C ATOM 602 OD1 ASN A 37 -14.031 2.085 19.218 1.00 0.00 O ATOM 603 ND2 ASN A 37 -12.074 1.049 18.841 1.00 0.00 N ATOM 0 H ASN A 37 -13.618 0.651 16.044 1.00 0.00 H new ATOM 0 HA ASN A 37 -12.582 3.283 15.432 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.597 3.447 17.799 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -13.286 3.876 17.613 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -12.269 0.329 19.537 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -11.199 1.029 18.318 1.00 0.00 H new ATOM 610 N ARG A 38 -11.443 0.513 15.237 1.00 0.00 N ATOM 611 CA ARG A 38 -10.307 -0.359 14.961 1.00 0.00 C ATOM 612 C ARG A 38 -10.222 -0.666 13.469 1.00 0.00 C ATOM 613 O ARG A 38 -11.243 -0.833 12.801 1.00 0.00 O ATOM 614 CB ARG A 38 -10.408 -1.669 15.762 1.00 0.00 C ATOM 615 CG ARG A 38 -11.379 -1.624 16.940 1.00 0.00 C ATOM 616 CD ARG A 38 -12.583 -2.521 16.714 1.00 0.00 C ATOM 617 NE ARG A 38 -12.961 -3.245 17.927 1.00 0.00 N ATOM 618 CZ ARG A 38 -12.801 -4.556 18.099 1.00 0.00 C ATOM 619 NH1 ARG A 38 -12.238 -5.301 17.154 1.00 0.00 N ATOM 620 NH2 ARG A 38 -13.199 -5.127 19.227 1.00 0.00 N ATOM 0 H ARG A 38 -12.329 0.186 14.852 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.401 0.163 15.269 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.714 -2.469 15.087 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.417 -1.928 16.135 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.862 -1.932 17.849 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.714 -0.599 17.096 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.425 -1.919 16.374 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.360 -3.234 15.920 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.374 -2.711 18.691 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.923 -4.870 16.285 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.121 -6.304 17.298 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.627 -4.563 19.961 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.078 -6.131 19.361 1.00 0.00 H new ATOM 634 N THR A 39 -8.999 -0.748 12.953 1.00 0.00 N ATOM 635 CA THR A 39 -8.782 -1.041 11.542 1.00 0.00 C ATOM 636 C THR A 39 -8.241 -2.469 11.374 1.00 0.00 C ATOM 637 O THR A 39 -7.166 -2.801 11.875 1.00 0.00 O ATOM 638 CB THR A 39 -7.858 0.026 10.924 1.00 0.00 C ATOM 639 OG1 THR A 39 -8.493 0.639 9.816 1.00 0.00 O ATOM 640 CG2 THR A 39 -6.530 -0.484 10.427 1.00 0.00 C ATOM 0 H THR A 39 -8.143 -0.615 13.492 1.00 0.00 H new ATOM 0 HA THR A 39 -9.728 -0.999 11.003 1.00 0.00 H new ATOM 0 HB THR A 39 -7.666 0.717 11.745 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.278 1.595 9.803 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.955 0.343 10.011 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.978 -0.929 11.255 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.695 -1.236 9.655 1.00 0.00 H new ATOM 648 N PHE A 40 -9.016 -3.321 10.701 1.00 0.00 N ATOM 649 CA PHE A 40 -8.636 -4.721 10.508 1.00 0.00 C ATOM 650 C PHE A 40 -7.788 -4.920 9.253 1.00 0.00 C ATOM 651 O PHE A 40 -8.271 -5.433 8.244 1.00 0.00 O ATOM 652 CB PHE A 40 -9.879 -5.611 10.404 1.00 0.00 C ATOM 653 CG PHE A 40 -10.742 -5.661 11.636 1.00 0.00 C ATOM 654 CD1 PHE A 40 -10.942 -4.537 12.425 1.00 0.00 C ATOM 655 CD2 PHE A 40 -11.370 -6.843 11.992 1.00 0.00 C ATOM 656 CE1 PHE A 40 -11.747 -4.598 13.547 1.00 0.00 C ATOM 657 CE2 PHE A 40 -12.176 -6.908 13.111 1.00 0.00 C ATOM 658 CZ PHE A 40 -12.366 -5.785 13.889 1.00 0.00 C ATOM 0 H PHE A 40 -9.910 -3.066 10.281 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.043 -5.003 11.378 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -10.487 -5.261 9.569 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.560 -6.625 10.163 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.464 -3.606 12.160 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -11.227 -7.726 11.386 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.892 -3.718 14.156 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -12.657 -7.837 13.377 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.997 -5.833 14.764 1.00 0.00 H new ATOM 668 N ILE A 41 -6.523 -4.537 9.324 1.00 0.00 N ATOM 669 CA ILE A 41 -5.617 -4.699 8.190 1.00 0.00 C ATOM 670 C ILE A 41 -5.541 -6.171 7.773 1.00 0.00 C ATOM 671 O ILE A 41 -5.122 -7.020 8.559 1.00 0.00 O ATOM 672 CB ILE A 41 -4.189 -4.176 8.528 1.00 0.00 C ATOM 673 CG1 ILE A 41 -3.900 -2.899 7.745 1.00 0.00 C ATOM 674 CG2 ILE A 41 -3.102 -5.210 8.239 1.00 0.00 C ATOM 675 CD1 ILE A 41 -4.738 -1.728 8.188 1.00 0.00 C ATOM 0 H ILE A 41 -6.099 -4.113 10.149 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.013 -4.109 7.363 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.171 -3.972 9.599 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.846 -2.645 7.854 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.076 -3.083 6.685 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.127 -4.794 8.492 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.281 -6.103 8.837 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.121 -5.472 7.181 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.483 -0.852 7.592 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.794 -1.964 8.053 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.544 -1.519 9.240 1.00 0.00 H new ATOM 687 N GLN A 42 -5.927 -6.469 6.537 1.00 0.00 N ATOM 688 CA GLN A 42 -5.870 -7.843 6.037 1.00 0.00 C ATOM 689 C GLN A 42 -4.680 -8.006 5.105 1.00 0.00 C ATOM 690 O GLN A 42 -3.953 -8.997 5.173 1.00 0.00 O ATOM 691 CB GLN A 42 -7.167 -8.237 5.324 1.00 0.00 C ATOM 692 CG GLN A 42 -7.735 -7.154 4.422 1.00 0.00 C ATOM 693 CD GLN A 42 -9.129 -6.727 4.832 1.00 0.00 C ATOM 694 OE1 GLN A 42 -9.806 -7.418 5.595 1.00 0.00 O ATOM 695 NE2 GLN A 42 -9.568 -5.586 4.321 1.00 0.00 N ATOM 0 H GLN A 42 -6.280 -5.786 5.866 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.751 -8.509 6.891 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.984 -9.131 4.728 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.915 -8.500 6.072 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.074 -6.288 4.440 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.758 -7.517 3.394 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.973 -5.046 3.693 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.501 -5.248 4.556 1.00 0.00 H new ATOM 704 N ASN A 43 -4.476 -7.015 4.250 1.00 0.00 N ATOM 705 CA ASN A 43 -3.359 -7.029 3.317 1.00 0.00 C ATOM 706 C ASN A 43 -2.335 -5.965 3.705 1.00 0.00 C ATOM 707 O ASN A 43 -2.015 -5.083 2.911 1.00 0.00 O ATOM 708 CB ASN A 43 -3.850 -6.796 1.887 1.00 0.00 C ATOM 709 CG ASN A 43 -4.634 -5.509 1.753 1.00 0.00 C ATOM 710 OD1 ASN A 43 -4.076 -4.462 1.438 1.00 0.00 O ATOM 711 ND2 ASN A 43 -5.938 -5.583 1.996 1.00 0.00 N ATOM 0 H ASN A 43 -5.071 -6.189 4.183 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.883 -8.008 3.362 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.995 -6.770 1.211 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.475 -7.634 1.579 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.518 -4.747 1.924 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.359 -6.475 2.255 1.00 0.00 H new ATOM 718 N PHE A 44 -1.830 -6.046 4.936 1.00 0.00 N ATOM 719 CA PHE A 44 -0.850 -5.075 5.429 1.00 0.00 C ATOM 720 C PHE A 44 0.238 -4.820 4.396 1.00 0.00 C ATOM 721 O PHE A 44 0.560 -3.679 4.098 1.00 0.00 O ATOM 722 CB PHE A 44 -0.197 -5.560 6.727 1.00 0.00 C ATOM 723 CG PHE A 44 0.120 -7.029 6.744 1.00 0.00 C ATOM 724 CD1 PHE A 44 -0.843 -7.955 7.113 1.00 0.00 C ATOM 725 CD2 PHE A 44 1.382 -7.483 6.396 1.00 0.00 C ATOM 726 CE1 PHE A 44 -0.554 -9.305 7.133 1.00 0.00 C ATOM 727 CE2 PHE A 44 1.678 -8.833 6.416 1.00 0.00 C ATOM 728 CZ PHE A 44 0.707 -9.745 6.785 1.00 0.00 C ATOM 0 H PHE A 44 -2.081 -6.770 5.609 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.390 -4.148 5.621 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.723 -4.999 6.890 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.860 -5.333 7.562 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.831 -7.617 7.388 1.00 0.00 H new ATOM 0 HD2 PHE A 44 2.143 -6.774 6.106 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.314 -10.016 7.421 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.666 -9.175 6.144 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.935 -10.801 6.801 1.00 0.00 H new ATOM 738 N ARG A 45 0.801 -5.889 3.856 1.00 0.00 N ATOM 739 CA ARG A 45 1.853 -5.767 2.858 1.00 0.00 C ATOM 740 C ARG A 45 1.356 -5.027 1.618 1.00 0.00 C ATOM 741 O ARG A 45 2.023 -4.124 1.113 1.00 0.00 O ATOM 742 CB ARG A 45 2.367 -7.151 2.472 1.00 0.00 C ATOM 743 CG ARG A 45 3.865 -7.194 2.245 1.00 0.00 C ATOM 744 CD ARG A 45 4.250 -6.467 0.970 1.00 0.00 C ATOM 745 NE ARG A 45 5.590 -5.897 1.047 1.00 0.00 N ATOM 746 CZ ARG A 45 6.108 -5.095 0.121 1.00 0.00 C ATOM 747 NH1 ARG A 45 5.401 -4.765 -0.953 1.00 0.00 N ATOM 748 NH2 ARG A 45 7.335 -4.621 0.269 1.00 0.00 N ATOM 0 H ARG A 45 0.548 -6.849 4.091 1.00 0.00 H new ATOM 0 HA ARG A 45 2.668 -5.187 3.292 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.105 -7.860 3.258 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.860 -7.479 1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.377 -6.740 3.094 1.00 0.00 H new ATOM 0 HG3 ARG A 45 4.197 -8.231 2.190 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.198 -7.159 0.129 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.529 -5.673 0.774 1.00 0.00 H new ATOM 0 HE ARG A 45 6.164 -6.127 1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.455 -5.127 -1.072 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.804 -4.150 -1.660 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.882 -4.871 1.093 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.733 -4.006 -0.441 1.00 0.00 H new ATOM 762 N GLU A 46 0.182 -5.413 1.136 1.00 0.00 N ATOM 763 CA GLU A 46 -0.397 -4.782 -0.045 1.00 0.00 C ATOM 764 C GLU A 46 -0.833 -3.352 0.260 1.00 0.00 C ATOM 765 O GLU A 46 -0.382 -2.402 -0.385 1.00 0.00 O ATOM 766 CB GLU A 46 -1.586 -5.592 -0.565 1.00 0.00 C ATOM 767 CG GLU A 46 -1.641 -5.674 -2.083 1.00 0.00 C ATOM 768 CD GLU A 46 -3.033 -5.969 -2.610 1.00 0.00 C ATOM 769 OE1 GLU A 46 -4.004 -5.386 -2.083 1.00 0.00 O ATOM 770 OE2 GLU A 46 -3.151 -6.781 -3.552 1.00 0.00 O ATOM 0 H GLU A 46 -0.387 -6.156 1.542 1.00 0.00 H new ATOM 0 HA GLU A 46 0.371 -4.753 -0.817 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.536 -6.601 -0.155 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.510 -5.144 -0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.290 -4.732 -2.505 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.957 -6.451 -2.425 1.00 0.00 H new ATOM 777 N VAL A 47 -1.715 -3.205 1.244 1.00 0.00 N ATOM 778 CA VAL A 47 -2.211 -1.890 1.629 1.00 0.00 C ATOM 779 C VAL A 47 -1.057 -0.960 1.990 1.00 0.00 C ATOM 780 O VAL A 47 -1.139 0.251 1.786 1.00 0.00 O ATOM 781 CB VAL A 47 -3.201 -1.982 2.813 1.00 0.00 C ATOM 782 CG1 VAL A 47 -2.491 -2.394 4.095 1.00 0.00 C ATOM 783 CG2 VAL A 47 -3.938 -0.665 3.002 1.00 0.00 C ATOM 0 H VAL A 47 -2.099 -3.978 1.787 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.742 -1.480 0.770 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.934 -2.753 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.214 -2.450 4.909 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.025 -3.370 3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.725 -1.658 4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.629 -0.752 3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.219 0.128 3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.495 -0.426 2.096 1.00 0.00 H new ATOM 793 N ALA A 48 0.020 -1.533 2.523 1.00 0.00 N ATOM 794 CA ALA A 48 1.183 -0.747 2.904 1.00 0.00 C ATOM 795 C ALA A 48 1.809 -0.088 1.684 1.00 0.00 C ATOM 796 O ALA A 48 1.920 1.130 1.610 1.00 0.00 O ATOM 797 CB ALA A 48 2.218 -1.606 3.612 1.00 0.00 C ATOM 0 H ALA A 48 0.108 -2.534 2.699 1.00 0.00 H new ATOM 0 HA ALA A 48 0.846 0.027 3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.076 -0.991 3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.779 -2.037 4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.542 -2.407 2.948 1.00 0.00 H new ATOM 803 N ASP A 49 2.226 -0.911 0.732 1.00 0.00 N ATOM 804 CA ASP A 49 2.860 -0.418 -0.484 1.00 0.00 C ATOM 805 C ASP A 49 2.060 0.730 -1.099 1.00 0.00 C ATOM 806 O ASP A 49 2.553 1.850 -1.207 1.00 0.00 O ATOM 807 CB ASP A 49 2.999 -1.554 -1.499 1.00 0.00 C ATOM 808 CG ASP A 49 3.854 -1.169 -2.690 1.00 0.00 C ATOM 809 OD1 ASP A 49 3.418 -0.303 -3.477 1.00 0.00 O ATOM 810 OD2 ASP A 49 4.959 -1.732 -2.836 1.00 0.00 O ATOM 0 H ASP A 49 2.137 -1.926 0.778 1.00 0.00 H new ATOM 0 HA ASP A 49 3.849 -0.042 -0.220 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.436 -2.423 -1.008 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.009 -1.849 -1.847 1.00 0.00 H new ATOM 815 N ALA A 50 0.838 0.443 -1.526 1.00 0.00 N ATOM 816 CA ALA A 50 -0.010 1.454 -2.154 1.00 0.00 C ATOM 817 C ALA A 50 -0.022 2.787 -1.381 1.00 0.00 C ATOM 818 O ALA A 50 0.348 3.824 -1.932 1.00 0.00 O ATOM 819 CB ALA A 50 -1.413 0.904 -2.324 1.00 0.00 C ATOM 0 H ALA A 50 0.410 -0.480 -1.450 1.00 0.00 H new ATOM 0 HA ALA A 50 0.412 1.680 -3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.045 1.658 -2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.381 0.015 -2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.822 0.643 -1.348 1.00 0.00 H new ATOM 825 N LEU A 51 -0.466 2.767 -0.120 1.00 0.00 N ATOM 826 CA LEU A 51 -0.531 3.984 0.684 1.00 0.00 C ATOM 827 C LEU A 51 0.876 4.528 0.953 1.00 0.00 C ATOM 828 O LEU A 51 1.040 5.679 1.356 1.00 0.00 O ATOM 829 CB LEU A 51 -1.284 3.710 2.001 1.00 0.00 C ATOM 830 CG LEU A 51 -0.902 4.595 3.187 1.00 0.00 C ATOM 831 CD1 LEU A 51 -1.186 6.044 2.860 1.00 0.00 C ATOM 832 CD2 LEU A 51 -1.651 4.175 4.449 1.00 0.00 C ATOM 0 H LEU A 51 -0.783 1.925 0.361 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.080 4.744 0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.352 3.825 1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.119 2.670 2.281 1.00 0.00 H new ATOM 0 HG LEU A 51 0.165 4.476 3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.911 6.669 3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.604 6.341 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.248 6.168 2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.360 4.821 5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.724 4.262 4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.404 3.141 4.692 1.00 0.00 H new ATOM 844 N ASN A 52 1.890 3.701 0.708 1.00 0.00 N ATOM 845 CA ASN A 52 3.278 4.099 0.905 1.00 0.00 C ATOM 846 C ASN A 52 4.214 2.940 0.586 1.00 0.00 C ATOM 847 O ASN A 52 4.172 1.900 1.242 1.00 0.00 O ATOM 848 CB ASN A 52 3.512 4.579 2.339 1.00 0.00 C ATOM 849 CG ASN A 52 4.653 5.570 2.426 1.00 0.00 C ATOM 850 OD1 ASN A 52 5.668 5.313 3.073 1.00 0.00 O ATOM 851 ND2 ASN A 52 4.496 6.713 1.765 1.00 0.00 N ATOM 0 H ASN A 52 1.773 2.746 0.371 1.00 0.00 H new ATOM 0 HA ASN A 52 3.490 4.925 0.226 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.601 5.041 2.720 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.726 3.722 2.978 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.234 7.417 1.782 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.638 6.885 1.241 1.00 0.00 H new ATOM 858 N ARG A 53 5.049 3.121 -0.435 1.00 0.00 N ATOM 859 CA ARG A 53 5.989 2.082 -0.854 1.00 0.00 C ATOM 860 C ARG A 53 6.663 1.427 0.350 1.00 0.00 C ATOM 861 O ARG A 53 6.613 0.208 0.511 1.00 0.00 O ATOM 862 CB ARG A 53 7.044 2.668 -1.798 1.00 0.00 C ATOM 863 CG ARG A 53 7.322 1.797 -3.015 1.00 0.00 C ATOM 864 CD ARG A 53 6.053 1.534 -3.811 1.00 0.00 C ATOM 865 NE ARG A 53 6.334 0.909 -5.104 1.00 0.00 N ATOM 866 CZ ARG A 53 5.732 1.248 -6.244 1.00 0.00 C ATOM 867 NH1 ARG A 53 4.813 2.206 -6.266 1.00 0.00 N ATOM 868 NH2 ARG A 53 6.049 0.622 -7.371 1.00 0.00 N ATOM 0 H ARG A 53 5.094 3.977 -0.988 1.00 0.00 H new ATOM 0 HA ARG A 53 5.426 1.314 -1.384 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.714 3.651 -2.133 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.973 2.814 -1.246 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.059 2.285 -3.653 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.755 0.849 -2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.390 0.889 -3.234 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.524 2.474 -3.970 1.00 0.00 H new ATOM 0 HE ARG A 53 7.034 0.168 -5.135 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.561 2.691 -5.405 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.359 2.457 -7.144 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.752 -0.117 -7.364 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.589 0.880 -8.244 1.00 0.00 H new ATOM 882 N ASP A 54 7.279 2.243 1.198 1.00 0.00 N ATOM 883 CA ASP A 54 7.946 1.736 2.391 1.00 0.00 C ATOM 884 C ASP A 54 6.918 1.206 3.388 1.00 0.00 C ATOM 885 O ASP A 54 5.959 1.901 3.726 1.00 0.00 O ATOM 886 CB ASP A 54 8.787 2.837 3.040 1.00 0.00 C ATOM 887 CG ASP A 54 9.885 3.340 2.124 1.00 0.00 C ATOM 888 OD1 ASP A 54 9.574 4.110 1.191 1.00 0.00 O ATOM 889 OD2 ASP A 54 11.056 2.962 2.339 1.00 0.00 O ATOM 0 H ASP A 54 7.330 3.255 1.082 1.00 0.00 H new ATOM 0 HA ASP A 54 8.605 0.919 2.097 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.140 3.669 3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.231 2.457 3.960 1.00 0.00 H new ATOM 894 N PRO A 55 7.094 -0.036 3.874 1.00 0.00 N ATOM 895 CA PRO A 55 6.165 -0.644 4.831 1.00 0.00 C ATOM 896 C PRO A 55 6.280 -0.027 6.221 1.00 0.00 C ATOM 897 O PRO A 55 5.273 0.299 6.852 1.00 0.00 O ATOM 898 CB PRO A 55 6.593 -2.111 4.861 1.00 0.00 C ATOM 899 CG PRO A 55 8.033 -2.096 4.481 1.00 0.00 C ATOM 900 CD PRO A 55 8.205 -0.943 3.528 1.00 0.00 C ATOM 0 HA PRO A 55 5.125 -0.496 4.539 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.450 -2.545 5.851 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.006 -2.708 4.163 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.666 -1.972 5.360 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.321 -3.036 4.010 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.173 -0.458 3.656 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.147 -1.269 2.490 1.00 0.00 H new ATOM 908 N GLN A 56 7.514 0.135 6.689 1.00 0.00 N ATOM 909 CA GLN A 56 7.765 0.718 8.004 1.00 0.00 C ATOM 910 C GLN A 56 7.092 2.081 8.142 1.00 0.00 C ATOM 911 O GLN A 56 6.801 2.530 9.248 1.00 0.00 O ATOM 912 CB GLN A 56 9.270 0.858 8.244 1.00 0.00 C ATOM 913 CG GLN A 56 9.780 0.026 9.408 1.00 0.00 C ATOM 914 CD GLN A 56 11.124 0.504 9.919 1.00 0.00 C ATOM 915 OE1 GLN A 56 11.300 1.683 10.228 1.00 0.00 O ATOM 916 NE2 GLN A 56 12.081 -0.410 10.009 1.00 0.00 N ATOM 0 H GLN A 56 8.356 -0.129 6.178 1.00 0.00 H new ATOM 0 HA GLN A 56 7.341 0.048 8.752 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.803 0.566 7.339 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.504 1.907 8.428 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.054 0.060 10.220 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.863 -1.015 9.097 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.891 -1.376 9.742 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.007 -0.147 10.345 1.00 0.00 H new ATOM 925 N HIS A 57 6.838 2.728 7.010 1.00 0.00 N ATOM 926 CA HIS A 57 6.190 4.033 7.019 1.00 0.00 C ATOM 927 C HIS A 57 4.734 3.893 7.442 1.00 0.00 C ATOM 928 O HIS A 57 4.315 4.446 8.458 1.00 0.00 O ATOM 929 CB HIS A 57 6.285 4.688 5.639 1.00 0.00 C ATOM 930 CG HIS A 57 6.699 6.128 5.688 1.00 0.00 C ATOM 931 ND1 HIS A 57 5.805 7.165 5.852 1.00 0.00 N ATOM 932 CD2 HIS A 57 7.924 6.702 5.598 1.00 0.00 C ATOM 933 CE1 HIS A 57 6.458 8.314 5.862 1.00 0.00 C ATOM 934 NE2 HIS A 57 7.744 8.060 5.710 1.00 0.00 N ATOM 0 H HIS A 57 7.069 2.373 6.082 1.00 0.00 H new ATOM 0 HA HIS A 57 6.703 4.672 7.738 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.999 4.133 5.031 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.318 4.613 5.143 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.865 6.189 5.464 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.015 9.293 5.975 1.00 0.00 H new ATOM 0 HE2 HIS A 57 8.486 8.760 5.680 1.00 0.00 H new ATOM 942 N LEU A 58 3.973 3.141 6.656 1.00 0.00 N ATOM 943 CA LEU A 58 2.561 2.910 6.941 1.00 0.00 C ATOM 944 C LEU A 58 2.340 2.568 8.413 1.00 0.00 C ATOM 945 O LEU A 58 1.409 3.069 9.043 1.00 0.00 O ATOM 946 CB LEU A 58 2.032 1.775 6.061 1.00 0.00 C ATOM 947 CG LEU A 58 0.704 2.067 5.367 1.00 0.00 C ATOM 948 CD1 LEU A 58 0.910 2.221 3.868 1.00 0.00 C ATOM 949 CD2 LEU A 58 -0.310 0.968 5.661 1.00 0.00 C ATOM 0 H LEU A 58 4.312 2.679 5.812 1.00 0.00 H new ATOM 0 HA LEU A 58 2.017 3.829 6.721 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.779 1.545 5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.916 0.882 6.675 1.00 0.00 H new ATOM 0 HG LEU A 58 0.311 3.005 5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.047 2.429 3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.598 3.045 3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.327 1.300 3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.249 1.195 5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.073 0.013 5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.480 0.908 6.736 1.00 0.00 H new ATOM 961 N LEU A 59 3.198 1.706 8.953 1.00 0.00 N ATOM 962 CA LEU A 59 3.085 1.292 10.350 1.00 0.00 C ATOM 963 C LEU A 59 3.159 2.494 11.282 1.00 0.00 C ATOM 964 O LEU A 59 2.250 2.733 12.078 1.00 0.00 O ATOM 965 CB LEU A 59 4.177 0.283 10.708 1.00 0.00 C ATOM 966 CG LEU A 59 4.012 -0.373 12.084 1.00 0.00 C ATOM 967 CD1 LEU A 59 4.185 -1.881 11.988 1.00 0.00 C ATOM 968 CD2 LEU A 59 5.000 0.214 13.081 1.00 0.00 C ATOM 0 H LEU A 59 3.976 1.282 8.448 1.00 0.00 H new ATOM 0 HA LEU A 59 2.113 0.814 10.477 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.196 -0.498 9.948 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.144 0.785 10.673 1.00 0.00 H new ATOM 0 HG LEU A 59 3.002 -0.167 12.438 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.064 -2.325 12.976 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.435 -2.291 11.312 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.180 -2.110 11.607 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.866 -0.265 14.051 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.017 0.043 12.729 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.825 1.285 13.178 1.00 0.00 H new ATOM 980 N LYS A 60 4.243 3.253 11.176 1.00 0.00 N ATOM 981 CA LYS A 60 4.430 4.436 12.008 1.00 0.00 C ATOM 982 C LYS A 60 3.259 5.394 11.841 1.00 0.00 C ATOM 983 O LYS A 60 2.924 6.147 12.753 1.00 0.00 O ATOM 984 CB LYS A 60 5.733 5.152 11.647 1.00 0.00 C ATOM 985 CG LYS A 60 6.931 4.227 11.523 1.00 0.00 C ATOM 986 CD LYS A 60 7.677 4.107 12.838 1.00 0.00 C ATOM 987 CE LYS A 60 7.191 2.910 13.638 1.00 0.00 C ATOM 988 NZ LYS A 60 8.107 2.588 14.767 1.00 0.00 N ATOM 0 H LYS A 60 5.005 3.071 10.523 1.00 0.00 H new ATOM 0 HA LYS A 60 4.482 4.111 13.047 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.596 5.681 10.704 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.945 5.905 12.407 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.599 3.240 11.200 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.605 4.604 10.754 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.745 4.010 12.645 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.540 5.018 13.421 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.193 3.114 14.027 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.106 2.044 12.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.740 1.766 15.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.053 2.368 14.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.168 3.405 15.408 1.00 0.00 H new ATOM 1002 N PHE A 61 2.648 5.366 10.662 1.00 0.00 N ATOM 1003 CA PHE A 61 1.521 6.236 10.366 1.00 0.00 C ATOM 1004 C PHE A 61 0.291 5.853 11.183 1.00 0.00 C ATOM 1005 O PHE A 61 -0.363 6.712 11.778 1.00 0.00 O ATOM 1006 CB PHE A 61 1.205 6.194 8.870 1.00 0.00 C ATOM 1007 CG PHE A 61 1.397 7.521 8.199 1.00 0.00 C ATOM 1008 CD1 PHE A 61 0.603 8.603 8.541 1.00 0.00 C ATOM 1009 CD2 PHE A 61 2.384 7.693 7.242 1.00 0.00 C ATOM 1010 CE1 PHE A 61 0.785 9.832 7.937 1.00 0.00 C ATOM 1011 CE2 PHE A 61 2.573 8.920 6.636 1.00 0.00 C ATOM 1012 CZ PHE A 61 1.772 9.992 6.984 1.00 0.00 C ATOM 0 H PHE A 61 2.916 4.748 9.896 1.00 0.00 H new ATOM 0 HA PHE A 61 1.797 7.253 10.643 1.00 0.00 H new ATOM 0 HB2 PHE A 61 1.843 5.453 8.389 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.175 5.867 8.730 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.167 8.485 9.289 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.012 6.859 6.967 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.156 10.667 8.210 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.346 9.042 5.891 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.918 10.952 6.512 1.00 0.00 H new ATOM 1022 N LEU A 62 -0.026 4.562 11.212 1.00 0.00 N ATOM 1023 CA LEU A 62 -1.181 4.090 11.961 1.00 0.00 C ATOM 1024 C LEU A 62 -1.067 4.475 13.434 1.00 0.00 C ATOM 1025 O LEU A 62 -1.972 5.092 13.989 1.00 0.00 O ATOM 1026 CB LEU A 62 -1.333 2.573 11.828 1.00 0.00 C ATOM 1027 CG LEU A 62 -1.241 2.029 10.398 1.00 0.00 C ATOM 1028 CD1 LEU A 62 -0.262 0.865 10.326 1.00 0.00 C ATOM 1029 CD2 LEU A 62 -2.614 1.603 9.897 1.00 0.00 C ATOM 0 H LEU A 62 0.497 3.831 10.729 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.067 4.568 11.543 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.563 2.093 12.432 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.296 2.282 12.249 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.872 2.827 9.754 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.212 0.494 9.302 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.727 1.201 10.639 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.599 0.065 10.986 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.528 1.220 8.880 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.012 0.823 10.546 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.287 2.461 9.905 1.00 0.00 H new ATOM 1041 N LEU A 63 0.056 4.136 14.063 1.00 0.00 N ATOM 1042 CA LEU A 63 0.267 4.470 15.468 1.00 0.00 C ATOM 1043 C LEU A 63 0.345 5.984 15.667 1.00 0.00 C ATOM 1044 O LEU A 63 0.026 6.495 16.739 1.00 0.00 O ATOM 1045 CB LEU A 63 1.543 3.808 15.986 1.00 0.00 C ATOM 1046 CG LEU A 63 1.744 2.356 15.538 1.00 0.00 C ATOM 1047 CD1 LEU A 63 3.068 2.202 14.803 1.00 0.00 C ATOM 1048 CD2 LEU A 63 1.679 1.408 16.730 1.00 0.00 C ATOM 0 H LEU A 63 0.828 3.634 13.625 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.584 4.093 16.035 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.400 4.396 15.657 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.535 3.839 17.076 1.00 0.00 H new ATOM 0 HG LEU A 63 0.937 2.096 14.853 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.193 1.165 14.493 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.073 2.847 13.924 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.887 2.484 15.465 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.824 0.383 16.388 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.461 1.667 17.444 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.705 1.495 17.212 1.00 0.00 H new ATOM 1060 N ARG A 64 0.774 6.694 14.626 1.00 0.00 N ATOM 1061 CA ARG A 64 0.895 8.149 14.693 1.00 0.00 C ATOM 1062 C ARG A 64 -0.459 8.796 14.972 1.00 0.00 C ATOM 1063 O ARG A 64 -0.550 9.765 15.727 1.00 0.00 O ATOM 1064 CB ARG A 64 1.484 8.700 13.390 1.00 0.00 C ATOM 1065 CG ARG A 64 1.697 10.206 13.403 1.00 0.00 C ATOM 1066 CD ARG A 64 1.787 10.769 11.991 1.00 0.00 C ATOM 1067 NE ARG A 64 2.887 11.719 11.841 1.00 0.00 N ATOM 1068 CZ ARG A 64 3.168 12.355 10.704 1.00 0.00 C ATOM 1069 NH1 ARG A 64 2.420 12.160 9.625 1.00 0.00 N ATOM 1070 NH2 ARG A 64 4.193 13.193 10.647 1.00 0.00 N ATOM 0 H ARG A 64 1.043 6.288 13.730 1.00 0.00 H new ATOM 0 HA ARG A 64 1.569 8.393 15.514 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.438 8.209 13.197 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.820 8.443 12.565 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.876 10.686 13.936 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.611 10.441 13.948 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.918 9.950 11.284 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.848 11.261 11.738 1.00 0.00 H new ATOM 0 HE ARG A 64 3.474 11.906 12.654 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.626 11.521 9.664 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.639 12.649 8.757 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.768 13.352 11.474 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.407 13.679 9.776 1.00 0.00 H new ATOM 1084 N GLU A 65 -1.511 8.258 14.360 1.00 0.00 N ATOM 1085 CA GLU A 65 -2.859 8.791 14.551 1.00 0.00 C ATOM 1086 C GLU A 65 -3.678 7.920 15.507 1.00 0.00 C ATOM 1087 O GLU A 65 -4.660 8.379 16.089 1.00 0.00 O ATOM 1088 CB GLU A 65 -3.578 8.914 13.206 1.00 0.00 C ATOM 1089 CG GLU A 65 -2.916 9.896 12.253 1.00 0.00 C ATOM 1090 CD GLU A 65 -3.525 11.283 12.317 1.00 0.00 C ATOM 1091 OE1 GLU A 65 -3.176 12.042 13.245 1.00 0.00 O ATOM 1092 OE2 GLU A 65 -4.348 11.611 11.436 1.00 0.00 O ATOM 0 H GLU A 65 -1.458 7.457 13.730 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.763 9.781 14.998 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.619 7.933 12.734 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.607 9.227 13.380 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.853 9.960 12.486 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.996 9.516 11.234 1.00 0.00 H new ATOM 1099 N LEU A 66 -3.266 6.663 15.667 1.00 0.00 N ATOM 1100 CA LEU A 66 -3.955 5.728 16.557 1.00 0.00 C ATOM 1101 C LEU A 66 -4.073 6.307 17.968 1.00 0.00 C ATOM 1102 O LEU A 66 -3.073 6.458 18.670 1.00 0.00 O ATOM 1103 CB LEU A 66 -3.188 4.403 16.607 1.00 0.00 C ATOM 1104 CG LEU A 66 -3.770 3.243 15.786 1.00 0.00 C ATOM 1105 CD1 LEU A 66 -4.103 3.683 14.367 1.00 0.00 C ATOM 1106 CD2 LEU A 66 -2.792 2.075 15.761 1.00 0.00 C ATOM 0 H LEU A 66 -2.456 6.267 15.190 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.959 5.557 16.168 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.169 4.585 16.265 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.123 4.085 17.648 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.696 2.922 16.264 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.513 2.840 13.811 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.837 4.488 14.399 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.198 4.037 13.874 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.215 1.258 15.176 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.853 2.396 15.310 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.607 1.734 16.779 1.00 0.00 H new ATOM 1118 N GLY A 67 -5.297 6.632 18.376 1.00 0.00 N ATOM 1119 CA GLY A 67 -5.516 7.195 19.701 1.00 0.00 C ATOM 1120 C GLY A 67 -5.553 6.146 20.798 1.00 0.00 C ATOM 1121 O GLY A 67 -5.379 6.463 21.975 1.00 0.00 O ATOM 0 H GLY A 67 -6.141 6.516 17.815 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.725 7.912 19.919 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.456 7.747 19.703 1.00 0.00 H new ATOM 1125 N THR A 68 -5.775 4.897 20.415 1.00 0.00 N ATOM 1126 CA THR A 68 -5.829 3.797 21.371 1.00 0.00 C ATOM 1127 C THR A 68 -4.518 3.017 21.363 1.00 0.00 C ATOM 1128 O THR A 68 -3.662 3.236 20.507 1.00 0.00 O ATOM 1129 CB THR A 68 -7.009 2.857 21.086 1.00 0.00 C ATOM 1130 OG1 THR A 68 -6.665 1.872 20.130 1.00 0.00 O ATOM 1131 CG2 THR A 68 -8.247 3.564 20.581 1.00 0.00 C ATOM 0 H THR A 68 -5.921 4.618 19.445 1.00 0.00 H new ATOM 0 HA THR A 68 -5.978 4.229 22.361 1.00 0.00 H new ATOM 0 HB THR A 68 -7.236 2.407 22.053 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.914 2.191 19.587 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.036 2.833 20.403 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.583 4.286 21.325 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.016 4.083 19.651 1.00 0.00 H new ATOM 1139 N ALA A 69 -4.376 2.116 22.333 1.00 0.00 N ATOM 1140 CA ALA A 69 -3.177 1.279 22.478 1.00 0.00 C ATOM 1141 C ALA A 69 -2.476 1.024 21.139 1.00 0.00 C ATOM 1142 O ALA A 69 -1.348 1.470 20.926 1.00 0.00 O ATOM 1143 CB ALA A 69 -3.542 -0.045 23.136 1.00 0.00 C ATOM 0 H ALA A 69 -5.087 1.942 23.043 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.477 1.825 23.110 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.647 -0.659 23.239 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.968 0.144 24.121 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.272 -0.569 22.519 1.00 0.00 H new ATOM 1149 N GLY A 70 -3.148 0.305 20.245 1.00 0.00 N ATOM 1150 CA GLY A 70 -2.569 0.006 18.945 1.00 0.00 C ATOM 1151 C GLY A 70 -1.703 -1.239 18.965 1.00 0.00 C ATOM 1152 O GLY A 70 -0.576 -1.213 19.458 1.00 0.00 O ATOM 0 H GLY A 70 -4.082 -0.076 20.396 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.369 -0.124 18.216 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.971 0.855 18.614 1.00 0.00 H new ATOM 1156 N ASN A 71 -2.231 -2.333 18.423 1.00 0.00 N ATOM 1157 CA ASN A 71 -1.496 -3.595 18.380 1.00 0.00 C ATOM 1158 C ASN A 71 -2.123 -4.567 17.384 1.00 0.00 C ATOM 1159 O ASN A 71 -3.255 -4.376 16.941 1.00 0.00 O ATOM 1160 CB ASN A 71 -1.453 -4.229 19.772 1.00 0.00 C ATOM 1161 CG ASN A 71 -0.056 -4.680 20.161 1.00 0.00 C ATOM 1162 OD1 ASN A 71 0.559 -5.494 19.471 1.00 0.00 O ATOM 1163 ND2 ASN A 71 0.449 -4.154 21.270 1.00 0.00 N ATOM 0 H ASN A 71 -3.162 -2.372 18.008 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.479 -3.380 18.051 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.817 -3.511 20.507 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.129 -5.084 19.800 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.383 -4.421 21.582 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.097 -3.483 21.811 1.00 0.00 H new ATOM 1170 N LEU A 72 -1.379 -5.613 17.041 1.00 0.00 N ATOM 1171 CA LEU A 72 -1.860 -6.621 16.101 1.00 0.00 C ATOM 1172 C LEU A 72 -2.715 -7.664 16.814 1.00 0.00 C ATOM 1173 O LEU A 72 -2.206 -8.472 17.592 1.00 0.00 O ATOM 1174 CB LEU A 72 -0.680 -7.304 15.400 1.00 0.00 C ATOM 1175 CG LEU A 72 0.173 -6.389 14.517 1.00 0.00 C ATOM 1176 CD1 LEU A 72 0.930 -5.383 15.370 1.00 0.00 C ATOM 1177 CD2 LEU A 72 1.138 -7.211 13.674 1.00 0.00 C ATOM 0 H LEU A 72 -0.440 -5.786 17.400 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.475 -6.120 15.354 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.038 -7.752 16.158 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.065 -8.119 14.786 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.488 -5.841 13.845 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.531 -4.740 14.727 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.220 -4.774 15.930 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.582 -5.913 16.065 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.736 -6.545 13.052 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.795 -7.785 14.328 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.575 -7.893 13.037 1.00 0.00 H new ATOM 1189 N GLU A 73 -4.015 -7.653 16.531 1.00 0.00 N ATOM 1190 CA GLU A 73 -4.937 -8.610 17.131 1.00 0.00 C ATOM 1191 C GLU A 73 -5.324 -9.678 16.113 1.00 0.00 C ATOM 1192 O GLU A 73 -5.236 -9.453 14.905 1.00 0.00 O ATOM 1193 CB GLU A 73 -6.189 -7.897 17.653 1.00 0.00 C ATOM 1194 CG GLU A 73 -7.055 -8.766 18.548 1.00 0.00 C ATOM 1195 CD GLU A 73 -8.313 -9.248 17.851 1.00 0.00 C ATOM 1196 OE1 GLU A 73 -8.934 -8.443 17.124 1.00 0.00 O ATOM 1197 OE2 GLU A 73 -8.676 -10.429 18.031 1.00 0.00 O ATOM 0 H GLU A 73 -4.453 -6.991 15.890 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.437 -9.090 17.972 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.886 -7.008 18.207 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.784 -7.557 16.805 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.476 -9.627 18.882 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.331 -8.202 19.439 1.00 0.00 H new ATOM 1204 N GLY A 74 -5.751 -10.837 16.603 1.00 0.00 N ATOM 1205 CA GLY A 74 -6.144 -11.917 15.716 1.00 0.00 C ATOM 1206 C GLY A 74 -5.025 -12.336 14.782 1.00 0.00 C ATOM 1207 O GLY A 74 -3.978 -11.690 14.729 1.00 0.00 O ATOM 0 H GLY A 74 -5.832 -11.048 17.598 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.458 -12.775 16.310 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.007 -11.604 15.128 1.00 0.00 H new ATOM 1211 N GLY A 75 -5.246 -13.417 14.040 1.00 0.00 N ATOM 1212 CA GLY A 75 -4.240 -13.898 13.110 1.00 0.00 C ATOM 1213 C GLY A 75 -3.782 -12.822 12.145 1.00 0.00 C ATOM 1214 O GLY A 75 -2.660 -12.863 11.641 1.00 0.00 O ATOM 0 H GLY A 75 -6.104 -13.968 14.066 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.381 -14.270 13.669 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.643 -14.740 12.547 1.00 0.00 H new ATOM 1218 N ARG A 76 -4.655 -11.854 11.891 1.00 0.00 N ATOM 1219 CA ARG A 76 -4.344 -10.756 10.986 1.00 0.00 C ATOM 1220 C ARG A 76 -3.799 -9.559 11.763 1.00 0.00 C ATOM 1221 O ARG A 76 -3.389 -9.696 12.915 1.00 0.00 O ATOM 1222 CB ARG A 76 -5.598 -10.361 10.208 1.00 0.00 C ATOM 1223 CG ARG A 76 -5.319 -9.959 8.773 1.00 0.00 C ATOM 1224 CD ARG A 76 -5.979 -10.905 7.780 1.00 0.00 C ATOM 1225 NE ARG A 76 -5.453 -12.263 7.884 1.00 0.00 N ATOM 1226 CZ ARG A 76 -4.417 -12.720 7.182 1.00 0.00 C ATOM 1227 NH1 ARG A 76 -3.766 -11.922 6.341 1.00 0.00 N ATOM 1228 NH2 ARG A 76 -4.024 -13.978 7.326 1.00 0.00 N ATOM 0 H ARG A 76 -5.588 -11.808 12.302 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.577 -11.082 10.283 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.297 -11.197 10.213 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.088 -9.533 10.720 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.680 -8.945 8.603 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.243 -9.947 8.602 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.055 -10.919 7.953 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.824 -10.533 6.767 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.908 -12.903 8.536 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.059 -10.951 6.229 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.974 -12.281 5.808 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.515 -14.595 7.974 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.231 -14.329 6.789 1.00 0.00 H new ATOM 1242 N ALA A 77 -3.794 -8.385 11.134 1.00 0.00 N ATOM 1243 CA ALA A 77 -3.295 -7.178 11.785 1.00 0.00 C ATOM 1244 C ALA A 77 -4.442 -6.252 12.185 1.00 0.00 C ATOM 1245 O ALA A 77 -4.690 -5.234 11.536 1.00 0.00 O ATOM 1246 CB ALA A 77 -2.311 -6.454 10.873 1.00 0.00 C ATOM 0 H ALA A 77 -4.128 -8.245 10.180 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.774 -7.474 12.696 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.947 -5.556 11.371 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.471 -7.111 10.650 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.811 -6.177 9.945 1.00 0.00 H new ATOM 1252 N ILE A 78 -5.138 -6.609 13.263 1.00 0.00 N ATOM 1253 CA ILE A 78 -6.255 -5.805 13.752 1.00 0.00 C ATOM 1254 C ILE A 78 -5.778 -4.773 14.776 1.00 0.00 C ATOM 1255 O ILE A 78 -5.641 -5.083 15.960 1.00 0.00 O ATOM 1256 CB ILE A 78 -7.341 -6.687 14.406 1.00 0.00 C ATOM 1257 CG1 ILE A 78 -7.577 -7.959 13.586 1.00 0.00 C ATOM 1258 CG2 ILE A 78 -8.637 -5.905 14.567 1.00 0.00 C ATOM 1259 CD1 ILE A 78 -7.994 -7.687 12.161 1.00 0.00 C ATOM 0 H ILE A 78 -4.948 -7.447 13.813 1.00 0.00 H new ATOM 0 HA ILE A 78 -6.681 -5.295 12.888 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.991 -6.982 15.395 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.664 -8.554 13.582 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.346 -8.559 14.073 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.391 -6.542 15.029 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.461 -5.034 15.199 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.989 -5.578 13.588 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.144 -8.632 11.639 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.924 -7.118 12.156 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.216 -7.114 11.657 1.00 0.00 H new ATOM 1271 N LEU A 79 -5.520 -3.548 14.315 1.00 0.00 N ATOM 1272 CA LEU A 79 -5.055 -2.477 15.199 1.00 0.00 C ATOM 1273 C LEU A 79 -6.226 -1.660 15.728 1.00 0.00 C ATOM 1274 O LEU A 79 -7.373 -1.870 15.329 1.00 0.00 O ATOM 1275 CB LEU A 79 -4.070 -1.560 14.471 1.00 0.00 C ATOM 1276 CG LEU A 79 -4.670 -0.752 13.327 1.00 0.00 C ATOM 1277 CD1 LEU A 79 -5.249 0.557 13.843 1.00 0.00 C ATOM 1278 CD2 LEU A 79 -3.623 -0.495 12.253 1.00 0.00 C ATOM 0 H LEU A 79 -5.625 -3.273 13.338 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.545 -2.943 16.042 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.636 -0.870 15.195 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.254 -2.166 14.079 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.481 -1.329 12.883 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.673 1.120 13.012 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.030 0.346 14.574 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.460 1.143 14.314 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.067 0.083 11.443 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.790 0.062 12.682 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.260 -1.446 11.863 1.00 0.00 H new ATOM 1290 N GLN A 80 -5.936 -0.738 16.641 1.00 0.00 N ATOM 1291 CA GLN A 80 -6.975 0.090 17.235 1.00 0.00 C ATOM 1292 C GLN A 80 -6.494 1.520 17.475 1.00 0.00 C ATOM 1293 O GLN A 80 -5.427 1.734 18.051 1.00 0.00 O ATOM 1294 CB GLN A 80 -7.416 -0.536 18.559 1.00 0.00 C ATOM 1295 CG GLN A 80 -8.827 -1.081 18.536 1.00 0.00 C ATOM 1296 CD GLN A 80 -9.554 -0.862 19.848 1.00 0.00 C ATOM 1297 OE1 GLN A 80 -9.539 0.238 20.402 1.00 0.00 O ATOM 1298 NE2 GLN A 80 -10.196 -1.909 20.354 1.00 0.00 N ATOM 0 H GLN A 80 -4.994 -0.547 16.983 1.00 0.00 H new ATOM 0 HA GLN A 80 -7.813 0.138 16.540 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.729 -1.342 18.816 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.338 0.212 19.348 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -9.385 -0.603 17.731 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.798 -2.148 18.314 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.182 -2.802 19.862 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -10.703 -1.820 21.235 1.00 0.00 H new ATOM 1307 N GLY A 81 -7.299 2.498 17.049 1.00 0.00 N ATOM 1308 CA GLY A 81 -6.945 3.896 17.253 1.00 0.00 C ATOM 1309 C GLY A 81 -7.654 4.848 16.307 1.00 0.00 C ATOM 1310 O GLY A 81 -8.570 5.564 16.708 1.00 0.00 O ATOM 0 H GLY A 81 -8.186 2.346 16.568 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.181 4.175 18.280 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.868 4.011 17.131 1.00 0.00 H new ATOM 1314 N LYS A 82 -7.223 4.858 15.052 1.00 0.00 N ATOM 1315 CA LYS A 82 -7.810 5.728 14.039 1.00 0.00 C ATOM 1316 C LYS A 82 -7.615 5.116 12.643 1.00 0.00 C ATOM 1317 O LYS A 82 -7.840 3.918 12.458 1.00 0.00 O ATOM 1318 CB LYS A 82 -7.191 7.135 14.135 1.00 0.00 C ATOM 1319 CG LYS A 82 -7.891 8.045 15.136 1.00 0.00 C ATOM 1320 CD LYS A 82 -8.538 9.242 14.452 1.00 0.00 C ATOM 1321 CE LYS A 82 -9.705 9.786 15.262 1.00 0.00 C ATOM 1322 NZ LYS A 82 -9.632 11.264 15.422 1.00 0.00 N ATOM 0 H LYS A 82 -6.464 4.269 14.709 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.882 5.821 14.214 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.141 7.042 14.414 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.219 7.603 13.151 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.651 7.478 15.673 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.171 8.394 15.876 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.795 10.027 14.311 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.886 8.951 13.461 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.642 9.520 14.772 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.715 9.315 16.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.446 11.593 15.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -8.751 11.517 15.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.649 11.716 14.485 1.00 0.00 H new ATOM 1336 N PHE A 83 -7.200 5.922 11.663 1.00 0.00 N ATOM 1337 CA PHE A 83 -6.987 5.431 10.308 1.00 0.00 C ATOM 1338 C PHE A 83 -8.237 4.743 9.775 1.00 0.00 C ATOM 1339 O PHE A 83 -8.167 3.666 9.182 1.00 0.00 O ATOM 1340 CB PHE A 83 -5.787 4.487 10.269 1.00 0.00 C ATOM 1341 CG PHE A 83 -4.529 5.179 9.844 1.00 0.00 C ATOM 1342 CD1 PHE A 83 -4.059 6.278 10.541 1.00 0.00 C ATOM 1343 CD2 PHE A 83 -3.829 4.743 8.735 1.00 0.00 C ATOM 1344 CE1 PHE A 83 -2.910 6.928 10.141 1.00 0.00 C ATOM 1345 CE2 PHE A 83 -2.682 5.390 8.325 1.00 0.00 C ATOM 1346 CZ PHE A 83 -2.221 6.484 9.030 1.00 0.00 C ATOM 0 H PHE A 83 -7.006 6.916 11.787 1.00 0.00 H new ATOM 0 HA PHE A 83 -6.776 6.284 9.663 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.641 4.048 11.256 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -5.996 3.666 9.583 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -4.598 6.631 11.408 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.184 3.886 8.183 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.550 7.782 10.696 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.146 5.042 7.455 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.322 6.992 8.713 1.00 0.00 H new ATOM 1356 N THR A 84 -9.382 5.384 9.983 1.00 0.00 N ATOM 1357 CA THR A 84 -10.654 4.850 9.520 1.00 0.00 C ATOM 1358 C THR A 84 -10.754 4.975 8.003 1.00 0.00 C ATOM 1359 O THR A 84 -11.594 5.706 7.478 1.00 0.00 O ATOM 1360 CB THR A 84 -11.808 5.593 10.196 1.00 0.00 C ATOM 1361 OG1 THR A 84 -11.535 6.983 10.270 1.00 0.00 O ATOM 1362 CG2 THR A 84 -12.083 5.111 11.602 1.00 0.00 C ATOM 0 H THR A 84 -9.453 6.277 10.471 1.00 0.00 H new ATOM 0 HA THR A 84 -10.715 3.794 9.785 1.00 0.00 H new ATOM 0 HB THR A 84 -12.683 5.392 9.578 1.00 0.00 H new ATOM 0 HG1 THR A 84 -11.258 7.309 9.388 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.912 5.678 12.025 1.00 0.00 H new ATOM 0 HG22 THR A 84 -12.341 4.052 11.580 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.194 5.255 12.216 1.00 0.00 H new ATOM 1370 N HIS A 85 -9.871 4.263 7.311 1.00 0.00 N ATOM 1371 CA HIS A 85 -9.821 4.289 5.854 1.00 0.00 C ATOM 1372 C HIS A 85 -9.763 5.727 5.345 1.00 0.00 C ATOM 1373 O HIS A 85 -10.335 6.054 4.306 1.00 0.00 O ATOM 1374 CB HIS A 85 -11.048 3.578 5.277 1.00 0.00 C ATOM 1375 CG HIS A 85 -10.743 2.654 4.138 1.00 0.00 C ATOM 1376 ND1 HIS A 85 -9.617 1.862 4.090 1.00 0.00 N ATOM 1377 CD2 HIS A 85 -11.429 2.395 2.997 1.00 0.00 C ATOM 1378 CE1 HIS A 85 -9.621 1.158 2.973 1.00 0.00 C ATOM 1379 NE2 HIS A 85 -10.710 1.462 2.291 1.00 0.00 N ATOM 0 H HIS A 85 -9.174 3.655 7.741 1.00 0.00 H new ATOM 0 HA HIS A 85 -8.920 3.770 5.528 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -11.532 3.010 6.072 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -11.764 4.328 4.940 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -8.892 1.825 4.807 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -12.367 2.840 2.699 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -8.862 0.453 2.669 1.00 0.00 H new ATOM 1387 N PHE A 86 -9.040 6.573 6.075 1.00 0.00 N ATOM 1388 CA PHE A 86 -8.871 7.970 5.692 1.00 0.00 C ATOM 1389 C PHE A 86 -7.615 8.137 4.848 1.00 0.00 C ATOM 1390 O PHE A 86 -7.688 8.320 3.634 1.00 0.00 O ATOM 1391 CB PHE A 86 -8.810 8.873 6.926 1.00 0.00 C ATOM 1392 CG PHE A 86 -10.128 9.508 7.262 1.00 0.00 C ATOM 1393 CD1 PHE A 86 -10.882 10.132 6.282 1.00 0.00 C ATOM 1394 CD2 PHE A 86 -10.612 9.479 8.559 1.00 0.00 C ATOM 1395 CE1 PHE A 86 -12.095 10.718 6.590 1.00 0.00 C ATOM 1396 CE2 PHE A 86 -11.825 10.062 8.872 1.00 0.00 C ATOM 1397 CZ PHE A 86 -12.567 10.683 7.888 1.00 0.00 C ATOM 0 H PHE A 86 -8.561 6.313 6.937 1.00 0.00 H new ATOM 0 HA PHE A 86 -9.735 8.268 5.098 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -8.468 8.288 7.780 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.070 9.655 6.759 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -10.518 10.161 5.266 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -10.035 8.996 9.334 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.673 11.203 5.817 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -12.193 10.032 9.887 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.514 11.141 8.132 1.00 0.00 H new ATOM 1407 N LEU A 87 -6.459 8.059 5.504 1.00 0.00 N ATOM 1408 CA LEU A 87 -5.179 8.189 4.820 1.00 0.00 C ATOM 1409 C LEU A 87 -4.942 7.001 3.897 1.00 0.00 C ATOM 1410 O LEU A 87 -4.530 7.163 2.749 1.00 0.00 O ATOM 1411 CB LEU A 87 -4.032 8.285 5.834 1.00 0.00 C ATOM 1412 CG LEU A 87 -3.673 9.696 6.305 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -3.321 10.589 5.125 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -4.814 10.295 7.111 1.00 0.00 C ATOM 0 H LEU A 87 -6.385 7.906 6.510 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.207 9.103 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.294 7.687 6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.144 7.833 5.393 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.796 9.627 6.949 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.070 11.586 5.486 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.467 10.169 4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.174 10.652 4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.541 11.298 7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.709 10.346 6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.011 9.671 7.983 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.190 5.803 4.413 1.00 0.00 N ATOM 1427 CA ILE A 88 -4.987 4.588 3.635 1.00 0.00 C ATOM 1428 C ILE A 88 -5.806 4.613 2.344 1.00 0.00 C ATOM 1429 O ILE A 88 -5.251 4.592 1.246 1.00 0.00 O ATOM 1430 CB ILE A 88 -5.363 3.336 4.464 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -4.757 3.422 5.876 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -4.909 2.070 3.754 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -4.839 2.132 6.674 1.00 0.00 C ATOM 0 H ILE A 88 -5.530 5.648 5.362 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.929 4.540 3.375 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.448 3.299 4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.711 3.717 5.792 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.267 4.210 6.430 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.182 1.200 4.351 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.392 2.007 2.779 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.827 2.095 3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.389 2.282 7.655 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.883 1.844 6.794 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.303 1.343 6.146 1.00 0.00 H new ATOM 1445 N ASN A 89 -7.124 4.647 2.484 1.00 0.00 N ATOM 1446 CA ASN A 89 -8.023 4.657 1.330 1.00 0.00 C ATOM 1447 C ASN A 89 -7.683 5.773 0.346 1.00 0.00 C ATOM 1448 O ASN A 89 -7.638 5.550 -0.864 1.00 0.00 O ATOM 1449 CB ASN A 89 -9.471 4.813 1.791 1.00 0.00 C ATOM 1450 CG ASN A 89 -10.466 4.677 0.653 1.00 0.00 C ATOM 1451 OD1 ASN A 89 -11.474 5.380 0.610 1.00 0.00 O ATOM 1452 ND2 ASN A 89 -10.190 3.766 -0.276 1.00 0.00 N ATOM 0 H ASN A 89 -7.599 4.668 3.386 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.896 3.704 0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.689 4.062 2.550 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.595 5.788 2.262 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.826 3.630 -1.062 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -9.342 3.203 -0.203 1.00 0.00 H new ATOM 1459 N GLU A 90 -7.457 6.972 0.871 1.00 0.00 N ATOM 1460 CA GLU A 90 -7.136 8.125 0.034 1.00 0.00 C ATOM 1461 C GLU A 90 -5.902 7.868 -0.819 1.00 0.00 C ATOM 1462 O GLU A 90 -5.944 7.987 -2.043 1.00 0.00 O ATOM 1463 CB GLU A 90 -6.897 9.367 0.894 1.00 0.00 C ATOM 1464 CG GLU A 90 -7.089 10.674 0.139 1.00 0.00 C ATOM 1465 CD GLU A 90 -8.550 11.047 -0.008 1.00 0.00 C ATOM 1466 OE1 GLU A 90 -9.276 11.014 1.008 1.00 0.00 O ATOM 1467 OE2 GLU A 90 -8.969 11.372 -1.139 1.00 0.00 O ATOM 0 H GLU A 90 -7.490 7.172 1.871 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.990 8.292 -0.623 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.577 9.346 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.883 9.333 1.294 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.564 11.473 0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.637 10.589 -0.849 1.00 0.00 H new ATOM 1474 N ARG A 91 -4.799 7.531 -0.162 1.00 0.00 N ATOM 1475 CA ARG A 91 -3.546 7.277 -0.855 1.00 0.00 C ATOM 1476 C ARG A 91 -3.664 6.116 -1.834 1.00 0.00 C ATOM 1477 O ARG A 91 -3.252 6.233 -2.990 1.00 0.00 O ATOM 1478 CB ARG A 91 -2.436 6.991 0.149 1.00 0.00 C ATOM 1479 CG ARG A 91 -1.063 7.436 -0.325 1.00 0.00 C ATOM 1480 CD ARG A 91 -0.981 8.949 -0.426 1.00 0.00 C ATOM 1481 NE ARG A 91 -1.316 9.600 0.840 1.00 0.00 N ATOM 1482 CZ ARG A 91 -2.165 10.621 0.954 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -2.757 11.137 -0.119 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -2.420 11.135 2.148 1.00 0.00 N ATOM 0 H ARG A 91 -4.749 7.428 0.852 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.302 8.174 -1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.668 7.493 1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.411 5.921 0.357 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.302 7.073 0.366 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.849 6.992 -1.297 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.026 9.238 -0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.660 9.298 -1.204 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.872 9.251 1.689 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.563 10.751 -1.043 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.405 11.918 -0.018 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.967 10.749 2.977 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.069 11.916 2.239 1.00 0.00 H new ATOM 1498 N ILE A 92 -4.213 4.991 -1.378 1.00 0.00 N ATOM 1499 CA ILE A 92 -4.349 3.833 -2.249 1.00 0.00 C ATOM 1500 C ILE A 92 -5.170 4.191 -3.484 1.00 0.00 C ATOM 1501 O ILE A 92 -4.694 4.056 -4.604 1.00 0.00 O ATOM 1502 CB ILE A 92 -5.013 2.636 -1.530 1.00 0.00 C ATOM 1503 CG1 ILE A 92 -3.967 1.885 -0.717 1.00 0.00 C ATOM 1504 CG2 ILE A 92 -5.679 1.697 -2.531 1.00 0.00 C ATOM 1505 CD1 ILE A 92 -3.798 2.421 0.677 1.00 0.00 C ATOM 0 H ILE A 92 -4.564 4.861 -0.429 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.341 3.538 -2.542 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.786 3.016 -0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.246 0.833 -0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.010 1.934 -1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.138 0.864 -1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.445 2.240 -3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.931 1.315 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.038 1.841 1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.489 3.465 0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.744 2.347 1.213 1.00 0.00 H new ATOM 1517 N GLU A 93 -6.398 4.665 -3.264 1.00 0.00 N ATOM 1518 CA GLU A 93 -7.281 5.052 -4.363 1.00 0.00 C ATOM 1519 C GLU A 93 -6.594 6.048 -5.288 1.00 0.00 C ATOM 1520 O GLU A 93 -6.926 6.148 -6.469 1.00 0.00 O ATOM 1521 CB GLU A 93 -8.582 5.653 -3.822 1.00 0.00 C ATOM 1522 CG GLU A 93 -9.749 4.678 -3.829 1.00 0.00 C ATOM 1523 CD GLU A 93 -11.093 5.376 -3.745 1.00 0.00 C ATOM 1524 OE1 GLU A 93 -11.294 6.368 -4.478 1.00 0.00 O ATOM 1525 OE2 GLU A 93 -11.944 4.930 -2.949 1.00 0.00 O ATOM 0 H GLU A 93 -6.802 4.790 -2.336 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.517 4.154 -4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.416 6.001 -2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.845 6.527 -4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.711 4.079 -4.739 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.648 3.990 -2.990 1.00 0.00 H new ATOM 1532 N ASP A 94 -5.633 6.783 -4.741 1.00 0.00 N ATOM 1533 CA ASP A 94 -4.894 7.770 -5.514 1.00 0.00 C ATOM 1534 C ASP A 94 -4.003 7.086 -6.545 1.00 0.00 C ATOM 1535 O ASP A 94 -3.900 7.536 -7.681 1.00 0.00 O ATOM 1536 CB ASP A 94 -4.050 8.646 -4.581 1.00 0.00 C ATOM 1537 CG ASP A 94 -4.407 10.117 -4.685 1.00 0.00 C ATOM 1538 OD1 ASP A 94 -4.638 10.593 -5.815 1.00 0.00 O ATOM 1539 OD2 ASP A 94 -4.452 10.792 -3.635 1.00 0.00 O ATOM 0 H ASP A 94 -5.348 6.713 -3.764 1.00 0.00 H new ATOM 0 HA ASP A 94 -5.608 8.402 -6.042 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.188 8.314 -3.552 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.995 8.514 -4.820 1.00 0.00 H new ATOM 1544 N TYR A 95 -3.362 5.996 -6.133 1.00 0.00 N ATOM 1545 CA TYR A 95 -2.476 5.241 -7.012 1.00 0.00 C ATOM 1546 C TYR A 95 -3.258 4.191 -7.810 1.00 0.00 C ATOM 1547 O TYR A 95 -3.234 4.195 -9.041 1.00 0.00 O ATOM 1548 CB TYR A 95 -1.355 4.571 -6.204 1.00 0.00 C ATOM 1549 CG TYR A 95 -0.412 5.543 -5.511 1.00 0.00 C ATOM 1550 CD1 TYR A 95 -0.873 6.743 -4.980 1.00 0.00 C ATOM 1551 CD2 TYR A 95 0.943 5.255 -5.386 1.00 0.00 C ATOM 1552 CE1 TYR A 95 -0.017 7.623 -4.347 1.00 0.00 C ATOM 1553 CE2 TYR A 95 1.806 6.133 -4.753 1.00 0.00 C ATOM 1554 CZ TYR A 95 1.320 7.314 -4.237 1.00 0.00 C ATOM 1555 OH TYR A 95 2.173 8.190 -3.605 1.00 0.00 O ATOM 0 H TYR A 95 -3.441 5.615 -5.190 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.027 5.941 -7.717 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.804 3.921 -5.453 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -0.774 3.934 -6.871 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.921 6.992 -5.064 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.328 4.330 -5.790 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -0.395 8.549 -3.940 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.855 5.893 -4.664 1.00 0.00 H new ATOM 0 HH TYR A 95 3.082 7.823 -3.611 1.00 0.00 H new ATOM 1565 N VAL A 96 -3.950 3.293 -7.101 1.00 0.00 N ATOM 1566 CA VAL A 96 -4.738 2.239 -7.747 1.00 0.00 C ATOM 1567 C VAL A 96 -5.724 2.821 -8.743 1.00 0.00 C ATOM 1568 O VAL A 96 -5.787 2.392 -9.895 1.00 0.00 O ATOM 1569 CB VAL A 96 -5.539 1.390 -6.729 1.00 0.00 C ATOM 1570 CG1 VAL A 96 -6.364 2.279 -5.818 1.00 0.00 C ATOM 1571 CG2 VAL A 96 -6.447 0.400 -7.449 1.00 0.00 C ATOM 0 H VAL A 96 -3.980 3.275 -6.082 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.014 1.602 -8.255 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.825 0.834 -6.122 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.918 1.661 -5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.704 2.952 -5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.064 2.863 -6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.000 -0.186 -6.715 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.148 0.943 -8.083 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.843 -0.266 -8.065 1.00 0.00 H new ATOM 1581 N ASN A 97 -6.500 3.796 -8.290 1.00 0.00 N ATOM 1582 CA ASN A 97 -7.488 4.429 -9.136 1.00 0.00 C ATOM 1583 C ASN A 97 -7.073 5.858 -9.457 1.00 0.00 C ATOM 1584 O ASN A 97 -7.812 6.807 -9.201 1.00 0.00 O ATOM 1585 CB ASN A 97 -8.860 4.397 -8.453 1.00 0.00 C ATOM 1586 CG ASN A 97 -9.797 3.388 -9.092 1.00 0.00 C ATOM 1587 OD1 ASN A 97 -10.380 3.644 -10.145 1.00 0.00 O ATOM 1588 ND2 ASN A 97 -9.942 2.229 -8.458 1.00 0.00 N ATOM 0 H ASN A 97 -6.460 4.163 -7.339 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.557 3.879 -10.075 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -8.733 4.154 -7.398 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -9.310 5.389 -8.500 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.556 1.511 -8.843 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.440 2.058 -7.587 1.00 0.00 H new ATOM 1595 N LYS A 98 -5.880 5.996 -10.028 1.00 0.00 N ATOM 1596 CA LYS A 98 -5.359 7.307 -10.397 1.00 0.00 C ATOM 1597 C LYS A 98 -5.974 7.784 -11.713 1.00 0.00 C ATOM 1598 O LYS A 98 -5.612 8.841 -12.229 1.00 0.00 O ATOM 1599 CB LYS A 98 -3.831 7.270 -10.522 1.00 0.00 C ATOM 1600 CG LYS A 98 -3.300 6.101 -11.339 1.00 0.00 C ATOM 1601 CD LYS A 98 -3.233 6.438 -12.820 1.00 0.00 C ATOM 1602 CE LYS A 98 -1.863 6.129 -13.403 1.00 0.00 C ATOM 1603 NZ LYS A 98 -1.042 7.361 -13.564 1.00 0.00 N ATOM 0 H LYS A 98 -5.257 5.218 -10.245 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.630 8.007 -9.607 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.492 8.201 -10.977 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.397 7.228 -9.523 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.307 5.828 -10.982 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.941 5.232 -11.192 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.994 5.872 -13.357 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.461 7.494 -12.964 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.341 5.426 -12.753 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.981 5.641 -14.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.043 7.099 -13.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.365 7.886 -14.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.144 7.959 -12.719 1.00 0.00 H new ATOM 1617 N PHE A 99 -6.913 7.001 -12.248 1.00 0.00 N ATOM 1618 CA PHE A 99 -7.582 7.346 -13.493 1.00 0.00 C ATOM 1619 C PHE A 99 -8.656 8.417 -13.280 1.00 0.00 C ATOM 1620 O PHE A 99 -8.714 9.400 -14.016 1.00 0.00 O ATOM 1621 CB PHE A 99 -8.208 6.100 -14.123 1.00 0.00 C ATOM 1622 CG PHE A 99 -7.204 5.146 -14.719 1.00 0.00 C ATOM 1623 CD1 PHE A 99 -6.063 5.616 -15.353 1.00 0.00 C ATOM 1624 CD2 PHE A 99 -7.407 3.777 -14.647 1.00 0.00 C ATOM 1625 CE1 PHE A 99 -5.145 4.739 -15.900 1.00 0.00 C ATOM 1626 CE2 PHE A 99 -6.492 2.897 -15.193 1.00 0.00 C ATOM 1627 CZ PHE A 99 -5.360 3.379 -15.820 1.00 0.00 C ATOM 0 H PHE A 99 -7.224 6.123 -11.833 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.829 7.754 -14.168 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.788 5.574 -13.365 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -8.906 6.410 -14.901 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.890 6.680 -15.420 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.291 3.393 -14.159 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.260 5.118 -16.390 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.662 1.832 -15.129 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.644 2.692 -16.247 1.00 0.00 H new ATOM 1637 N VAL A 100 -9.513 8.215 -12.281 1.00 0.00 N ATOM 1638 CA VAL A 100 -10.586 9.165 -12.002 1.00 0.00 C ATOM 1639 C VAL A 100 -10.132 10.274 -11.054 1.00 0.00 C ATOM 1640 O VAL A 100 -10.706 11.364 -11.045 1.00 0.00 O ATOM 1641 CB VAL A 100 -11.828 8.461 -11.410 1.00 0.00 C ATOM 1642 CG1 VAL A 100 -11.522 7.868 -10.040 1.00 0.00 C ATOM 1643 CG2 VAL A 100 -13.005 9.425 -11.331 1.00 0.00 C ATOM 0 H VAL A 100 -9.486 7.409 -11.656 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.855 9.613 -12.959 1.00 0.00 H new ATOM 0 HB VAL A 100 -12.100 7.642 -12.075 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -12.414 7.379 -9.648 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.718 7.138 -10.131 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.215 8.663 -9.360 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -13.869 8.910 -10.912 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -12.741 10.270 -10.694 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -13.247 9.786 -12.331 1.00 0.00 H new ATOM 1653 N ILE A 101 -9.103 10.001 -10.260 1.00 0.00 N ATOM 1654 CA ILE A 101 -8.592 10.993 -9.320 1.00 0.00 C ATOM 1655 C ILE A 101 -7.508 11.864 -9.964 1.00 0.00 C ATOM 1656 O ILE A 101 -7.603 13.092 -9.936 1.00 0.00 O ATOM 1657 CB ILE A 101 -8.062 10.339 -8.020 1.00 0.00 C ATOM 1658 CG1 ILE A 101 -7.566 11.402 -7.035 1.00 0.00 C ATOM 1659 CG2 ILE A 101 -6.960 9.344 -8.328 1.00 0.00 C ATOM 1660 CD1 ILE A 101 -8.665 11.992 -6.178 1.00 0.00 C ATOM 0 H ILE A 101 -8.609 9.109 -10.247 1.00 0.00 H new ATOM 0 HA ILE A 101 -9.431 11.634 -9.050 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.888 9.802 -7.554 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.809 10.960 -6.387 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -7.081 12.204 -7.592 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.603 8.897 -7.400 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.348 8.562 -8.981 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -6.136 9.856 -8.825 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.241 12.737 -5.505 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.411 12.463 -6.817 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.135 11.201 -5.594 1.00 0.00 H new ATOM 1672 N CYS A 102 -6.479 11.239 -10.542 1.00 0.00 N ATOM 1673 CA CYS A 102 -5.399 11.992 -11.183 1.00 0.00 C ATOM 1674 C CYS A 102 -5.714 12.306 -12.646 1.00 0.00 C ATOM 1675 O CYS A 102 -4.807 12.554 -13.441 1.00 0.00 O ATOM 1676 CB CYS A 102 -4.074 11.229 -11.104 1.00 0.00 C ATOM 1677 SG CYS A 102 -2.627 12.235 -11.528 1.00 0.00 S ATOM 0 H CYS A 102 -6.371 10.225 -10.579 1.00 0.00 H new ATOM 0 HA CYS A 102 -5.308 12.932 -10.639 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -3.950 10.838 -10.094 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.118 10.371 -11.775 1.00 0.00 H new ATOM 1682 N HIS A 103 -6.995 12.300 -13.000 1.00 0.00 N ATOM 1683 CA HIS A 103 -7.411 12.593 -14.370 1.00 0.00 C ATOM 1684 C HIS A 103 -6.695 11.690 -15.374 1.00 0.00 C ATOM 1685 O HIS A 103 -6.222 12.149 -16.413 1.00 0.00 O ATOM 1686 CB HIS A 103 -7.135 14.061 -14.703 1.00 0.00 C ATOM 1687 CG HIS A 103 -7.782 15.020 -13.752 1.00 0.00 C ATOM 1688 ND1 HIS A 103 -7.602 16.386 -13.816 1.00 0.00 N ATOM 1689 CD2 HIS A 103 -8.616 14.803 -12.707 1.00 0.00 C ATOM 1690 CE1 HIS A 103 -8.294 16.967 -12.852 1.00 0.00 C ATOM 1691 NE2 HIS A 103 -8.919 16.029 -12.166 1.00 0.00 N ATOM 0 H HIS A 103 -7.763 12.096 -12.360 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.481 12.400 -14.442 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -6.058 14.230 -14.701 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.488 14.269 -15.713 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.976 13.845 -12.363 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.340 18.029 -12.659 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -9.529 16.188 -11.364 1.00 0.00 H new ATOM 1699 N GLU A 104 -6.628 10.402 -15.058 1.00 0.00 N ATOM 1700 CA GLU A 104 -5.980 9.423 -15.927 1.00 0.00 C ATOM 1701 C GLU A 104 -4.621 9.911 -16.416 1.00 0.00 C ATOM 1702 O GLU A 104 -4.466 10.296 -17.575 1.00 0.00 O ATOM 1703 CB GLU A 104 -6.878 9.087 -17.118 1.00 0.00 C ATOM 1704 CG GLU A 104 -6.428 7.851 -17.883 1.00 0.00 C ATOM 1705 CD GLU A 104 -7.495 6.773 -17.941 1.00 0.00 C ATOM 1706 OE1 GLU A 104 -8.669 7.079 -17.645 1.00 0.00 O ATOM 1707 OE2 GLU A 104 -7.155 5.621 -18.285 1.00 0.00 O ATOM 0 H GLU A 104 -7.017 10.008 -14.201 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.817 8.521 -15.336 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -7.898 8.935 -16.764 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.901 9.938 -17.798 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.153 8.138 -18.898 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.533 7.444 -17.413 1.00 0.00 H new ATOM 1714 N CYS A 105 -3.634 9.876 -15.528 1.00 0.00 N ATOM 1715 CA CYS A 105 -2.280 10.296 -15.867 1.00 0.00 C ATOM 1716 C CYS A 105 -1.564 9.211 -16.678 1.00 0.00 C ATOM 1717 O CYS A 105 -0.419 8.863 -16.386 1.00 0.00 O ATOM 1718 CB CYS A 105 -1.495 10.601 -14.584 1.00 0.00 C ATOM 1719 SG CYS A 105 -0.469 12.088 -14.671 1.00 0.00 S ATOM 0 H CYS A 105 -3.747 9.560 -14.565 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.336 11.198 -16.477 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.199 10.708 -13.759 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -0.858 9.748 -14.351 1.00 0.00 H new ATOM 1724 N ASN A 106 -2.239 8.680 -17.703 1.00 0.00 N ATOM 1725 CA ASN A 106 -1.663 7.645 -18.556 1.00 0.00 C ATOM 1726 C ASN A 106 -0.600 8.229 -19.482 1.00 0.00 C ATOM 1727 O ASN A 106 0.598 8.074 -19.246 1.00 0.00 O ATOM 1728 CB ASN A 106 -2.770 6.969 -19.370 1.00 0.00 C ATOM 1729 CG ASN A 106 -2.304 5.695 -20.046 1.00 0.00 C ATOM 1730 OD1 ASN A 106 -1.121 5.362 -20.022 1.00 0.00 O ATOM 1731 ND2 ASN A 106 -3.240 4.974 -20.653 1.00 0.00 N ATOM 0 H ASN A 106 -3.188 8.954 -17.959 1.00 0.00 H new ATOM 0 HA ASN A 106 -1.181 6.901 -17.922 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.610 6.741 -18.714 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.135 7.664 -20.126 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -2.989 4.105 -21.125 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -4.210 5.289 -20.648 1.00 0.00 H new ATOM 1738 N ARG A 107 -1.051 8.908 -20.534 1.00 0.00 N ATOM 1739 CA ARG A 107 -0.147 9.525 -21.494 1.00 0.00 C ATOM 1740 C ARG A 107 0.471 10.781 -20.895 1.00 0.00 C ATOM 1741 O ARG A 107 -0.216 11.546 -20.218 1.00 0.00 O ATOM 1742 CB ARG A 107 -0.901 9.875 -22.780 1.00 0.00 C ATOM 1743 CG ARG A 107 -0.031 9.862 -24.028 1.00 0.00 C ATOM 1744 CD ARG A 107 -0.527 10.856 -25.064 1.00 0.00 C ATOM 1745 NE ARG A 107 0.204 10.737 -26.326 1.00 0.00 N ATOM 1746 CZ ARG A 107 1.184 11.557 -26.707 1.00 0.00 C ATOM 1747 NH1 ARG A 107 1.558 12.570 -25.935 1.00 0.00 N ATOM 1748 NH2 ARG A 107 1.792 11.362 -27.869 1.00 0.00 N ATOM 0 H ARG A 107 -2.040 9.044 -20.741 1.00 0.00 H new ATOM 0 HA ARG A 107 0.647 8.818 -21.733 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -1.720 9.168 -22.913 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.347 10.863 -22.670 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.998 10.100 -23.758 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -0.024 8.860 -24.458 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -1.590 10.694 -25.243 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -0.420 11.869 -24.676 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.053 9.977 -26.956 1.00 0.00 H new ATOM 0 HH11 ARG A 107 1.094 12.727 -25.040 1.00 0.00 H new ATOM 0 HH12 ARG A 107 2.309 13.191 -26.237 1.00 0.00 H new ATOM 0 HH21 ARG A 107 1.510 10.587 -28.469 1.00 0.00 H new ATOM 0 HH22 ARG A 107 2.542 11.987 -28.163 1.00 0.00 H new ATOM 1762 N PRO A 108 1.778 11.012 -21.120 1.00 0.00 N ATOM 1763 CA PRO A 108 2.467 12.185 -20.577 1.00 0.00 C ATOM 1764 C PRO A 108 1.830 13.503 -21.008 1.00 0.00 C ATOM 1765 O PRO A 108 2.363 14.219 -21.859 1.00 0.00 O ATOM 1766 CB PRO A 108 3.882 12.070 -21.140 1.00 0.00 C ATOM 1767 CG PRO A 108 4.050 10.633 -21.491 1.00 0.00 C ATOM 1768 CD PRO A 108 2.689 10.149 -21.897 1.00 0.00 C ATOM 0 HA PRO A 108 2.426 12.198 -19.488 1.00 0.00 H new ATOM 0 HB2 PRO A 108 4.010 12.706 -22.016 1.00 0.00 H new ATOM 0 HB3 PRO A 108 4.624 12.385 -20.406 1.00 0.00 H new ATOM 0 HG2 PRO A 108 4.767 10.510 -22.303 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.430 10.065 -20.642 1.00 0.00 H new ATOM 0 HD2 PRO A 108 2.527 10.256 -22.970 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.548 9.095 -21.657 1.00 0.00 H new ATOM 1776 N ASP A 109 0.697 13.824 -20.399 1.00 0.00 N ATOM 1777 CA ASP A 109 -0.011 15.063 -20.689 1.00 0.00 C ATOM 1778 C ASP A 109 0.426 16.155 -19.720 1.00 0.00 C ATOM 1779 O ASP A 109 0.040 17.315 -19.857 1.00 0.00 O ATOM 1780 CB ASP A 109 -1.523 14.853 -20.560 1.00 0.00 C ATOM 1781 CG ASP A 109 -2.113 14.078 -21.720 1.00 0.00 C ATOM 1782 OD1 ASP A 109 -1.520 14.105 -22.817 1.00 0.00 O ATOM 1783 OD2 ASP A 109 -3.176 13.447 -21.530 1.00 0.00 O ATOM 0 H ASP A 109 0.246 13.239 -19.696 1.00 0.00 H new ATOM 0 HA ASP A 109 0.227 15.364 -21.709 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -1.733 14.322 -19.631 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.015 15.823 -20.491 1.00 0.00 H new ATOM 1788 N THR A 110 1.207 15.764 -18.717 1.00 0.00 N ATOM 1789 CA THR A 110 1.669 16.690 -17.699 1.00 0.00 C ATOM 1790 C THR A 110 3.104 16.390 -17.278 1.00 0.00 C ATOM 1791 O THR A 110 3.704 15.417 -17.733 1.00 0.00 O ATOM 1792 CB THR A 110 0.734 16.606 -16.504 1.00 0.00 C ATOM 1793 OG1 THR A 110 0.643 15.272 -16.033 1.00 0.00 O ATOM 1794 CG2 THR A 110 -0.663 17.071 -16.834 1.00 0.00 C ATOM 0 H THR A 110 1.532 14.806 -18.591 1.00 0.00 H new ATOM 0 HA THR A 110 1.661 17.700 -18.109 1.00 0.00 H new ATOM 0 HB THR A 110 1.158 17.260 -15.742 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.126 15.189 -15.432 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.292 16.991 -15.947 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.632 18.109 -17.165 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.075 16.449 -17.628 1.00 0.00 H new ATOM 1802 N ARG A 111 3.652 17.230 -16.402 1.00 0.00 N ATOM 1803 CA ARG A 111 5.014 17.050 -15.917 1.00 0.00 C ATOM 1804 C ARG A 111 5.018 16.168 -14.675 1.00 0.00 C ATOM 1805 O ARG A 111 4.742 16.638 -13.570 1.00 0.00 O ATOM 1806 CB ARG A 111 5.628 18.407 -15.570 1.00 0.00 C ATOM 1807 CG ARG A 111 6.466 19.017 -16.682 1.00 0.00 C ATOM 1808 CD ARG A 111 6.828 20.463 -16.373 1.00 0.00 C ATOM 1809 NE ARG A 111 6.018 21.405 -17.144 1.00 0.00 N ATOM 1810 CZ ARG A 111 4.847 21.893 -16.737 1.00 0.00 C ATOM 1811 NH1 ARG A 111 4.360 21.576 -15.543 1.00 0.00 N ATOM 1812 NH2 ARG A 111 4.165 22.711 -17.525 1.00 0.00 N ATOM 0 H ARG A 111 3.171 18.042 -16.015 1.00 0.00 H new ATOM 0 HA ARG A 111 5.601 16.572 -16.701 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.827 19.100 -15.313 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.250 18.295 -14.682 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.376 18.433 -16.816 1.00 0.00 H new ATOM 0 HG3 ARG A 111 5.916 18.971 -17.622 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.690 20.652 -15.308 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.883 20.628 -16.592 1.00 0.00 H new ATOM 0 HE ARG A 111 6.372 21.708 -18.051 1.00 0.00 H new ATOM 0 HH11 ARG A 111 4.883 20.953 -14.928 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.462 21.955 -15.241 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.537 22.965 -18.440 1.00 0.00 H new ATOM 0 HH22 ARG A 111 3.268 23.086 -17.217 1.00 0.00 H new ATOM 1826 N ILE A 112 5.331 14.892 -14.855 1.00 0.00 N ATOM 1827 CA ILE A 112 5.367 13.961 -13.740 1.00 0.00 C ATOM 1828 C ILE A 112 6.699 14.050 -13.012 1.00 0.00 C ATOM 1829 O ILE A 112 7.754 14.172 -13.634 1.00 0.00 O ATOM 1830 CB ILE A 112 5.140 12.508 -14.197 1.00 0.00 C ATOM 1831 CG1 ILE A 112 4.014 12.437 -15.232 1.00 0.00 C ATOM 1832 CG2 ILE A 112 4.819 11.624 -13.001 1.00 0.00 C ATOM 1833 CD1 ILE A 112 3.912 11.095 -15.925 1.00 0.00 C ATOM 0 H ILE A 112 5.562 14.481 -15.759 1.00 0.00 H new ATOM 0 HA ILE A 112 4.557 14.242 -13.067 1.00 0.00 H new ATOM 0 HB ILE A 112 6.056 12.146 -14.663 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.066 12.656 -14.741 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.171 13.213 -15.982 1.00 0.00 H new ATOM 0 HG21 ILE A 112 4.661 10.600 -13.338 1.00 0.00 H new ATOM 0 HG22 ILE A 112 5.650 11.650 -12.296 1.00 0.00 H new ATOM 0 HG23 ILE A 112 3.916 11.988 -12.511 1.00 0.00 H new ATOM 0 HD11 ILE A 112 3.093 11.118 -16.644 1.00 0.00 H new ATOM 0 HD12 ILE A 112 4.846 10.882 -16.445 1.00 0.00 H new ATOM 0 HD13 ILE A 112 3.723 10.317 -15.185 1.00 0.00 H new ATOM 1845 N ILE A 113 6.639 13.999 -11.690 1.00 0.00 N ATOM 1846 CA ILE A 113 7.835 14.082 -10.865 1.00 0.00 C ATOM 1847 C ILE A 113 7.695 13.210 -9.626 1.00 0.00 C ATOM 1848 O ILE A 113 6.665 13.239 -8.954 1.00 0.00 O ATOM 1849 CB ILE A 113 8.110 15.536 -10.432 1.00 0.00 C ATOM 1850 CG1 ILE A 113 8.157 16.454 -11.655 1.00 0.00 C ATOM 1851 CG2 ILE A 113 9.409 15.624 -9.645 1.00 0.00 C ATOM 1852 CD1 ILE A 113 8.414 17.907 -11.316 1.00 0.00 C ATOM 0 H ILE A 113 5.771 13.900 -11.164 1.00 0.00 H new ATOM 0 HA ILE A 113 8.672 13.726 -11.466 1.00 0.00 H new ATOM 0 HB ILE A 113 7.297 15.864 -9.784 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.937 16.104 -12.331 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.212 16.377 -12.192 1.00 0.00 H new ATOM 0 HG21 ILE A 113 9.585 16.658 -9.348 1.00 0.00 H new ATOM 0 HG22 ILE A 113 9.338 14.998 -8.755 1.00 0.00 H new ATOM 0 HG23 ILE A 113 10.235 15.279 -10.267 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.434 18.496 -12.233 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.621 18.275 -10.665 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.373 17.997 -10.806 1.00 0.00 H new ATOM 1864 N ARG A 114 8.738 12.442 -9.330 1.00 0.00 N ATOM 1865 CA ARG A 114 8.733 11.564 -8.166 1.00 0.00 C ATOM 1866 C ARG A 114 10.097 11.565 -7.478 1.00 0.00 C ATOM 1867 O ARG A 114 11.106 11.195 -8.079 1.00 0.00 O ATOM 1868 CB ARG A 114 8.345 10.136 -8.567 1.00 0.00 C ATOM 1869 CG ARG A 114 7.851 9.295 -7.399 1.00 0.00 C ATOM 1870 CD ARG A 114 6.943 8.159 -7.848 1.00 0.00 C ATOM 1871 NE ARG A 114 7.378 7.530 -9.093 1.00 0.00 N ATOM 1872 CZ ARG A 114 8.506 6.834 -9.227 1.00 0.00 C ATOM 1873 NH1 ARG A 114 9.366 6.738 -8.222 1.00 0.00 N ATOM 1874 NH2 ARG A 114 8.781 6.242 -10.380 1.00 0.00 N ATOM 0 H ARG A 114 9.597 12.410 -9.880 1.00 0.00 H new ATOM 0 HA ARG A 114 7.991 11.943 -7.463 1.00 0.00 H new ATOM 0 HB2 ARG A 114 7.567 10.179 -9.329 1.00 0.00 H new ATOM 0 HB3 ARG A 114 9.207 9.646 -9.019 1.00 0.00 H new ATOM 0 HG2 ARG A 114 8.706 8.883 -6.863 1.00 0.00 H new ATOM 0 HG3 ARG A 114 7.312 9.932 -6.698 1.00 0.00 H new ATOM 0 HD2 ARG A 114 6.901 7.404 -7.063 1.00 0.00 H new ATOM 0 HD3 ARG A 114 5.930 8.541 -7.977 1.00 0.00 H new ATOM 0 HE ARG A 114 6.779 7.630 -9.913 1.00 0.00 H new ATOM 0 HH11 ARG A 114 9.167 7.200 -7.335 1.00 0.00 H new ATOM 0 HH12 ARG A 114 10.226 6.202 -8.336 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.130 6.320 -11.161 1.00 0.00 H new ATOM 0 HH22 ARG A 114 9.644 5.708 -10.486 1.00 0.00 H new ATOM 1888 N GLU A 115 10.124 11.990 -6.219 1.00 0.00 N ATOM 1889 CA GLU A 115 11.367 12.050 -5.456 1.00 0.00 C ATOM 1890 C GLU A 115 11.269 11.221 -4.177 1.00 0.00 C ATOM 1891 O GLU A 115 10.204 11.129 -3.567 1.00 0.00 O ATOM 1892 CB GLU A 115 11.691 13.503 -5.105 1.00 0.00 C ATOM 1893 CG GLU A 115 13.005 13.681 -4.362 1.00 0.00 C ATOM 1894 CD GLU A 115 12.892 14.653 -3.203 1.00 0.00 C ATOM 1895 OE1 GLU A 115 12.935 15.877 -3.448 1.00 0.00 O ATOM 1896 OE2 GLU A 115 12.761 14.191 -2.051 1.00 0.00 O ATOM 0 H GLU A 115 9.299 12.298 -5.705 1.00 0.00 H new ATOM 0 HA GLU A 115 12.164 11.635 -6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.722 14.090 -6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 115 10.883 13.908 -4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 115 13.341 12.714 -3.989 1.00 0.00 H new ATOM 0 HG3 GLU A 115 13.766 14.036 -5.057 1.00 0.00 H new ATOM 1903 N GLY A 116 12.389 10.627 -3.773 1.00 0.00 N ATOM 1904 CA GLY A 116 12.409 9.822 -2.565 1.00 0.00 C ATOM 1905 C GLY A 116 12.250 8.337 -2.837 1.00 0.00 C ATOM 1906 O GLY A 116 11.919 7.568 -1.934 1.00 0.00 O ATOM 0 H GLY A 116 13.283 10.689 -4.261 1.00 0.00 H new ATOM 0 HA2 GLY A 116 13.349 9.990 -2.039 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.609 10.152 -1.902 1.00 0.00 H new ATOM 1910 N ARG A 117 12.489 7.931 -4.081 1.00 0.00 N ATOM 1911 CA ARG A 117 12.374 6.529 -4.465 1.00 0.00 C ATOM 1912 C ARG A 117 10.939 6.032 -4.303 1.00 0.00 C ATOM 1913 O ARG A 117 10.654 5.184 -3.456 1.00 0.00 O ATOM 1914 CB ARG A 117 13.326 5.667 -3.633 1.00 0.00 C ATOM 1915 CG ARG A 117 13.959 4.531 -4.419 1.00 0.00 C ATOM 1916 CD ARG A 117 15.387 4.269 -3.969 1.00 0.00 C ATOM 1917 NE ARG A 117 15.954 3.084 -4.610 1.00 0.00 N ATOM 1918 CZ ARG A 117 16.389 2.008 -3.952 1.00 0.00 C ATOM 1919 NH1 ARG A 117 16.324 1.951 -2.627 1.00 0.00 N ATOM 1920 NH2 ARG A 117 16.891 0.981 -4.626 1.00 0.00 N ATOM 0 H ARG A 117 12.764 8.554 -4.840 1.00 0.00 H new ATOM 0 HA ARG A 117 12.649 6.445 -5.516 1.00 0.00 H new ATOM 0 HB2 ARG A 117 14.114 6.300 -3.226 1.00 0.00 H new ATOM 0 HB3 ARG A 117 12.781 5.252 -2.785 1.00 0.00 H new ATOM 0 HG2 ARG A 117 13.365 3.626 -4.294 1.00 0.00 H new ATOM 0 HG3 ARG A 117 13.950 4.773 -5.482 1.00 0.00 H new ATOM 0 HD2 ARG A 117 16.005 5.137 -4.200 1.00 0.00 H new ATOM 0 HD3 ARG A 117 15.408 4.141 -2.887 1.00 0.00 H new ATOM 0 HE ARG A 117 16.022 3.079 -5.628 1.00 0.00 H new ATOM 0 HH11 ARG A 117 15.938 2.735 -2.101 1.00 0.00 H new ATOM 0 HH12 ARG A 117 16.660 1.123 -2.135 1.00 0.00 H new ATOM 0 HH21 ARG A 117 16.943 1.016 -5.644 1.00 0.00 H new ATOM 0 HH22 ARG A 117 17.224 0.157 -4.126 1.00 0.00 H new ATOM 1934 N ILE A 118 10.040 6.564 -5.124 1.00 0.00 N ATOM 1935 CA ILE A 118 8.636 6.174 -5.080 1.00 0.00 C ATOM 1936 C ILE A 118 8.017 6.497 -3.725 1.00 0.00 C ATOM 1937 O ILE A 118 7.539 5.611 -3.015 1.00 0.00 O ATOM 1938 CB ILE A 118 8.454 4.671 -5.380 1.00 0.00 C ATOM 1939 CG1 ILE A 118 9.309 4.254 -6.581 1.00 0.00 C ATOM 1940 CG2 ILE A 118 6.987 4.355 -5.636 1.00 0.00 C ATOM 1941 CD1 ILE A 118 9.985 2.911 -6.405 1.00 0.00 C ATOM 0 H ILE A 118 10.259 7.268 -5.829 1.00 0.00 H new ATOM 0 HA ILE A 118 8.125 6.749 -5.853 1.00 0.00 H new ATOM 0 HB ILE A 118 8.784 4.104 -4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 118 8.680 4.221 -7.471 1.00 0.00 H new ATOM 0 HG13 ILE A 118 10.070 5.014 -6.757 1.00 0.00 H new ATOM 0 HG21 ILE A 118 6.875 3.291 -5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 118 6.400 4.615 -4.755 1.00 0.00 H new ATOM 0 HG23 ILE A 118 6.634 4.933 -6.490 1.00 0.00 H new ATOM 0 HD11 ILE A 118 10.573 2.680 -7.293 1.00 0.00 H new ATOM 0 HD12 ILE A 118 10.640 2.945 -5.535 1.00 0.00 H new ATOM 0 HD13 ILE A 118 9.229 2.139 -6.260 1.00 0.00 H new ATOM 1953 N SER A 119 8.031 7.778 -3.373 1.00 0.00 N ATOM 1954 CA SER A 119 7.474 8.233 -2.102 1.00 0.00 C ATOM 1955 C SER A 119 6.821 9.609 -2.240 1.00 0.00 C ATOM 1956 O SER A 119 5.852 9.919 -1.548 1.00 0.00 O ATOM 1957 CB SER A 119 8.573 8.286 -1.038 1.00 0.00 C ATOM 1958 OG SER A 119 9.746 8.898 -1.546 1.00 0.00 O ATOM 0 H SER A 119 8.423 8.522 -3.951 1.00 0.00 H new ATOM 0 HA SER A 119 6.706 7.522 -1.799 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.217 8.841 -0.170 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.804 7.276 -0.698 1.00 0.00 H new ATOM 0 HG SER A 119 10.529 8.369 -1.287 1.00 0.00 H new ATOM 1964 N LEU A 120 7.369 10.432 -3.129 1.00 0.00 N ATOM 1965 CA LEU A 120 6.859 11.782 -3.356 1.00 0.00 C ATOM 1966 C LEU A 120 6.531 12.002 -4.828 1.00 0.00 C ATOM 1967 O LEU A 120 7.273 11.559 -5.696 1.00 0.00 O ATOM 1968 CB LEU A 120 7.910 12.796 -2.911 1.00 0.00 C ATOM 1969 CG LEU A 120 8.557 12.496 -1.559 1.00 0.00 C ATOM 1970 CD1 LEU A 120 9.611 13.542 -1.232 1.00 0.00 C ATOM 1971 CD2 LEU A 120 7.498 12.429 -0.465 1.00 0.00 C ATOM 0 H LEU A 120 8.172 10.186 -3.708 1.00 0.00 H new ATOM 0 HA LEU A 120 5.944 11.911 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 120 8.692 12.845 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.447 13.782 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 120 9.048 11.525 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 120 10.062 13.314 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 120 10.381 13.536 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 120 9.146 14.527 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 120 7.976 12.215 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.977 13.384 -0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.783 11.640 -0.698 1.00 0.00 H new ATOM 1983 N LEU A 121 5.426 12.693 -5.107 1.00 0.00 N ATOM 1984 CA LEU A 121 5.031 12.963 -6.492 1.00 0.00 C ATOM 1985 C LEU A 121 4.113 14.184 -6.593 1.00 0.00 C ATOM 1986 O LEU A 121 3.236 14.383 -5.753 1.00 0.00 O ATOM 1987 CB LEU A 121 4.335 11.738 -7.094 1.00 0.00 C ATOM 1988 CG LEU A 121 3.835 11.916 -8.532 1.00 0.00 C ATOM 1989 CD1 LEU A 121 4.794 11.265 -9.518 1.00 0.00 C ATOM 1990 CD2 LEU A 121 2.436 11.337 -8.688 1.00 0.00 C ATOM 0 H LEU A 121 4.794 13.073 -4.402 1.00 0.00 H new ATOM 0 HA LEU A 121 5.939 13.179 -7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.027 10.897 -7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 121 3.488 11.473 -6.461 1.00 0.00 H new ATOM 0 HG LEU A 121 3.792 12.983 -8.749 1.00 0.00 H new ATOM 0 HD11 LEU A 121 4.421 11.402 -10.533 1.00 0.00 H new ATOM 0 HD12 LEU A 121 5.778 11.726 -9.427 1.00 0.00 H new ATOM 0 HD13 LEU A 121 4.871 10.200 -9.301 1.00 0.00 H new ATOM 0 HD21 LEU A 121 2.098 11.473 -9.715 1.00 0.00 H new ATOM 0 HD22 LEU A 121 2.454 10.274 -8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 121 1.753 11.849 -8.011 1.00 0.00 H new ATOM 2002 N LYS A 122 4.319 14.994 -7.641 1.00 0.00 N ATOM 2003 CA LYS A 122 3.505 16.195 -7.868 1.00 0.00 C ATOM 2004 C LYS A 122 2.905 16.203 -9.275 1.00 0.00 C ATOM 2005 O LYS A 122 3.516 15.717 -10.227 1.00 0.00 O ATOM 2006 CB LYS A 122 4.313 17.476 -7.634 1.00 0.00 C ATOM 2007 CG LYS A 122 5.632 17.538 -8.387 1.00 0.00 C ATOM 2008 CD LYS A 122 6.014 18.976 -8.704 1.00 0.00 C ATOM 2009 CE LYS A 122 6.837 19.598 -7.584 1.00 0.00 C ATOM 2010 NZ LYS A 122 6.074 20.642 -6.842 1.00 0.00 N ATOM 0 H LYS A 122 5.042 14.839 -8.344 1.00 0.00 H new ATOM 0 HA LYS A 122 2.691 16.167 -7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 122 3.704 18.332 -7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.514 17.574 -6.567 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.417 17.073 -7.791 1.00 0.00 H new ATOM 0 HG3 LYS A 122 5.554 16.967 -9.312 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.583 19.005 -9.633 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.111 19.566 -8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 122 7.153 18.819 -6.891 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.742 20.039 -8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.671 21.039 -6.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 5.794 21.399 -7.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 5.223 20.217 -6.421 1.00 0.00 H new ATOM 2024 N CYS A 123 1.697 16.749 -9.390 1.00 0.00 N ATOM 2025 CA CYS A 123 0.994 16.813 -10.668 1.00 0.00 C ATOM 2026 C CYS A 123 0.260 18.145 -10.815 1.00 0.00 C ATOM 2027 O CYS A 123 -0.893 18.188 -11.245 1.00 0.00 O ATOM 2028 CB CYS A 123 -0.001 15.650 -10.784 1.00 0.00 C ATOM 2029 SG CYS A 123 0.622 14.227 -11.715 1.00 0.00 S ATOM 0 H CYS A 123 1.182 17.156 -8.609 1.00 0.00 H new ATOM 0 HA CYS A 123 1.730 16.733 -11.468 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -0.276 15.321 -9.782 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -0.911 16.012 -11.262 1.00 0.00 H new ATOM 2034 N GLU A 124 0.934 19.232 -10.445 1.00 0.00 N ATOM 2035 CA GLU A 124 0.350 20.571 -10.525 1.00 0.00 C ATOM 2036 C GLU A 124 -0.323 20.820 -11.874 1.00 0.00 C ATOM 2037 O GLU A 124 -1.241 21.634 -11.976 1.00 0.00 O ATOM 2038 CB GLU A 124 1.426 21.634 -10.290 1.00 0.00 C ATOM 2039 CG GLU A 124 2.684 21.417 -11.116 1.00 0.00 C ATOM 2040 CD GLU A 124 2.963 22.564 -12.068 1.00 0.00 C ATOM 2041 OE1 GLU A 124 2.763 23.730 -11.669 1.00 0.00 O ATOM 2042 OE2 GLU A 124 3.382 22.297 -13.214 1.00 0.00 O ATOM 0 H GLU A 124 1.888 19.212 -10.086 1.00 0.00 H new ATOM 0 HA GLU A 124 -0.412 20.638 -9.748 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.013 22.615 -10.523 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.692 21.643 -9.233 1.00 0.00 H new ATOM 0 HG2 GLU A 124 3.535 21.290 -10.447 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.585 20.493 -11.686 1.00 0.00 H new ATOM 2049 N ALA A 125 0.141 20.129 -12.908 1.00 0.00 N ATOM 2050 CA ALA A 125 -0.418 20.297 -14.244 1.00 0.00 C ATOM 2051 C ALA A 125 -1.848 19.767 -14.326 1.00 0.00 C ATOM 2052 O ALA A 125 -2.796 20.546 -14.423 1.00 0.00 O ATOM 2053 CB ALA A 125 0.471 19.620 -15.271 1.00 0.00 C ATOM 0 H ALA A 125 0.900 19.450 -12.848 1.00 0.00 H new ATOM 0 HA ALA A 125 -0.457 21.364 -14.463 1.00 0.00 H new ATOM 0 HB1 ALA A 125 0.044 19.752 -16.265 1.00 0.00 H new ATOM 0 HB2 ALA A 125 1.465 20.065 -15.241 1.00 0.00 H new ATOM 0 HB3 ALA A 125 0.543 18.556 -15.045 1.00 0.00 H new ATOM 2059 N CYS A 126 -2.007 18.447 -14.282 1.00 0.00 N ATOM 2060 CA CYS A 126 -3.337 17.842 -14.348 1.00 0.00 C ATOM 2061 C CYS A 126 -4.015 17.883 -12.984 1.00 0.00 C ATOM 2062 O CYS A 126 -4.613 16.902 -12.542 1.00 0.00 O ATOM 2063 CB CYS A 126 -3.266 16.399 -14.865 1.00 0.00 C ATOM 2064 SG CYS A 126 -2.331 15.269 -13.810 1.00 0.00 S ATOM 0 H CYS A 126 -1.240 17.780 -14.202 1.00 0.00 H new ATOM 0 HA CYS A 126 -3.932 18.425 -15.051 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -4.280 16.016 -14.976 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -2.817 16.404 -15.858 1.00 0.00 H new ATOM 2069 N GLY A 127 -3.912 19.027 -12.318 1.00 0.00 N ATOM 2070 CA GLY A 127 -4.507 19.179 -11.012 1.00 0.00 C ATOM 2071 C GLY A 127 -3.462 19.413 -9.944 1.00 0.00 C ATOM 2072 O GLY A 127 -2.721 20.395 -9.998 1.00 0.00 O ATOM 0 H GLY A 127 -3.424 19.853 -12.664 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -5.206 20.015 -11.026 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -5.083 18.286 -10.768 1.00 0.00 H new ATOM 2076 N ALA A 128 -3.393 18.507 -8.976 1.00 0.00 N ATOM 2077 CA ALA A 128 -2.417 18.624 -7.900 1.00 0.00 C ATOM 2078 C ALA A 128 -2.055 17.262 -7.310 1.00 0.00 C ATOM 2079 O ALA A 128 -2.868 16.338 -7.293 1.00 0.00 O ATOM 2080 CB ALA A 128 -2.931 19.555 -6.811 1.00 0.00 C ATOM 0 H ALA A 128 -3.998 17.688 -8.914 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.509 19.048 -8.328 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.189 19.630 -6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -3.112 20.544 -7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.861 19.159 -6.403 1.00 0.00 H new ATOM 2086 N LYS A 129 -0.829 17.159 -6.813 1.00 0.00 N ATOM 2087 CA LYS A 129 -0.341 15.932 -6.200 1.00 0.00 C ATOM 2088 C LYS A 129 0.566 16.288 -5.029 1.00 0.00 C ATOM 2089 O LYS A 129 1.161 17.362 -5.012 1.00 0.00 O ATOM 2090 CB LYS A 129 0.415 15.082 -7.222 1.00 0.00 C ATOM 2091 CG LYS A 129 -0.265 13.770 -7.560 1.00 0.00 C ATOM 2092 CD LYS A 129 -0.060 12.738 -6.465 1.00 0.00 C ATOM 2093 CE LYS A 129 -1.377 12.357 -5.809 1.00 0.00 C ATOM 2094 NZ LYS A 129 -1.168 11.574 -4.560 1.00 0.00 N ATOM 0 H LYS A 129 -0.149 17.919 -6.823 1.00 0.00 H new ATOM 0 HA LYS A 129 -1.188 15.348 -5.840 1.00 0.00 H new ATOM 0 HB2 LYS A 129 0.541 15.660 -8.137 1.00 0.00 H new ATOM 0 HB3 LYS A 129 1.413 14.873 -6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -1.332 13.939 -7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 129 0.129 13.387 -8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 129 0.410 11.849 -6.885 1.00 0.00 H new ATOM 0 HD3 LYS A 129 0.622 13.134 -5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -1.944 13.260 -5.581 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -1.975 11.773 -6.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -2.087 11.377 -4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -0.694 10.677 -4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -0.576 12.121 -3.903 1.00 0.00 H new ATOM 2108 N ALA A 130 0.656 15.398 -4.050 1.00 0.00 N ATOM 2109 CA ALA A 130 1.483 15.643 -2.872 1.00 0.00 C ATOM 2110 C ALA A 130 2.949 15.294 -3.131 1.00 0.00 C ATOM 2111 O ALA A 130 3.311 14.119 -3.182 1.00 0.00 O ATOM 2112 CB ALA A 130 0.949 14.847 -1.690 1.00 0.00 C ATOM 0 H ALA A 130 0.169 14.502 -4.046 1.00 0.00 H new ATOM 0 HA ALA A 130 1.435 16.707 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 130 1.571 15.034 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -0.076 15.152 -1.479 1.00 0.00 H new ATOM 0 HB3 ALA A 130 0.969 13.784 -1.928 1.00 0.00 H new ATOM 2118 N PRO A 131 3.821 16.312 -3.304 1.00 0.00 N ATOM 2119 CA PRO A 131 5.248 16.093 -3.561 1.00 0.00 C ATOM 2120 C PRO A 131 6.016 15.670 -2.303 1.00 0.00 C ATOM 2121 O PRO A 131 5.857 14.544 -1.831 1.00 0.00 O ATOM 2122 CB PRO A 131 5.712 17.457 -4.078 1.00 0.00 C ATOM 2123 CG PRO A 131 4.831 18.427 -3.375 1.00 0.00 C ATOM 2124 CD PRO A 131 3.489 17.752 -3.269 1.00 0.00 C ATOM 0 HA PRO A 131 5.428 15.278 -4.262 1.00 0.00 H new ATOM 0 HB2 PRO A 131 6.763 17.634 -3.849 1.00 0.00 H new ATOM 0 HB3 PRO A 131 5.604 17.531 -5.160 1.00 0.00 H new ATOM 0 HG2 PRO A 131 5.226 18.672 -2.389 1.00 0.00 H new ATOM 0 HG3 PRO A 131 4.757 19.362 -3.930 1.00 0.00 H new ATOM 0 HD2 PRO A 131 2.976 18.023 -2.346 1.00 0.00 H new ATOM 0 HD3 PRO A 131 2.833 18.032 -4.093 1.00 0.00 H new ATOM 2132 N LEU A 132 6.854 16.560 -1.759 1.00 0.00 N ATOM 2133 CA LEU A 132 7.632 16.232 -0.570 1.00 0.00 C ATOM 2134 C LEU A 132 7.052 16.884 0.683 1.00 0.00 C ATOM 2135 O LEU A 132 6.789 16.198 1.669 1.00 0.00 O ATOM 2136 CB LEU A 132 9.112 16.618 -0.755 1.00 0.00 C ATOM 2137 CG LEU A 132 9.415 18.110 -0.942 1.00 0.00 C ATOM 2138 CD1 LEU A 132 10.903 18.371 -0.767 1.00 0.00 C ATOM 2139 CD2 LEU A 132 8.960 18.590 -2.312 1.00 0.00 C ATOM 0 H LEU A 132 7.006 17.501 -2.122 1.00 0.00 H new ATOM 0 HA LEU A 132 7.575 15.152 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 132 9.667 16.264 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 132 9.498 16.081 -1.621 1.00 0.00 H new ATOM 0 HG LEU A 132 8.864 18.665 -0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 132 11.104 19.434 -0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 132 11.210 18.068 0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 132 11.462 17.799 -1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 132 9.186 19.651 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 132 9.482 18.028 -3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 132 7.886 18.436 -2.413 1.00 0.00 H new ATOM 2151 N LYS A 133 6.844 18.201 0.644 1.00 0.00 N ATOM 2152 CA LYS A 133 6.286 18.928 1.788 1.00 0.00 C ATOM 2153 C LYS A 133 6.315 20.436 1.548 1.00 0.00 C ATOM 2154 O LYS A 133 7.385 21.040 1.469 1.00 0.00 O ATOM 2155 CB LYS A 133 7.060 18.602 3.073 1.00 0.00 C ATOM 2156 CG LYS A 133 6.371 19.089 4.340 1.00 0.00 C ATOM 2157 CD LYS A 133 5.559 17.982 4.997 1.00 0.00 C ATOM 2158 CE LYS A 133 6.453 16.988 5.721 1.00 0.00 C ATOM 2159 NZ LYS A 133 5.697 15.787 6.175 1.00 0.00 N ATOM 0 H LYS A 133 7.053 18.786 -0.165 1.00 0.00 H new ATOM 0 HA LYS A 133 5.250 18.608 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 133 7.201 17.523 3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 133 8.052 19.050 3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 133 7.118 19.459 5.042 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.717 19.927 4.100 1.00 0.00 H new ATOM 0 HD2 LYS A 133 4.852 18.418 5.703 1.00 0.00 H new ATOM 0 HD3 LYS A 133 4.973 17.461 4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 133 7.262 16.679 5.059 1.00 0.00 H new ATOM 0 HE3 LYS A 133 6.913 17.474 6.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 6.343 15.135 6.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 4.941 16.079 6.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 5.279 15.308 5.352 1.00 0.00 H new ATOM 2173 N ASN A 134 5.136 21.039 1.438 1.00 0.00 N ATOM 2174 CA ASN A 134 5.030 22.479 1.215 1.00 0.00 C ATOM 2175 C ASN A 134 5.474 23.261 2.451 1.00 0.00 C ATOM 2176 O ASN A 134 5.726 22.682 3.506 1.00 0.00 O ATOM 2177 CB ASN A 134 3.594 22.861 0.826 1.00 0.00 C ATOM 2178 CG ASN A 134 2.618 22.852 1.996 1.00 0.00 C ATOM 2179 OD1 ASN A 134 1.614 23.566 1.978 1.00 0.00 O ATOM 2180 ND2 ASN A 134 2.897 22.048 3.018 1.00 0.00 N ATOM 0 H ASN A 134 4.240 20.555 1.499 1.00 0.00 H new ATOM 0 HA ASN A 134 5.695 22.741 0.392 1.00 0.00 H new ATOM 0 HB2 ASN A 134 3.601 23.855 0.378 1.00 0.00 H new ATOM 0 HB3 ASN A 134 3.238 22.169 0.062 1.00 0.00 H new ATOM 0 HD21 ASN A 134 2.270 22.008 3.822 1.00 0.00 H new ATOM 0 HD22 ASN A 134 3.738 21.471 2.998 1.00 0.00 H new ATOM 2187 N VAL A 135 5.572 24.581 2.308 1.00 0.00 N ATOM 2188 CA VAL A 135 5.990 25.439 3.412 1.00 0.00 C ATOM 2189 C VAL A 135 4.786 25.995 4.164 1.00 0.00 C ATOM 2190 O VAL A 135 4.973 26.936 4.962 1.00 0.00 O ATOM 2191 CB VAL A 135 6.853 26.613 2.914 1.00 0.00 C ATOM 2192 CG1 VAL A 135 8.182 26.104 2.374 1.00 0.00 C ATOM 2193 CG2 VAL A 135 6.108 27.418 1.857 1.00 0.00 C ATOM 2194 OXT VAL A 135 3.667 25.483 3.948 1.00 0.00 O ATOM 0 H VAL A 135 5.368 25.078 1.441 1.00 0.00 H new ATOM 0 HA VAL A 135 6.582 24.820 4.086 1.00 0.00 H new ATOM 0 HB VAL A 135 7.058 27.273 3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 135 8.780 26.946 2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 135 8.719 25.580 3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 135 8.000 25.421 1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.735 28.243 1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 135 5.868 26.774 1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 135 5.187 27.814 2.284 1.00 0.00 H new TER 2204 VAL A 135 HETATM 2205 ZN ZN A 136 -1.201 13.455 -12.932 1.00 0.00 ZN