USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 615 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 15 THR OG1 : rot 180:sc= 0.036 USER MOD Set 1.2: A 18 GLN : amide:sc= -1.27 X(o=-1.2,f=-1.5) USER MOD Single : A 1 SER N :NH3+ 131:sc= 0.237 (180deg=0.00704) USER MOD Single : A 1 SER OG : rot 180:sc= 0.053 USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.0205 (180deg=-0.212) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 91:sc= 0.0452 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= -1.11 (180deg=-1.13) USER MOD Single : A 30 LYS NZ :NH3+ 157:sc= -0.0276 (180deg=-0.25) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 31:sc= 0.607 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0753 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 42 HIS : no HD1:sc= -0.04 X(o=-0.04,f=-0.0085) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.578 K(o=0.58,f=-0.055) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0.783 K(o=0.78,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.799 K(o=0.8,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -2.418 8.299 13.746 1.00 0.00 N ATOM 2 CA SER A 1 -2.534 9.740 13.463 1.00 0.00 C ATOM 3 C SER A 1 -2.675 9.974 11.951 1.00 0.00 C ATOM 4 O SER A 1 -2.661 9.007 11.187 1.00 0.00 O ATOM 5 CB SER A 1 -1.324 10.481 14.052 1.00 0.00 C ATOM 6 OG SER A 1 -0.971 9.995 15.341 1.00 0.00 O ATOM 0 H1 SER A 1 -1.611 8.134 14.380 1.00 0.00 H new ATOM 0 H2 SER A 1 -3.291 7.963 14.202 1.00 0.00 H new ATOM 0 H3 SER A 1 -2.271 7.781 12.856 1.00 0.00 H new ATOM 0 HA SER A 1 -3.432 10.138 13.936 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.473 10.374 13.380 1.00 0.00 H new ATOM 0 HB3 SER A 1 -1.548 11.546 14.116 1.00 0.00 H new ATOM 0 HG SER A 1 -0.196 10.492 15.677 1.00 0.00 H new ATOM 12 N ALA A 2 -2.810 11.230 11.502 1.00 0.00 N ATOM 13 CA ALA A 2 -2.630 11.653 10.111 1.00 0.00 C ATOM 14 C ALA A 2 -2.408 13.178 10.066 1.00 0.00 C ATOM 15 O ALA A 2 -3.268 13.908 9.564 1.00 0.00 O ATOM 16 CB ALA A 2 -3.838 11.241 9.253 1.00 0.00 C ATOM 0 H ALA A 2 -3.056 12.003 12.120 1.00 0.00 H new ATOM 0 HA ALA A 2 -1.753 11.157 9.695 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -3.681 11.566 8.224 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.949 10.157 9.278 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.741 11.708 9.647 1.00 0.00 H new ATOM 22 N PRO A 3 -1.287 13.698 10.596 1.00 0.00 N ATOM 23 CA PRO A 3 -1.094 15.132 10.764 1.00 0.00 C ATOM 24 C PRO A 3 -1.106 15.864 9.423 1.00 0.00 C ATOM 25 O PRO A 3 -0.516 15.401 8.445 1.00 0.00 O ATOM 26 CB PRO A 3 0.239 15.300 11.498 1.00 0.00 C ATOM 27 CG PRO A 3 0.982 14.000 11.202 1.00 0.00 C ATOM 28 CD PRO A 3 -0.123 12.962 11.054 1.00 0.00 C ATOM 0 HA PRO A 3 -1.909 15.574 11.337 1.00 0.00 H new ATOM 0 HB2 PRO A 3 0.790 16.168 11.134 1.00 0.00 H new ATOM 0 HB3 PRO A 3 0.091 15.442 12.569 1.00 0.00 H new ATOM 0 HG2 PRO A 3 1.577 14.080 10.292 1.00 0.00 H new ATOM 0 HG3 PRO A 3 1.667 13.740 12.009 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.158 12.188 10.340 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.322 12.463 12.002 1.00 0.00 H new ATOM 36 N GLY A 4 -1.747 17.032 9.386 1.00 0.00 N ATOM 37 CA GLY A 4 -1.737 17.924 8.238 1.00 0.00 C ATOM 38 C GLY A 4 -0.365 18.572 8.102 1.00 0.00 C ATOM 39 O GLY A 4 -0.103 19.588 8.756 1.00 0.00 O ATOM 0 H GLY A 4 -2.296 17.387 10.169 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.979 17.369 7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.502 18.691 8.355 1.00 0.00 H new ATOM 43 N GLY A 5 0.514 17.972 7.303 1.00 0.00 N ATOM 44 CA GLY A 5 1.872 18.435 7.049 1.00 0.00 C ATOM 45 C GLY A 5 2.251 18.181 5.595 1.00 0.00 C ATOM 46 O GLY A 5 2.619 19.113 4.882 1.00 0.00 O ATOM 0 H GLY A 5 0.289 17.116 6.796 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.949 19.499 7.272 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.569 17.920 7.710 1.00 0.00 H new ATOM 50 N LYS A 6 2.150 16.934 5.129 1.00 0.00 N ATOM 51 CA LYS A 6 2.386 16.590 3.730 1.00 0.00 C ATOM 52 C LYS A 6 1.157 16.938 2.887 1.00 0.00 C ATOM 53 O LYS A 6 0.041 16.968 3.405 1.00 0.00 O ATOM 54 CB LYS A 6 2.760 15.104 3.645 1.00 0.00 C ATOM 55 CG LYS A 6 3.438 14.785 2.307 1.00 0.00 C ATOM 56 CD LYS A 6 4.071 13.389 2.320 1.00 0.00 C ATOM 57 CE LYS A 6 4.942 13.189 1.074 1.00 0.00 C ATOM 58 NZ LYS A 6 6.165 14.024 1.096 1.00 0.00 N ATOM 0 H LYS A 6 1.902 16.136 5.714 1.00 0.00 H new ATOM 0 HA LYS A 6 3.215 17.171 3.325 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.428 14.846 4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.865 14.493 3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.705 14.847 1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.204 15.532 2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.675 13.264 3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.291 12.629 2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.224 12.139 0.997 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.359 13.428 0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.835 13.678 0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.915 15.012 0.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.605 13.970 2.037 1.00 0.00 H new ATOM 72 N SER A 7 1.339 17.202 1.595 1.00 0.00 N ATOM 73 CA SER A 7 0.268 17.402 0.630 1.00 0.00 C ATOM 74 C SER A 7 -0.134 16.037 0.081 1.00 0.00 C ATOM 75 O SER A 7 0.700 15.337 -0.505 1.00 0.00 O ATOM 76 CB SER A 7 0.763 18.308 -0.499 1.00 0.00 C ATOM 77 OG SER A 7 -0.310 18.727 -1.312 1.00 0.00 O ATOM 0 H SER A 7 2.267 17.285 1.181 1.00 0.00 H new ATOM 0 HA SER A 7 -0.593 17.878 1.100 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.268 19.178 -0.078 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.497 17.775 -1.104 1.00 0.00 H new ATOM 0 HG SER A 7 0.028 19.307 -2.026 1.00 0.00 H new ATOM 83 N ARG A 8 -1.386 15.617 0.272 1.00 0.00 N ATOM 84 CA ARG A 8 -1.918 14.434 -0.411 1.00 0.00 C ATOM 85 C ARG A 8 -2.209 14.766 -1.881 1.00 0.00 C ATOM 86 O ARG A 8 -2.190 15.933 -2.282 1.00 0.00 O ATOM 87 CB ARG A 8 -3.198 13.940 0.303 1.00 0.00 C ATOM 88 CG ARG A 8 -3.159 12.416 0.482 1.00 0.00 C ATOM 89 CD ARG A 8 -4.531 11.801 0.797 1.00 0.00 C ATOM 90 NE ARG A 8 -4.435 10.541 1.561 1.00 0.00 N ATOM 91 CZ ARG A 8 -3.683 9.461 1.313 1.00 0.00 C ATOM 92 NH1 ARG A 8 -2.984 9.337 0.188 1.00 0.00 N ATOM 93 NH2 ARG A 8 -3.616 8.485 2.205 1.00 0.00 N ATOM 0 H ARG A 8 -2.051 16.077 0.893 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.176 13.636 -0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.289 14.424 1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.077 14.222 -0.277 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.766 11.961 -0.427 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.466 12.170 1.287 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -5.124 12.519 1.364 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.063 11.614 -0.136 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.023 10.486 2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.012 10.077 -0.514 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.420 8.502 0.027 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.137 8.556 3.079 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.044 7.662 2.018 1.00 0.00 H new ATOM 107 N ARG A 9 -2.570 13.754 -2.677 1.00 0.00 N ATOM 108 CA ARG A 9 -3.610 13.905 -3.691 1.00 0.00 C ATOM 109 C ARG A 9 -4.765 13.038 -3.225 1.00 0.00 C ATOM 110 O ARG A 9 -4.556 11.845 -2.969 1.00 0.00 O ATOM 111 CB ARG A 9 -3.168 13.450 -5.087 1.00 0.00 C ATOM 112 CG ARG A 9 -2.048 14.304 -5.694 1.00 0.00 C ATOM 113 CD ARG A 9 -1.969 14.125 -7.215 1.00 0.00 C ATOM 114 NE ARG A 9 -1.989 12.718 -7.643 1.00 0.00 N ATOM 115 CZ ARG A 9 -0.972 11.859 -7.703 1.00 0.00 C ATOM 116 NH1 ARG A 9 0.275 12.284 -7.509 1.00 0.00 N ATOM 117 NH2 ARG A 9 -1.219 10.570 -7.930 1.00 0.00 N ATOM 0 H ARG A 9 -2.155 12.823 -2.636 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.870 14.959 -3.790 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.832 12.414 -5.031 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.029 13.470 -5.755 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.221 15.354 -5.458 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.094 14.029 -5.244 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.805 14.649 -7.678 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.056 14.595 -7.581 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.897 12.353 -7.931 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.454 13.269 -7.314 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.052 11.624 -7.555 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.179 10.249 -8.056 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.448 9.904 -7.978 1.00 0.00 H new ATOM 131 N ARG A 10 -5.952 13.608 -3.083 1.00 0.00 N ATOM 132 CA ARG A 10 -7.168 12.882 -2.756 1.00 0.00 C ATOM 133 C ARG A 10 -7.641 12.211 -4.030 1.00 0.00 C ATOM 134 O ARG A 10 -8.299 12.846 -4.852 1.00 0.00 O ATOM 135 CB ARG A 10 -8.170 13.882 -2.186 1.00 0.00 C ATOM 136 CG ARG A 10 -9.494 13.264 -1.711 1.00 0.00 C ATOM 137 CD ARG A 10 -9.929 14.076 -0.494 1.00 0.00 C ATOM 138 NE ARG A 10 -11.351 13.958 -0.158 1.00 0.00 N ATOM 139 CZ ARG A 10 -11.906 14.513 0.927 1.00 0.00 C ATOM 140 NH1 ARG A 10 -11.155 15.124 1.842 1.00 0.00 N ATOM 141 NH2 ARG A 10 -13.219 14.459 1.087 1.00 0.00 N ATOM 0 H ARG A 10 -6.099 14.611 -3.195 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.024 12.107 -2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.706 14.403 -1.348 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.387 14.632 -2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.248 13.306 -2.497 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.363 12.213 -1.452 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.339 13.761 0.366 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.697 15.126 -0.673 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.951 13.423 -0.786 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.143 15.174 1.721 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.592 15.542 2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.800 13.997 0.387 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.650 14.879 1.910 1.00 0.00 H new ATOM 155 N ARG A 11 -7.203 10.974 -4.242 1.00 0.00 N ATOM 156 CA ARG A 11 -7.391 10.224 -5.481 1.00 0.00 C ATOM 157 C ARG A 11 -7.791 8.781 -5.188 1.00 0.00 C ATOM 158 O ARG A 11 -7.881 7.992 -6.132 1.00 0.00 O ATOM 159 CB ARG A 11 -6.108 10.322 -6.341 1.00 0.00 C ATOM 160 CG ARG A 11 -6.142 11.478 -7.364 1.00 0.00 C ATOM 161 CD ARG A 11 -6.658 11.049 -8.749 1.00 0.00 C ATOM 162 NE ARG A 11 -5.663 10.214 -9.451 1.00 0.00 N ATOM 163 CZ ARG A 11 -5.208 10.349 -10.705 1.00 0.00 C ATOM 164 NH1 ARG A 11 -5.734 11.211 -11.567 1.00 0.00 N ATOM 165 NH2 ARG A 11 -4.188 9.594 -11.091 1.00 0.00 N ATOM 0 H ARG A 11 -6.691 10.448 -3.534 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.211 10.659 -6.052 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.248 10.453 -5.684 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.963 9.381 -6.872 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.776 12.276 -6.979 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.139 11.891 -7.469 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.590 10.494 -8.638 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.883 11.932 -9.347 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.273 9.438 -8.916 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.515 11.803 -11.284 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.357 11.281 -12.512 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.769 8.931 -10.439 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.822 9.677 -12.040 1.00 0.00 H new ATOM 179 N THR A 12 -8.050 8.411 -3.934 1.00 0.00 N ATOM 180 CA THR A 12 -8.368 7.038 -3.567 1.00 0.00 C ATOM 181 C THR A 12 -9.637 7.033 -2.717 1.00 0.00 C ATOM 182 O THR A 12 -9.773 7.801 -1.758 1.00 0.00 O ATOM 183 CB THR A 12 -7.155 6.384 -2.885 1.00 0.00 C ATOM 184 OG1 THR A 12 -6.000 6.526 -3.700 1.00 0.00 O ATOM 185 CG2 THR A 12 -7.424 4.908 -2.617 1.00 0.00 C ATOM 0 H THR A 12 -8.044 9.058 -3.146 1.00 0.00 H new ATOM 0 HA THR A 12 -8.576 6.432 -4.449 1.00 0.00 H new ATOM 0 HB THR A 12 -6.982 6.886 -1.933 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.233 6.108 -3.256 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.555 4.462 -2.134 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.292 4.809 -1.965 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.618 4.396 -3.560 1.00 0.00 H new ATOM 193 N ALA A 13 -10.586 6.176 -3.095 1.00 0.00 N ATOM 194 CA ALA A 13 -11.867 6.022 -2.430 1.00 0.00 C ATOM 195 C ALA A 13 -11.748 4.936 -1.357 1.00 0.00 C ATOM 196 O ALA A 13 -12.474 3.942 -1.407 1.00 0.00 O ATOM 197 CB ALA A 13 -12.942 5.715 -3.485 1.00 0.00 C ATOM 0 H ALA A 13 -10.475 5.555 -3.896 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.165 6.940 -1.923 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.909 5.597 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.995 6.536 -4.200 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.686 4.794 -4.008 1.00 0.00 H new ATOM 203 N PHE A 14 -10.824 5.115 -0.406 1.00 0.00 N ATOM 204 CA PHE A 14 -10.781 4.348 0.832 1.00 0.00 C ATOM 205 C PHE A 14 -10.622 5.292 2.014 1.00 0.00 C ATOM 206 O PHE A 14 -10.109 6.411 1.871 1.00 0.00 O ATOM 207 CB PHE A 14 -9.610 3.367 0.858 1.00 0.00 C ATOM 208 CG PHE A 14 -9.446 2.465 -0.342 1.00 0.00 C ATOM 209 CD1 PHE A 14 -10.520 1.713 -0.841 1.00 0.00 C ATOM 210 CD2 PHE A 14 -8.192 2.382 -0.962 1.00 0.00 C ATOM 211 CE1 PHE A 14 -10.329 0.867 -1.950 1.00 0.00 C ATOM 212 CE2 PHE A 14 -8.007 1.580 -2.093 1.00 0.00 C ATOM 213 CZ PHE A 14 -9.063 0.781 -2.560 1.00 0.00 C ATOM 0 H PHE A 14 -10.078 5.807 -0.481 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.714 3.788 0.894 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.691 3.940 0.980 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.714 2.739 1.743 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.492 1.783 -0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.360 2.943 -0.563 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.154 0.284 -2.333 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.056 1.575 -2.605 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.905 0.102 -3.385 1.00 0.00 H new ATOM 223 N THR A 15 -10.971 4.789 3.189 1.00 0.00 N ATOM 224 CA THR A 15 -11.056 5.536 4.431 1.00 0.00 C ATOM 225 C THR A 15 -9.904 5.148 5.355 1.00 0.00 C ATOM 226 O THR A 15 -9.244 4.126 5.159 1.00 0.00 O ATOM 227 CB THR A 15 -12.425 5.281 5.087 1.00 0.00 C ATOM 228 OG1 THR A 15 -12.455 3.953 5.562 1.00 0.00 O ATOM 229 CG2 THR A 15 -13.590 5.519 4.115 1.00 0.00 C ATOM 0 H THR A 15 -11.213 3.805 3.306 1.00 0.00 H new ATOM 0 HA THR A 15 -10.969 6.604 4.230 1.00 0.00 H new ATOM 0 HB THR A 15 -12.550 5.987 5.908 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.321 3.776 5.984 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.534 5.326 4.624 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.569 6.552 3.768 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.495 4.848 3.261 1.00 0.00 H new ATOM 237 N SER A 16 -9.669 5.947 6.389 1.00 0.00 N ATOM 238 CA SER A 16 -8.548 5.761 7.294 1.00 0.00 C ATOM 239 C SER A 16 -8.680 4.497 8.161 1.00 0.00 C ATOM 240 O SER A 16 -7.684 4.057 8.734 1.00 0.00 O ATOM 241 CB SER A 16 -8.406 7.014 8.161 1.00 0.00 C ATOM 242 OG SER A 16 -8.937 8.183 7.546 1.00 0.00 O ATOM 0 H SER A 16 -10.257 6.747 6.622 1.00 0.00 H new ATOM 0 HA SER A 16 -7.648 5.614 6.697 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.912 6.849 9.112 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.352 7.176 8.385 1.00 0.00 H new ATOM 0 HG SER A 16 -9.878 8.287 7.800 1.00 0.00 H new ATOM 248 N GLU A 17 -9.883 3.918 8.255 1.00 0.00 N ATOM 249 CA GLU A 17 -10.136 2.627 8.884 1.00 0.00 C ATOM 250 C GLU A 17 -9.901 1.494 7.882 1.00 0.00 C ATOM 251 O GLU A 17 -9.272 0.493 8.223 1.00 0.00 O ATOM 252 CB GLU A 17 -11.582 2.577 9.412 1.00 0.00 C ATOM 253 CG GLU A 17 -11.616 2.632 10.946 1.00 0.00 C ATOM 254 CD GLU A 17 -13.042 2.555 11.499 1.00 0.00 C ATOM 255 OE1 GLU A 17 -13.875 1.808 10.940 1.00 0.00 O ATOM 256 OE2 GLU A 17 -13.349 3.253 12.497 1.00 0.00 O ATOM 0 H GLU A 17 -10.728 4.352 7.883 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.448 2.500 9.720 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.150 3.412 9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.066 1.663 9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.027 1.809 11.350 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.147 3.556 11.285 1.00 0.00 H new ATOM 263 N GLN A 18 -10.379 1.637 6.643 1.00 0.00 N ATOM 264 CA GLN A 18 -10.238 0.608 5.618 1.00 0.00 C ATOM 265 C GLN A 18 -8.771 0.407 5.227 1.00 0.00 C ATOM 266 O GLN A 18 -8.385 -0.673 4.777 1.00 0.00 O ATOM 267 CB GLN A 18 -11.049 1.025 4.386 1.00 0.00 C ATOM 268 CG GLN A 18 -12.563 0.903 4.588 1.00 0.00 C ATOM 269 CD GLN A 18 -13.337 1.636 3.498 1.00 0.00 C ATOM 270 OE1 GLN A 18 -14.268 2.380 3.772 1.00 0.00 O ATOM 271 NE2 GLN A 18 -13.021 1.410 2.232 1.00 0.00 N ATOM 0 H GLN A 18 -10.874 2.470 6.326 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.609 -0.336 6.016 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.805 2.056 4.131 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.752 0.408 3.538 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.846 -0.150 4.591 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.834 1.309 5.563 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.244 0.789 2.003 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.554 1.856 1.486 1.00 0.00 H new ATOM 280 N LEU A 19 -7.952 1.455 5.324 1.00 0.00 N ATOM 281 CA LEU A 19 -6.529 1.408 5.003 1.00 0.00 C ATOM 282 C LEU A 19 -5.714 0.776 6.128 1.00 0.00 C ATOM 283 O LEU A 19 -4.570 0.405 5.878 1.00 0.00 O ATOM 284 CB LEU A 19 -6.011 2.836 4.762 1.00 0.00 C ATOM 285 CG LEU A 19 -6.608 3.498 3.507 1.00 0.00 C ATOM 286 CD1 LEU A 19 -6.379 5.010 3.548 1.00 0.00 C ATOM 287 CD2 LEU A 19 -6.006 2.933 2.220 1.00 0.00 C ATOM 0 H LEU A 19 -8.266 2.375 5.633 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.412 0.797 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.242 3.450 5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.925 2.810 4.669 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.676 3.281 3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.806 5.467 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.859 5.427 4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.309 5.215 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.456 3.429 1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.930 3.105 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.203 1.862 2.166 1.00 0.00 H new ATOM 299 N LEU A 20 -6.259 0.671 7.343 1.00 0.00 N ATOM 300 CA LEU A 20 -5.475 0.385 8.534 1.00 0.00 C ATOM 301 C LEU A 20 -4.904 -1.025 8.438 1.00 0.00 C ATOM 302 O LEU A 20 -3.710 -1.236 8.643 1.00 0.00 O ATOM 303 CB LEU A 20 -6.376 0.568 9.769 1.00 0.00 C ATOM 304 CG LEU A 20 -5.700 1.365 10.886 1.00 0.00 C ATOM 305 CD1 LEU A 20 -6.749 1.682 11.951 1.00 0.00 C ATOM 306 CD2 LEU A 20 -4.524 0.619 11.520 1.00 0.00 C ATOM 0 H LEU A 20 -7.257 0.783 7.522 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.632 1.070 8.624 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.293 1.076 9.471 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.663 -0.412 10.151 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.290 2.277 10.452 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.288 2.251 12.758 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.553 2.269 11.507 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.156 0.752 12.349 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.084 1.234 12.306 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.877 -0.319 11.948 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.772 0.411 10.759 1.00 0.00 H new ATOM 318 N GLU A 21 -5.770 -1.961 8.056 1.00 0.00 N ATOM 319 CA GLU A 21 -5.499 -3.377 7.880 1.00 0.00 C ATOM 320 C GLU A 21 -4.531 -3.599 6.710 1.00 0.00 C ATOM 321 O GLU A 21 -3.581 -4.373 6.812 1.00 0.00 O ATOM 322 CB GLU A 21 -6.842 -4.082 7.622 1.00 0.00 C ATOM 323 CG GLU A 21 -7.861 -3.882 8.758 1.00 0.00 C ATOM 324 CD GLU A 21 -7.393 -4.555 10.053 1.00 0.00 C ATOM 325 OE1 GLU A 21 -7.601 -5.782 10.185 1.00 0.00 O ATOM 326 OE2 GLU A 21 -6.800 -3.867 10.915 1.00 0.00 O ATOM 0 H GLU A 21 -6.742 -1.730 7.849 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.026 -3.787 8.772 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.268 -3.708 6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.664 -5.149 7.486 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.009 -2.816 8.933 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.826 -4.293 8.460 1.00 0.00 H new ATOM 333 N LEU A 22 -4.744 -2.882 5.600 1.00 0.00 N ATOM 334 CA LEU A 22 -3.898 -2.928 4.406 1.00 0.00 C ATOM 335 C LEU A 22 -2.469 -2.527 4.747 1.00 0.00 C ATOM 336 O LEU A 22 -1.516 -3.158 4.288 1.00 0.00 O ATOM 337 CB LEU A 22 -4.463 -1.974 3.334 1.00 0.00 C ATOM 338 CG LEU A 22 -5.165 -2.717 2.189 1.00 0.00 C ATOM 339 CD1 LEU A 22 -6.162 -1.772 1.519 1.00 0.00 C ATOM 340 CD2 LEU A 22 -4.218 -3.278 1.128 1.00 0.00 C ATOM 0 H LEU A 22 -5.530 -2.238 5.507 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.891 -3.948 4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.168 -1.286 3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.652 -1.371 2.927 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.661 -3.576 2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.665 -2.292 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.900 -1.444 2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.632 -0.905 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.796 -3.787 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.652 -2.463 0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.530 -3.985 1.592 1.00 0.00 H new ATOM 352 N GLU A 23 -2.333 -1.453 5.523 1.00 0.00 N ATOM 353 CA GLU A 23 -1.042 -0.922 5.942 1.00 0.00 C ATOM 354 C GLU A 23 -0.391 -1.793 7.010 1.00 0.00 C ATOM 355 O GLU A 23 0.839 -1.877 7.047 1.00 0.00 O ATOM 356 CB GLU A 23 -1.179 0.518 6.459 1.00 0.00 C ATOM 357 CG GLU A 23 -1.343 1.478 5.272 1.00 0.00 C ATOM 358 CD GLU A 23 -1.118 2.949 5.622 1.00 0.00 C ATOM 359 OE1 GLU A 23 0.050 3.411 5.627 1.00 0.00 O ATOM 360 OE2 GLU A 23 -2.117 3.699 5.696 1.00 0.00 O ATOM 0 H GLU A 23 -3.127 -0.923 5.881 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.399 -0.924 5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.039 0.596 7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.299 0.791 7.042 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.643 1.191 4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.346 1.363 4.862 1.00 0.00 H new ATOM 367 N LYS A 24 -1.197 -2.412 7.873 1.00 0.00 N ATOM 368 CA LYS A 24 -0.751 -3.313 8.928 1.00 0.00 C ATOM 369 C LYS A 24 -0.123 -4.544 8.295 1.00 0.00 C ATOM 370 O LYS A 24 1.072 -4.780 8.440 1.00 0.00 O ATOM 371 CB LYS A 24 -1.947 -3.672 9.832 1.00 0.00 C ATOM 372 CG LYS A 24 -1.611 -4.661 10.955 1.00 0.00 C ATOM 373 CD LYS A 24 -2.728 -4.644 12.001 1.00 0.00 C ATOM 374 CE LYS A 24 -2.479 -5.692 13.088 1.00 0.00 C ATOM 375 NZ LYS A 24 -3.325 -5.428 14.267 1.00 0.00 N ATOM 0 H LYS A 24 -2.210 -2.294 7.854 1.00 0.00 H new ATOM 0 HA LYS A 24 0.003 -2.834 9.553 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.341 -2.757 10.275 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.740 -4.095 9.215 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.495 -5.665 10.547 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.661 -4.393 11.418 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.792 -3.654 12.453 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.686 -4.837 11.518 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.691 -6.687 12.697 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.428 -5.681 13.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.142 -6.149 14.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.103 -4.487 14.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.327 -5.462 13.990 1.00 0.00 H new ATOM 389 N GLU A 25 -0.903 -5.286 7.515 1.00 0.00 N ATOM 390 CA GLU A 25 -0.435 -6.440 6.769 1.00 0.00 C ATOM 391 C GLU A 25 0.641 -6.067 5.765 1.00 0.00 C ATOM 392 O GLU A 25 1.314 -6.975 5.295 1.00 0.00 O ATOM 393 CB GLU A 25 -1.621 -7.127 6.091 1.00 0.00 C ATOM 394 CG GLU A 25 -2.460 -7.939 7.080 1.00 0.00 C ATOM 395 CD GLU A 25 -1.675 -9.170 7.539 1.00 0.00 C ATOM 396 OE1 GLU A 25 -1.782 -10.223 6.873 1.00 0.00 O ATOM 397 OE2 GLU A 25 -0.922 -9.063 8.536 1.00 0.00 O ATOM 0 H GLU A 25 -1.896 -5.095 7.384 1.00 0.00 H new ATOM 0 HA GLU A 25 0.025 -7.139 7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.250 -6.375 5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.256 -7.784 5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.723 -7.323 7.940 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.395 -8.247 6.611 1.00 0.00 H new ATOM 404 N PHE A 26 0.877 -4.801 5.410 1.00 0.00 N ATOM 405 CA PHE A 26 2.044 -4.499 4.584 1.00 0.00 C ATOM 406 C PHE A 26 3.362 -4.838 5.293 1.00 0.00 C ATOM 407 O PHE A 26 4.372 -5.086 4.632 1.00 0.00 O ATOM 408 CB PHE A 26 2.018 -3.071 4.043 1.00 0.00 C ATOM 409 CG PHE A 26 2.210 -3.095 2.544 1.00 0.00 C ATOM 410 CD1 PHE A 26 1.134 -3.469 1.718 1.00 0.00 C ATOM 411 CD2 PHE A 26 3.484 -2.892 1.985 1.00 0.00 C ATOM 412 CE1 PHE A 26 1.339 -3.643 0.340 1.00 0.00 C ATOM 413 CE2 PHE A 26 3.660 -2.992 0.597 1.00 0.00 C ATOM 414 CZ PHE A 26 2.592 -3.374 -0.225 1.00 0.00 C ATOM 0 H PHE A 26 0.301 -4.000 5.669 1.00 0.00 H new ATOM 0 HA PHE A 26 1.988 -5.154 3.715 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.070 -2.594 4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.804 -2.479 4.511 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.153 -3.622 2.143 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.324 -2.660 2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.528 -3.985 -0.286 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.623 -2.774 0.160 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.734 -3.461 -1.292 1.00 0.00 H new ATOM 424 N HIS A 27 3.345 -4.929 6.623 1.00 0.00 N ATOM 425 CA HIS A 27 4.442 -5.446 7.421 1.00 0.00 C ATOM 426 C HIS A 27 4.649 -6.945 7.155 1.00 0.00 C ATOM 427 O HIS A 27 5.790 -7.413 7.121 1.00 0.00 O ATOM 428 CB HIS A 27 4.121 -5.153 8.892 1.00 0.00 C ATOM 429 CG HIS A 27 5.280 -5.185 9.855 1.00 0.00 C ATOM 430 ND1 HIS A 27 6.624 -5.089 9.567 1.00 0.00 N ATOM 431 CD2 HIS A 27 5.154 -5.234 11.214 1.00 0.00 C ATOM 432 CE1 HIS A 27 7.292 -5.092 10.733 1.00 0.00 C ATOM 433 NE2 HIS A 27 6.439 -5.185 11.768 1.00 0.00 N ATOM 0 H HIS A 27 2.545 -4.636 7.183 1.00 0.00 H new ATOM 0 HA HIS A 27 5.381 -4.961 7.154 1.00 0.00 H new ATOM 0 HB2 HIS A 27 3.657 -4.168 8.950 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.378 -5.876 9.229 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.227 -5.299 11.764 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.366 -5.028 10.826 1.00 0.00 H new ATOM 0 HE2 HIS A 27 6.680 -5.214 12.759 1.00 0.00 H new ATOM 441 N CYS A 28 3.570 -7.699 6.935 1.00 0.00 N ATOM 442 CA CYS A 28 3.613 -9.150 6.816 1.00 0.00 C ATOM 443 C CYS A 28 3.982 -9.592 5.397 1.00 0.00 C ATOM 444 O CYS A 28 4.589 -10.651 5.226 1.00 0.00 O ATOM 445 CB CYS A 28 2.235 -9.707 7.210 1.00 0.00 C ATOM 446 SG CYS A 28 2.374 -11.365 7.927 1.00 0.00 S ATOM 0 H CYS A 28 2.632 -7.310 6.834 1.00 0.00 H new ATOM 0 HA CYS A 28 4.385 -9.539 7.480 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.761 -9.037 7.928 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.590 -9.741 6.332 1.00 0.00 H new ATOM 0 HG CYS A 28 1.192 -11.799 8.248 1.00 0.00 H new ATOM 452 N LYS A 29 3.580 -8.831 4.377 1.00 0.00 N ATOM 453 CA LYS A 29 3.506 -9.266 2.978 1.00 0.00 C ATOM 454 C LYS A 29 3.341 -8.040 2.080 1.00 0.00 C ATOM 455 O LYS A 29 2.786 -7.036 2.524 1.00 0.00 O ATOM 456 CB LYS A 29 2.304 -10.224 2.816 1.00 0.00 C ATOM 457 CG LYS A 29 0.987 -9.664 3.405 1.00 0.00 C ATOM 458 CD LYS A 29 -0.120 -9.424 2.379 1.00 0.00 C ATOM 459 CE LYS A 29 -0.127 -7.968 1.895 1.00 0.00 C ATOM 460 NZ LYS A 29 -0.485 -7.020 2.967 1.00 0.00 N ATOM 0 H LYS A 29 3.287 -7.862 4.505 1.00 0.00 H new ATOM 0 HA LYS A 29 4.419 -9.789 2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.158 -10.436 1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.536 -11.172 3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 29 0.619 -10.358 4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.203 -8.724 3.913 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.019 -10.091 1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.087 -9.667 2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.858 -7.714 1.503 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.834 -7.865 1.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.394 -6.046 2.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.466 -7.189 3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.152 -7.156 3.777 1.00 0.00 H new ATOM 474 N LYS A 30 3.736 -8.113 0.804 1.00 0.00 N ATOM 475 CA LYS A 30 4.021 -6.913 0.002 1.00 0.00 C ATOM 476 C LYS A 30 3.150 -6.743 -1.251 1.00 0.00 C ATOM 477 O LYS A 30 3.388 -5.853 -2.069 1.00 0.00 O ATOM 478 CB LYS A 30 5.525 -6.939 -0.315 1.00 0.00 C ATOM 479 CG LYS A 30 6.115 -5.544 -0.552 1.00 0.00 C ATOM 480 CD LYS A 30 6.414 -5.229 -2.028 1.00 0.00 C ATOM 481 CE LYS A 30 7.912 -5.025 -2.265 1.00 0.00 C ATOM 482 NZ LYS A 30 8.728 -6.184 -1.838 1.00 0.00 N ATOM 0 H LYS A 30 3.866 -8.991 0.302 1.00 0.00 H new ATOM 0 HA LYS A 30 3.755 -6.031 0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.056 -7.416 0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.693 -7.553 -1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.421 -4.798 -0.166 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.037 -5.449 0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.053 -6.044 -2.656 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.872 -4.332 -2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.084 -4.837 -3.325 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.242 -4.137 -1.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.633 -6.178 -2.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.908 -6.124 -0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.217 -7.065 -2.049 1.00 0.00 H new ATOM 496 N TYR A 31 2.154 -7.598 -1.436 1.00 0.00 N ATOM 497 CA TYR A 31 1.273 -7.695 -2.602 1.00 0.00 C ATOM 498 C TYR A 31 -0.160 -7.790 -2.071 1.00 0.00 C ATOM 499 O TYR A 31 -0.412 -7.375 -0.941 1.00 0.00 O ATOM 500 CB TYR A 31 1.717 -8.873 -3.489 1.00 0.00 C ATOM 501 CG TYR A 31 2.102 -10.112 -2.705 1.00 0.00 C ATOM 502 CD1 TYR A 31 1.125 -11.038 -2.292 1.00 0.00 C ATOM 503 CD2 TYR A 31 3.443 -10.281 -2.314 1.00 0.00 C ATOM 504 CE1 TYR A 31 1.487 -12.135 -1.490 1.00 0.00 C ATOM 505 CE2 TYR A 31 3.807 -11.361 -1.500 1.00 0.00 C ATOM 506 CZ TYR A 31 2.834 -12.299 -1.093 1.00 0.00 C ATOM 507 OH TYR A 31 3.210 -13.334 -0.298 1.00 0.00 O ATOM 0 H TYR A 31 1.920 -8.293 -0.728 1.00 0.00 H new ATOM 0 HA TYR A 31 1.326 -6.822 -3.253 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.909 -9.124 -4.176 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.566 -8.560 -4.097 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.096 -10.906 -2.592 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.193 -9.577 -2.642 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.739 -12.849 -1.179 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.833 -11.476 -1.183 1.00 0.00 H new ATOM 0 HH TYR A 31 4.174 -13.284 -0.131 1.00 0.00 H new ATOM 517 N LEU A 32 -1.141 -8.207 -2.871 1.00 0.00 N ATOM 518 CA LEU A 32 -2.442 -8.667 -2.386 1.00 0.00 C ATOM 519 C LEU A 32 -2.966 -9.621 -3.452 1.00 0.00 C ATOM 520 O LEU A 32 -3.475 -9.171 -4.480 1.00 0.00 O ATOM 521 CB LEU A 32 -3.418 -7.499 -2.162 1.00 0.00 C ATOM 522 CG LEU A 32 -4.156 -7.511 -0.824 1.00 0.00 C ATOM 523 CD1 LEU A 32 -3.242 -7.260 0.366 1.00 0.00 C ATOM 524 CD2 LEU A 32 -5.249 -6.443 -0.832 1.00 0.00 C ATOM 0 H LEU A 32 -1.053 -8.235 -3.887 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.345 -9.157 -1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.864 -6.564 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.155 -7.504 -2.965 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.578 -8.510 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.827 -7.281 1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.476 -8.034 0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.767 -6.285 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.774 -6.453 0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.799 -5.463 -0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.955 -6.651 -1.636 1.00 0.00 H new ATOM 536 N SER A 33 -2.727 -10.910 -3.263 1.00 0.00 N ATOM 537 CA SER A 33 -3.158 -11.980 -4.154 1.00 0.00 C ATOM 538 C SER A 33 -3.247 -13.299 -3.383 1.00 0.00 C ATOM 539 O SER A 33 -2.925 -13.346 -2.198 1.00 0.00 O ATOM 540 CB SER A 33 -2.213 -12.108 -5.369 1.00 0.00 C ATOM 541 OG SER A 33 -2.556 -11.167 -6.369 1.00 0.00 O ATOM 0 H SER A 33 -2.208 -11.254 -2.455 1.00 0.00 H new ATOM 0 HA SER A 33 -4.148 -11.734 -4.537 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.182 -11.951 -5.053 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.271 -13.117 -5.777 1.00 0.00 H new ATOM 0 HG SER A 33 -2.929 -10.364 -5.949 1.00 0.00 H new ATOM 547 N LEU A 34 -3.655 -14.361 -4.079 1.00 0.00 N ATOM 548 CA LEU A 34 -3.925 -15.713 -3.623 1.00 0.00 C ATOM 549 C LEU A 34 -4.993 -15.731 -2.546 1.00 0.00 C ATOM 550 O LEU A 34 -6.171 -15.805 -2.886 1.00 0.00 O ATOM 551 CB LEU A 34 -2.635 -16.445 -3.248 1.00 0.00 C ATOM 552 CG LEU A 34 -1.709 -16.605 -4.470 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.559 -15.591 -4.417 1.00 0.00 C ATOM 554 CD2 LEU A 34 -1.165 -18.026 -4.535 1.00 0.00 C ATOM 0 H LEU A 34 -3.820 -14.279 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.345 -16.283 -4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.115 -15.893 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.876 -17.427 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.290 -16.412 -5.371 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.082 -15.722 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.966 -14.580 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.025 -15.750 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.512 -18.126 -5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.599 -18.241 -3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.993 -18.729 -4.621 1.00 0.00 H new ATOM 566 N THR A 35 -4.633 -15.553 -1.281 1.00 0.00 N ATOM 567 CA THR A 35 -5.610 -15.504 -0.205 1.00 0.00 C ATOM 568 C THR A 35 -5.931 -14.036 0.123 1.00 0.00 C ATOM 569 O THR A 35 -6.906 -13.777 0.823 1.00 0.00 O ATOM 570 CB THR A 35 -5.032 -16.308 0.979 1.00 0.00 C ATOM 571 OG1 THR A 35 -6.025 -16.846 1.838 1.00 0.00 O ATOM 572 CG2 THR A 35 -4.047 -15.483 1.805 1.00 0.00 C ATOM 0 H THR A 35 -3.666 -15.440 -0.976 1.00 0.00 H new ATOM 0 HA THR A 35 -6.562 -15.959 -0.478 1.00 0.00 H new ATOM 0 HB THR A 35 -4.506 -17.143 0.515 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.595 -17.344 2.564 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.665 -16.088 2.627 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.218 -15.166 1.172 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.554 -14.605 2.206 1.00 0.00 H new ATOM 580 N GLU A 36 -5.116 -13.077 -0.337 1.00 0.00 N ATOM 581 CA GLU A 36 -5.020 -11.781 0.326 1.00 0.00 C ATOM 582 C GLU A 36 -5.874 -10.716 -0.327 1.00 0.00 C ATOM 583 O GLU A 36 -6.406 -9.869 0.392 1.00 0.00 O ATOM 584 CB GLU A 36 -3.570 -11.290 0.419 1.00 0.00 C ATOM 585 CG GLU A 36 -2.761 -11.976 1.524 1.00 0.00 C ATOM 586 CD GLU A 36 -3.359 -11.704 2.907 1.00 0.00 C ATOM 587 OE1 GLU A 36 -3.376 -10.526 3.318 1.00 0.00 O ATOM 588 OE2 GLU A 36 -3.878 -12.629 3.566 1.00 0.00 O ATOM 0 H GLU A 36 -4.521 -13.178 -1.159 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.404 -11.946 1.332 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.076 -11.457 -0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.570 -10.214 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.734 -13.051 1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.731 -11.622 1.496 1.00 0.00 H new ATOM 595 N ARG A 37 -6.017 -10.712 -1.662 1.00 0.00 N ATOM 596 CA ARG A 37 -6.865 -9.695 -2.279 1.00 0.00 C ATOM 597 C ARG A 37 -8.258 -9.833 -1.697 1.00 0.00 C ATOM 598 O ARG A 37 -8.816 -8.846 -1.231 1.00 0.00 O ATOM 599 CB ARG A 37 -6.873 -9.781 -3.816 1.00 0.00 C ATOM 600 CG ARG A 37 -7.677 -8.636 -4.460 1.00 0.00 C ATOM 601 CD ARG A 37 -7.522 -8.591 -5.988 1.00 0.00 C ATOM 602 NE ARG A 37 -7.920 -9.854 -6.631 1.00 0.00 N ATOM 603 CZ ARG A 37 -7.485 -10.339 -7.800 1.00 0.00 C ATOM 604 NH1 ARG A 37 -6.758 -9.596 -8.636 1.00 0.00 N ATOM 605 NH2 ARG A 37 -7.789 -11.593 -8.111 1.00 0.00 N ATOM 0 H ARG A 37 -5.577 -11.371 -2.305 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.462 -8.707 -2.054 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.848 -9.754 -4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.297 -10.737 -4.122 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.731 -8.751 -4.209 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.351 -7.686 -4.037 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.127 -7.777 -6.388 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.484 -8.370 -6.239 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.603 -10.422 -6.130 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.522 -8.635 -8.390 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.438 -9.989 -9.521 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.340 -12.159 -7.466 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.472 -11.991 -8.995 1.00 0.00 H new ATOM 619 N SER A 38 -8.774 -11.054 -1.668 1.00 0.00 N ATOM 620 CA SER A 38 -10.088 -11.375 -1.149 1.00 0.00 C ATOM 621 C SER A 38 -10.144 -11.349 0.386 1.00 0.00 C ATOM 622 O SER A 38 -11.198 -11.656 0.940 1.00 0.00 O ATOM 623 CB SER A 38 -10.496 -12.722 -1.757 1.00 0.00 C ATOM 624 OG SER A 38 -9.403 -13.626 -1.796 1.00 0.00 O ATOM 0 H SER A 38 -8.271 -11.870 -2.017 1.00 0.00 H new ATOM 0 HA SER A 38 -10.809 -10.611 -1.441 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.308 -13.155 -1.173 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.877 -12.567 -2.766 1.00 0.00 H new ATOM 0 HG SER A 38 -9.695 -14.476 -2.187 1.00 0.00 H new ATOM 630 N GLN A 39 -9.064 -10.987 1.098 1.00 0.00 N ATOM 631 CA GLN A 39 -9.177 -10.635 2.507 1.00 0.00 C ATOM 632 C GLN A 39 -9.723 -9.220 2.565 1.00 0.00 C ATOM 633 O GLN A 39 -10.935 -9.060 2.662 1.00 0.00 O ATOM 634 CB GLN A 39 -7.863 -10.820 3.281 1.00 0.00 C ATOM 635 CG GLN A 39 -7.570 -12.303 3.533 1.00 0.00 C ATOM 636 CD GLN A 39 -7.863 -12.723 4.968 1.00 0.00 C ATOM 637 OE1 GLN A 39 -9.021 -12.813 5.362 1.00 0.00 O ATOM 638 NE2 GLN A 39 -6.857 -13.005 5.777 1.00 0.00 N ATOM 0 H GLN A 39 -8.118 -10.933 0.720 1.00 0.00 H new ATOM 0 HA GLN A 39 -9.861 -11.315 3.014 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.042 -10.375 2.719 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.921 -10.292 4.233 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.168 -12.908 2.852 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.524 -12.507 3.305 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.897 -12.928 5.442 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.041 -13.300 6.736 1.00 0.00 H new ATOM 647 N ILE A 40 -8.868 -8.198 2.458 1.00 0.00 N ATOM 648 CA ILE A 40 -9.290 -6.820 2.687 1.00 0.00 C ATOM 649 C ILE A 40 -10.411 -6.442 1.698 1.00 0.00 C ATOM 650 O ILE A 40 -11.364 -5.771 2.108 1.00 0.00 O ATOM 651 CB ILE A 40 -8.093 -5.832 2.683 1.00 0.00 C ATOM 652 CG1 ILE A 40 -7.092 -6.022 3.851 1.00 0.00 C ATOM 653 CG2 ILE A 40 -8.611 -4.388 2.807 1.00 0.00 C ATOM 654 CD1 ILE A 40 -6.139 -7.201 3.655 1.00 0.00 C ATOM 0 H ILE A 40 -7.883 -8.302 2.215 1.00 0.00 H new ATOM 0 HA ILE A 40 -9.708 -6.742 3.691 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.575 -6.033 1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.508 -5.109 3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.650 -6.166 4.776 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.768 -3.697 2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -9.267 -4.163 1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.166 -4.279 3.739 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.468 -7.273 4.511 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.714 -8.123 3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -5.555 -7.049 2.748 1.00 0.00 H new ATOM 666 N ALA A 41 -10.352 -6.897 0.434 1.00 0.00 N ATOM 667 CA ALA A 41 -11.378 -6.560 -0.545 1.00 0.00 C ATOM 668 C ALA A 41 -12.755 -7.077 -0.140 1.00 0.00 C ATOM 669 O ALA A 41 -13.741 -6.486 -0.587 1.00 0.00 O ATOM 670 CB ALA A 41 -11.040 -7.041 -1.960 1.00 0.00 C ATOM 0 H ALA A 41 -9.607 -7.494 0.077 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.405 -5.470 -0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.843 -6.759 -2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.108 -6.581 -2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.929 -8.125 -1.959 1.00 0.00 H new ATOM 676 N HIS A 42 -12.857 -8.124 0.689 1.00 0.00 N ATOM 677 CA HIS A 42 -14.139 -8.648 1.149 1.00 0.00 C ATOM 678 C HIS A 42 -14.309 -8.425 2.658 1.00 0.00 C ATOM 679 O HIS A 42 -15.244 -8.972 3.239 1.00 0.00 O ATOM 680 CB HIS A 42 -14.282 -10.129 0.752 1.00 0.00 C ATOM 681 CG HIS A 42 -14.077 -10.443 -0.717 1.00 0.00 C ATOM 682 ND1 HIS A 42 -13.731 -11.673 -1.230 1.00 0.00 N ATOM 683 CD2 HIS A 42 -14.243 -9.597 -1.783 1.00 0.00 C ATOM 684 CE1 HIS A 42 -13.682 -11.564 -2.567 1.00 0.00 C ATOM 685 NE2 HIS A 42 -13.966 -10.310 -2.951 1.00 0.00 N ATOM 0 H HIS A 42 -12.050 -8.628 1.057 1.00 0.00 H new ATOM 0 HA HIS A 42 -14.945 -8.102 0.659 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.566 -10.711 1.332 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -15.277 -10.468 1.041 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -14.537 -8.559 -1.729 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -13.446 -12.374 -3.241 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -13.977 -9.950 -3.905 1.00 0.00 H new ATOM 693 N ALA A 43 -13.446 -7.633 3.303 1.00 0.00 N ATOM 694 CA ALA A 43 -13.448 -7.454 4.737 1.00 0.00 C ATOM 695 C ALA A 43 -14.215 -6.194 5.074 1.00 0.00 C ATOM 696 O ALA A 43 -15.006 -6.227 6.017 1.00 0.00 O ATOM 697 CB ALA A 43 -12.018 -7.340 5.269 1.00 0.00 C ATOM 0 H ALA A 43 -12.721 -7.096 2.826 1.00 0.00 H new ATOM 0 HA ALA A 43 -13.922 -8.318 5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.042 -7.206 6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.467 -8.249 5.028 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.525 -6.484 4.808 1.00 0.00 H new ATOM 703 N LEU A 44 -13.952 -5.080 4.369 1.00 0.00 N ATOM 704 CA LEU A 44 -14.456 -3.803 4.853 1.00 0.00 C ATOM 705 C LEU A 44 -15.426 -3.173 3.862 1.00 0.00 C ATOM 706 O LEU A 44 -16.608 -3.502 3.904 1.00 0.00 O ATOM 707 CB LEU A 44 -13.280 -2.883 5.235 1.00 0.00 C ATOM 708 CG LEU A 44 -12.360 -3.459 6.340 1.00 0.00 C ATOM 709 CD1 LEU A 44 -10.927 -3.590 5.823 1.00 0.00 C ATOM 710 CD2 LEU A 44 -12.394 -2.590 7.593 1.00 0.00 C ATOM 0 H LEU A 44 -13.417 -5.044 3.501 1.00 0.00 H new ATOM 0 HA LEU A 44 -15.038 -3.967 5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.682 -2.687 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.676 -1.925 5.570 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.731 -4.449 6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.292 -3.996 6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.910 -4.259 4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.556 -2.609 5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.739 -3.019 8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.054 -1.584 7.347 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.413 -2.545 7.977 1.00 0.00 H new ATOM 722 N LYS A 45 -14.950 -2.372 2.903 1.00 0.00 N ATOM 723 CA LYS A 45 -15.750 -1.565 1.973 1.00 0.00 C ATOM 724 C LYS A 45 -14.938 -1.215 0.723 1.00 0.00 C ATOM 725 O LYS A 45 -14.930 -0.068 0.254 1.00 0.00 O ATOM 726 CB LYS A 45 -16.252 -0.283 2.657 1.00 0.00 C ATOM 727 CG LYS A 45 -17.122 -0.455 3.902 1.00 0.00 C ATOM 728 CD LYS A 45 -16.345 -0.280 5.220 1.00 0.00 C ATOM 729 CE LYS A 45 -16.696 1.072 5.850 1.00 0.00 C ATOM 730 NZ LYS A 45 -17.970 0.979 6.589 1.00 0.00 N ATOM 0 H LYS A 45 -13.948 -2.263 2.746 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.614 -2.157 1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.384 0.317 2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.819 0.292 1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.936 0.269 3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.576 -1.446 3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.591 -1.088 5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.273 -0.337 5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.899 1.384 6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.773 1.833 5.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.195 1.903 7.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.731 0.702 5.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.883 0.267 7.342 1.00 0.00 H new ATOM 744 N LEU A 46 -14.152 -2.173 0.246 1.00 0.00 N ATOM 745 CA LEU A 46 -13.273 -2.015 -0.902 1.00 0.00 C ATOM 746 C LEU A 46 -13.868 -2.769 -2.093 1.00 0.00 C ATOM 747 O LEU A 46 -14.887 -3.449 -1.974 1.00 0.00 O ATOM 748 CB LEU A 46 -11.863 -2.524 -0.566 1.00 0.00 C ATOM 749 CG LEU A 46 -11.063 -1.683 0.445 1.00 0.00 C ATOM 750 CD1 LEU A 46 -11.418 -2.034 1.893 1.00 0.00 C ATOM 751 CD2 LEU A 46 -9.579 -1.933 0.187 1.00 0.00 C ATOM 0 H LEU A 46 -14.109 -3.105 0.659 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.188 -0.960 -1.162 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.948 -3.539 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.290 -2.584 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.310 -0.630 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.830 -1.416 2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.479 -1.850 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.198 -3.086 2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.984 -1.349 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.360 -2.993 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.332 -1.636 -0.832 1.00 0.00 H new ATOM 763 N SER A 47 -13.211 -2.672 -3.245 1.00 0.00 N ATOM 764 CA SER A 47 -13.593 -3.325 -4.486 1.00 0.00 C ATOM 765 C SER A 47 -12.310 -3.769 -5.176 1.00 0.00 C ATOM 766 O SER A 47 -11.386 -2.960 -5.271 1.00 0.00 O ATOM 767 CB SER A 47 -14.329 -2.318 -5.365 1.00 0.00 C ATOM 768 OG SER A 47 -15.496 -1.810 -4.746 1.00 0.00 O ATOM 0 H SER A 47 -12.363 -2.112 -3.340 1.00 0.00 H new ATOM 0 HA SER A 47 -14.244 -4.180 -4.303 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.659 -1.492 -5.604 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.599 -2.793 -6.308 1.00 0.00 H new ATOM 0 HG SER A 47 -15.932 -1.169 -5.346 1.00 0.00 H new ATOM 774 N GLU A 48 -12.233 -5.010 -5.664 1.00 0.00 N ATOM 775 CA GLU A 48 -11.007 -5.592 -6.227 1.00 0.00 C ATOM 776 C GLU A 48 -10.381 -4.702 -7.312 1.00 0.00 C ATOM 777 O GLU A 48 -9.155 -4.610 -7.404 1.00 0.00 O ATOM 778 CB GLU A 48 -11.297 -6.965 -6.846 1.00 0.00 C ATOM 779 CG GLU A 48 -11.756 -8.068 -5.881 1.00 0.00 C ATOM 780 CD GLU A 48 -12.078 -9.326 -6.693 1.00 0.00 C ATOM 781 OE1 GLU A 48 -13.143 -9.360 -7.344 1.00 0.00 O ATOM 782 OE2 GLU A 48 -11.183 -10.189 -6.871 1.00 0.00 O ATOM 0 H GLU A 48 -13.029 -5.648 -5.680 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.304 -5.683 -5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.064 -6.840 -7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.395 -7.308 -7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.976 -8.279 -5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.635 -7.742 -5.324 1.00 0.00 H new ATOM 789 N VAL A 49 -11.210 -4.034 -8.123 1.00 0.00 N ATOM 790 CA VAL A 49 -10.750 -3.112 -9.156 1.00 0.00 C ATOM 791 C VAL A 49 -10.032 -1.922 -8.516 1.00 0.00 C ATOM 792 O VAL A 49 -8.932 -1.584 -8.937 1.00 0.00 O ATOM 793 CB VAL A 49 -11.930 -2.659 -10.042 1.00 0.00 C ATOM 794 CG1 VAL A 49 -11.440 -1.721 -11.153 1.00 0.00 C ATOM 795 CG2 VAL A 49 -12.640 -3.848 -10.702 1.00 0.00 C ATOM 0 H VAL A 49 -12.225 -4.122 -8.077 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.037 -3.625 -9.801 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.631 -2.143 -9.387 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.286 -1.412 -11.767 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -10.974 -0.842 -10.708 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -10.711 -2.242 -11.774 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -13.464 -3.485 -11.316 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.933 -4.392 -11.328 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -13.029 -4.513 -9.931 1.00 0.00 H new ATOM 805 N GLN A 50 -10.621 -1.293 -7.495 1.00 0.00 N ATOM 806 CA GLN A 50 -10.034 -0.140 -6.820 1.00 0.00 C ATOM 807 C GLN A 50 -8.696 -0.523 -6.178 1.00 0.00 C ATOM 808 O GLN A 50 -7.746 0.264 -6.201 1.00 0.00 O ATOM 809 CB GLN A 50 -11.018 0.411 -5.767 1.00 0.00 C ATOM 810 CG GLN A 50 -11.345 1.898 -5.952 1.00 0.00 C ATOM 811 CD GLN A 50 -10.148 2.838 -5.978 1.00 0.00 C ATOM 812 OE1 GLN A 50 -10.002 3.639 -6.898 1.00 0.00 O ATOM 813 NE2 GLN A 50 -9.300 2.824 -4.968 1.00 0.00 N ATOM 0 H GLN A 50 -11.524 -1.574 -7.114 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.842 0.644 -7.553 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.943 -0.164 -5.810 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.596 0.261 -4.773 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.897 2.017 -6.884 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.010 2.208 -5.146 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.425 2.157 -4.206 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -8.519 3.480 -4.949 1.00 0.00 H new ATOM 822 N VAL A 51 -8.635 -1.723 -5.599 1.00 0.00 N ATOM 823 CA VAL A 51 -7.447 -2.293 -4.976 1.00 0.00 C ATOM 824 C VAL A 51 -6.350 -2.488 -6.034 1.00 0.00 C ATOM 825 O VAL A 51 -5.170 -2.290 -5.748 1.00 0.00 O ATOM 826 CB VAL A 51 -7.854 -3.606 -4.268 1.00 0.00 C ATOM 827 CG1 VAL A 51 -6.673 -4.337 -3.618 1.00 0.00 C ATOM 828 CG2 VAL A 51 -8.916 -3.359 -3.181 1.00 0.00 C ATOM 0 H VAL A 51 -9.442 -2.344 -5.551 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.030 -1.624 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.259 -4.235 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.029 -5.249 -3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.938 -4.591 -4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.212 -3.691 -2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.177 -4.305 -2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.518 -2.674 -2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.806 -2.923 -3.634 1.00 0.00 H new ATOM 838 N LYS A 52 -6.716 -2.795 -7.284 1.00 0.00 N ATOM 839 CA LYS A 52 -5.773 -2.971 -8.385 1.00 0.00 C ATOM 840 C LYS A 52 -4.910 -1.715 -8.575 1.00 0.00 C ATOM 841 O LYS A 52 -3.687 -1.829 -8.678 1.00 0.00 O ATOM 842 CB LYS A 52 -6.557 -3.367 -9.650 1.00 0.00 C ATOM 843 CG LYS A 52 -5.764 -4.264 -10.608 1.00 0.00 C ATOM 844 CD LYS A 52 -6.657 -4.873 -11.701 1.00 0.00 C ATOM 845 CE LYS A 52 -7.419 -3.835 -12.531 1.00 0.00 C ATOM 846 NZ LYS A 52 -8.085 -4.461 -13.693 1.00 0.00 N ATOM 0 H LYS A 52 -7.689 -2.929 -7.559 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.073 -3.775 -8.159 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.470 -3.883 -9.354 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.859 -2.463 -10.178 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.968 -3.683 -11.073 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.286 -5.064 -10.043 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.039 -5.474 -12.368 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.374 -5.549 -11.235 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.162 -3.341 -11.906 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.729 -3.064 -12.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.593 -3.733 -14.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.372 -4.912 -14.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.760 -5.179 -13.361 1.00 0.00 H new ATOM 860 N ILE A 53 -5.509 -0.520 -8.534 1.00 0.00 N ATOM 861 CA ILE A 53 -4.767 0.734 -8.678 1.00 0.00 C ATOM 862 C ILE A 53 -3.964 1.028 -7.401 1.00 0.00 C ATOM 863 O ILE A 53 -2.969 1.761 -7.438 1.00 0.00 O ATOM 864 CB ILE A 53 -5.723 1.898 -9.026 1.00 0.00 C ATOM 865 CG1 ILE A 53 -6.628 1.591 -10.247 1.00 0.00 C ATOM 866 CG2 ILE A 53 -4.947 3.199 -9.298 1.00 0.00 C ATOM 867 CD1 ILE A 53 -8.096 1.490 -9.833 1.00 0.00 C ATOM 0 H ILE A 53 -6.513 -0.396 -8.401 1.00 0.00 H new ATOM 0 HA ILE A 53 -4.061 0.631 -9.502 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.361 2.023 -8.151 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.511 2.374 -10.996 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.313 0.657 -10.711 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.649 3.997 -9.540 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.376 3.474 -8.411 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.266 3.048 -10.136 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -8.707 1.274 -10.709 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.214 0.690 -9.102 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -8.415 2.434 -9.392 1.00 0.00 H new ATOM 879 N TRP A 54 -4.345 0.467 -6.252 1.00 0.00 N ATOM 880 CA TRP A 54 -3.547 0.602 -5.043 1.00 0.00 C ATOM 881 C TRP A 54 -2.185 -0.076 -5.233 1.00 0.00 C ATOM 882 O TRP A 54 -1.172 0.459 -4.777 1.00 0.00 O ATOM 883 CB TRP A 54 -4.318 0.067 -3.834 1.00 0.00 C ATOM 884 CG TRP A 54 -3.889 0.632 -2.517 1.00 0.00 C ATOM 885 CD1 TRP A 54 -4.291 1.815 -2.004 1.00 0.00 C ATOM 886 CD2 TRP A 54 -2.976 0.061 -1.536 1.00 0.00 C ATOM 887 NE1 TRP A 54 -3.724 1.996 -0.760 1.00 0.00 N ATOM 888 CE2 TRP A 54 -2.918 0.936 -0.411 1.00 0.00 C ATOM 889 CE3 TRP A 54 -2.201 -1.113 -1.478 1.00 0.00 C ATOM 890 CZ2 TRP A 54 -2.151 0.646 0.728 1.00 0.00 C ATOM 891 CZ3 TRP A 54 -1.415 -1.401 -0.348 1.00 0.00 C ATOM 892 CH2 TRP A 54 -1.395 -0.536 0.759 1.00 0.00 C ATOM 0 H TRP A 54 -5.197 -0.081 -6.138 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.352 1.656 -4.846 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.378 0.276 -3.975 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.209 -1.017 -3.802 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.955 2.512 -2.493 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.882 2.814 -0.171 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.210 -1.800 -2.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.143 1.323 1.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.818 -2.301 -0.331 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.802 -0.779 1.628 1.00 0.00 H new ATOM 903 N PHE A 55 -2.134 -1.180 -5.991 1.00 0.00 N ATOM 904 CA PHE A 55 -0.876 -1.818 -6.368 1.00 0.00 C ATOM 905 C PHE A 55 -0.018 -0.847 -7.178 1.00 0.00 C ATOM 906 O PHE A 55 1.162 -0.684 -6.870 1.00 0.00 O ATOM 907 CB PHE A 55 -1.099 -3.105 -7.177 1.00 0.00 C ATOM 908 CG PHE A 55 -2.097 -4.116 -6.637 1.00 0.00 C ATOM 909 CD1 PHE A 55 -2.359 -4.236 -5.259 1.00 0.00 C ATOM 910 CD2 PHE A 55 -2.764 -4.966 -7.539 1.00 0.00 C ATOM 911 CE1 PHE A 55 -3.300 -5.171 -4.804 1.00 0.00 C ATOM 912 CE2 PHE A 55 -3.681 -5.928 -7.079 1.00 0.00 C ATOM 913 CZ PHE A 55 -3.951 -6.029 -5.706 1.00 0.00 C ATOM 0 H PHE A 55 -2.962 -1.650 -6.356 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.362 -2.089 -5.446 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -1.420 -2.820 -8.179 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.137 -3.606 -7.281 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.836 -3.608 -4.553 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.569 -4.878 -8.598 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.526 -5.232 -3.750 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.175 -6.586 -7.779 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.656 -6.763 -5.344 1.00 0.00 H new ATOM 923 N GLN A 56 -0.620 -0.191 -8.178 1.00 0.00 N ATOM 924 CA GLN A 56 -0.001 0.815 -9.041 1.00 0.00 C ATOM 925 C GLN A 56 0.692 1.887 -8.185 1.00 0.00 C ATOM 926 O GLN A 56 1.846 2.264 -8.406 1.00 0.00 O ATOM 927 CB GLN A 56 -1.091 1.412 -9.954 1.00 0.00 C ATOM 928 CG GLN A 56 -0.578 1.991 -11.277 1.00 0.00 C ATOM 929 CD GLN A 56 -0.957 1.070 -12.429 1.00 0.00 C ATOM 930 OE1 GLN A 56 -0.143 0.326 -12.977 1.00 0.00 O ATOM 931 NE2 GLN A 56 -2.228 1.061 -12.772 1.00 0.00 N ATOM 0 H GLN A 56 -1.598 -0.357 -8.416 1.00 0.00 H new ATOM 0 HA GLN A 56 0.768 0.366 -9.669 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.825 0.637 -10.174 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.612 2.198 -9.408 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.001 2.982 -11.438 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.505 2.110 -11.236 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.886 1.685 -12.306 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.554 0.430 -13.504 1.00 0.00 H new ATOM 940 N ASN A 57 -0.002 2.352 -7.141 1.00 0.00 N ATOM 941 CA ASN A 57 0.519 3.396 -6.259 1.00 0.00 C ATOM 942 C ASN A 57 1.778 2.908 -5.528 1.00 0.00 C ATOM 943 O ASN A 57 2.733 3.674 -5.390 1.00 0.00 O ATOM 944 CB ASN A 57 -0.562 3.904 -5.284 1.00 0.00 C ATOM 945 CG ASN A 57 -1.496 4.920 -5.938 1.00 0.00 C ATOM 946 OD1 ASN A 57 -1.513 6.098 -5.578 1.00 0.00 O ATOM 947 ND2 ASN A 57 -2.305 4.512 -6.900 1.00 0.00 N ATOM 0 H ASN A 57 -0.932 2.018 -6.887 1.00 0.00 H new ATOM 0 HA ASN A 57 0.807 4.249 -6.873 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.146 3.059 -4.919 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.083 4.359 -4.417 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.943 5.172 -7.344 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.291 3.537 -7.198 1.00 0.00 H new ATOM 954 N ARG A 58 1.841 1.635 -5.119 1.00 0.00 N ATOM 955 CA ARG A 58 3.022 1.036 -4.482 1.00 0.00 C ATOM 956 C ARG A 58 4.124 0.660 -5.491 1.00 0.00 C ATOM 957 O ARG A 58 4.968 -0.174 -5.168 1.00 0.00 O ATOM 958 CB ARG A 58 2.602 -0.172 -3.612 1.00 0.00 C ATOM 959 CG ARG A 58 3.541 -0.410 -2.404 1.00 0.00 C ATOM 960 CD ARG A 58 3.076 0.360 -1.162 1.00 0.00 C ATOM 961 NE ARG A 58 3.957 0.170 0.008 1.00 0.00 N ATOM 962 CZ ARG A 58 3.590 0.356 1.287 1.00 0.00 C ATOM 963 NH1 ARG A 58 2.372 0.783 1.605 1.00 0.00 N ATOM 964 NH2 ARG A 58 4.435 0.128 2.283 1.00 0.00 N ATOM 0 H ARG A 58 1.063 0.983 -5.222 1.00 0.00 H new ATOM 0 HA ARG A 58 3.464 1.794 -3.836 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.586 -0.014 -3.249 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.583 -1.069 -4.232 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.580 -1.476 -2.178 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.554 -0.102 -2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.024 1.422 -1.400 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.066 0.042 -0.903 1.00 0.00 H new ATOM 0 HE ARG A 58 4.917 -0.125 -0.168 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.692 0.977 0.870 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.118 0.916 2.584 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.382 -0.194 2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.138 0.275 3.248 1.00 0.00 H new ATOM 978 N ARG A 59 4.160 1.233 -6.701 1.00 0.00 N ATOM 979 CA ARG A 59 5.289 1.065 -7.632 1.00 0.00 C ATOM 980 C ARG A 59 6.019 2.385 -7.868 1.00 0.00 C ATOM 981 O ARG A 59 7.242 2.455 -7.745 1.00 0.00 O ATOM 982 CB ARG A 59 4.837 0.463 -8.974 1.00 0.00 C ATOM 983 CG ARG A 59 3.944 -0.780 -8.856 1.00 0.00 C ATOM 984 CD ARG A 59 3.785 -1.521 -10.192 1.00 0.00 C ATOM 985 NE ARG A 59 4.908 -2.432 -10.472 1.00 0.00 N ATOM 986 CZ ARG A 59 5.049 -3.672 -9.987 1.00 0.00 C ATOM 987 NH1 ARG A 59 4.107 -4.198 -9.207 1.00 0.00 N ATOM 988 NH2 ARG A 59 6.139 -4.367 -10.275 1.00 0.00 N ATOM 0 H ARG A 59 3.412 1.824 -7.063 1.00 0.00 H new ATOM 0 HA ARG A 59 5.981 0.366 -7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.299 1.227 -9.536 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.722 0.203 -9.556 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.368 -1.459 -8.116 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.961 -0.483 -8.490 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.855 -2.090 -10.179 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.702 -0.793 -10.999 1.00 0.00 H new ATOM 0 HE ARG A 59 5.643 -2.088 -11.090 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.274 -3.656 -8.977 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.218 -5.143 -8.840 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.865 -3.957 -10.863 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.253 -5.312 -9.909 1.00 0.00 H new ATOM 1002 N ALA A 60 5.278 3.450 -8.180 1.00 0.00 N ATOM 1003 CA ALA A 60 5.821 4.713 -8.691 1.00 0.00 C ATOM 1004 C ALA A 60 6.268 5.643 -7.561 1.00 0.00 C ATOM 1005 O ALA A 60 6.837 6.707 -7.812 1.00 0.00 O ATOM 1006 CB ALA A 60 4.768 5.392 -9.574 1.00 0.00 C ATOM 0 H ALA A 60 4.263 3.460 -8.083 1.00 0.00 H new ATOM 0 HA ALA A 60 6.709 4.493 -9.284 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.166 6.332 -9.957 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.516 4.738 -10.408 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.872 5.590 -8.985 1.00 0.00 H new ATOM 1012 N LYS A 61 6.017 5.254 -6.307 1.00 0.00 N ATOM 1013 CA LYS A 61 6.417 6.000 -5.126 1.00 0.00 C ATOM 1014 C LYS A 61 7.912 6.323 -5.174 1.00 0.00 C ATOM 1015 O LYS A 61 8.269 7.502 -5.196 1.00 0.00 O ATOM 1016 CB LYS A 61 5.986 5.232 -3.871 1.00 0.00 C ATOM 1017 CG LYS A 61 6.426 6.020 -2.620 1.00 0.00 C ATOM 1018 CD LYS A 61 6.194 5.292 -1.298 1.00 0.00 C ATOM 1019 CE LYS A 61 6.754 6.184 -0.176 1.00 0.00 C ATOM 1020 NZ LYS A 61 6.750 5.534 1.150 1.00 0.00 N ATOM 0 H LYS A 61 5.519 4.391 -6.088 1.00 0.00 H new ATOM 0 HA LYS A 61 5.912 6.965 -5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.905 5.094 -3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.434 4.238 -3.866 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.487 6.255 -2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.890 6.969 -2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.131 5.104 -1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.692 4.322 -1.302 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.775 6.473 -0.427 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.167 7.101 -0.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.139 6.188 1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.775 5.282 1.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.333 4.673 1.116 1.00 0.00 H new ATOM 1034 N TRP A 62 8.778 5.306 -5.185 1.00 0.00 N ATOM 1035 CA TRP A 62 10.219 5.540 -5.120 1.00 0.00 C ATOM 1036 C TRP A 62 10.726 6.193 -6.395 1.00 0.00 C ATOM 1037 O TRP A 62 11.571 7.078 -6.318 1.00 0.00 O ATOM 1038 CB TRP A 62 10.991 4.248 -4.838 1.00 0.00 C ATOM 1039 CG TRP A 62 10.375 3.392 -3.782 1.00 0.00 C ATOM 1040 CD1 TRP A 62 10.497 3.551 -2.446 1.00 0.00 C ATOM 1041 CD2 TRP A 62 9.492 2.257 -3.977 1.00 0.00 C ATOM 1042 NE1 TRP A 62 9.722 2.607 -1.802 1.00 0.00 N ATOM 1043 CE2 TRP A 62 9.066 1.796 -2.702 1.00 0.00 C ATOM 1044 CE3 TRP A 62 8.990 1.593 -5.112 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 8.168 0.733 -2.563 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 8.123 0.495 -4.983 1.00 0.00 C ATOM 1047 CH2 TRP A 62 7.711 0.065 -3.709 1.00 0.00 C ATOM 0 H TRP A 62 8.508 4.324 -5.238 1.00 0.00 H new ATOM 0 HA TRP A 62 10.395 6.223 -4.289 1.00 0.00 H new ATOM 0 HB2 TRP A 62 11.065 3.672 -5.761 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.008 4.502 -4.538 1.00 0.00 H new ATOM 0 HD1 TRP A 62 11.105 4.299 -1.958 1.00 0.00 H new ATOM 0 HE1 TRP A 62 9.645 2.521 -0.789 1.00 0.00 H new ATOM 0 HE3 TRP A 62 9.276 1.933 -6.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 7.830 0.429 -1.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 7.772 -0.020 -5.865 1.00 0.00 H new ATOM 0 HH2 TRP A 62 7.043 -0.779 -3.613 1.00 0.00 H new ATOM 1058 N LYS A 63 10.218 5.793 -7.567 1.00 0.00 N ATOM 1059 CA LYS A 63 10.701 6.310 -8.837 1.00 0.00 C ATOM 1060 C LYS A 63 10.532 7.824 -8.934 1.00 0.00 C ATOM 1061 O LYS A 63 11.435 8.458 -9.456 1.00 0.00 O ATOM 1062 CB LYS A 63 9.993 5.604 -9.999 1.00 0.00 C ATOM 1063 CG LYS A 63 10.833 4.470 -10.603 1.00 0.00 C ATOM 1064 CD LYS A 63 10.684 3.111 -9.903 1.00 0.00 C ATOM 1065 CE LYS A 63 11.365 2.042 -10.777 1.00 0.00 C ATOM 1066 NZ LYS A 63 10.656 0.747 -10.758 1.00 0.00 N ATOM 0 H LYS A 63 9.467 5.108 -7.654 1.00 0.00 H new ATOM 0 HA LYS A 63 11.769 6.103 -8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.043 5.200 -9.649 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.762 6.333 -10.776 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.560 4.354 -11.652 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.883 4.762 -10.578 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.141 3.141 -8.914 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.630 2.871 -9.760 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.424 2.403 -11.804 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.388 1.895 -10.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.159 0.067 -11.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.622 0.384 -9.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.687 0.876 -11.114 1.00 0.00 H new ATOM 1080 N ARG A 64 9.482 8.441 -8.380 1.00 0.00 N ATOM 1081 CA ARG A 64 9.410 9.912 -8.359 1.00 0.00 C ATOM 1082 C ARG A 64 10.551 10.604 -7.593 1.00 0.00 C ATOM 1083 O ARG A 64 10.655 11.828 -7.657 1.00 0.00 O ATOM 1084 CB ARG A 64 8.041 10.380 -7.873 1.00 0.00 C ATOM 1085 CG ARG A 64 6.977 10.358 -8.986 1.00 0.00 C ATOM 1086 CD ARG A 64 6.194 11.677 -9.050 1.00 0.00 C ATOM 1087 NE ARG A 64 5.364 11.891 -7.854 1.00 0.00 N ATOM 1088 CZ ARG A 64 4.830 13.054 -7.450 1.00 0.00 C ATOM 1089 NH1 ARG A 64 5.183 14.220 -7.987 1.00 0.00 N ATOM 1090 NH2 ARG A 64 3.916 13.018 -6.487 1.00 0.00 N ATOM 0 H ARG A 64 8.689 7.964 -7.951 1.00 0.00 H new ATOM 0 HA ARG A 64 9.548 10.225 -9.394 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.714 9.743 -7.051 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.127 11.392 -7.478 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.459 10.174 -9.946 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.286 9.533 -8.813 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.892 12.507 -9.158 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.559 11.677 -9.936 1.00 0.00 H new ATOM 0 HE ARG A 64 5.176 11.073 -7.274 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.881 14.249 -8.731 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.756 15.085 -7.655 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.640 12.125 -6.078 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.490 13.883 -6.156 1.00 0.00 H new ATOM 1104 N ILE A 65 11.391 9.862 -6.873 1.00 0.00 N ATOM 1105 CA ILE A 65 12.612 10.341 -6.233 1.00 0.00 C ATOM 1106 C ILE A 65 13.817 9.799 -7.021 1.00 0.00 C ATOM 1107 O ILE A 65 14.798 10.503 -7.243 1.00 0.00 O ATOM 1108 CB ILE A 65 12.638 9.911 -4.745 1.00 0.00 C ATOM 1109 CG1 ILE A 65 11.251 10.097 -4.077 1.00 0.00 C ATOM 1110 CG2 ILE A 65 13.732 10.704 -4.009 1.00 0.00 C ATOM 1111 CD1 ILE A 65 11.235 9.919 -2.560 1.00 0.00 C ATOM 0 H ILE A 65 11.231 8.867 -6.714 1.00 0.00 H new ATOM 0 HA ILE A 65 12.654 11.430 -6.244 1.00 0.00 H new ATOM 0 HB ILE A 65 12.871 8.848 -4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 65 10.881 11.094 -4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 65 10.554 9.385 -4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 65 13.755 10.406 -2.961 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.700 10.499 -4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 65 13.517 11.770 -4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.222 10.069 -2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.570 8.913 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 65 11.902 10.649 -2.101 1.00 0.00 H new ATOM 1123 N LYS A 66 13.753 8.529 -7.432 1.00 0.00 N ATOM 1124 CA LYS A 66 14.831 7.783 -8.076 1.00 0.00 C ATOM 1125 C LYS A 66 15.000 8.118 -9.564 1.00 0.00 C ATOM 1126 O LYS A 66 15.986 7.683 -10.157 1.00 0.00 O ATOM 1127 CB LYS A 66 14.577 6.272 -7.858 1.00 0.00 C ATOM 1128 CG LYS A 66 15.793 5.496 -7.328 1.00 0.00 C ATOM 1129 CD LYS A 66 16.897 5.334 -8.373 1.00 0.00 C ATOM 1130 CE LYS A 66 18.011 4.428 -7.835 1.00 0.00 C ATOM 1131 NZ LYS A 66 19.141 4.307 -8.778 1.00 0.00 N ATOM 0 H LYS A 66 12.908 7.970 -7.318 1.00 0.00 H new ATOM 0 HA LYS A 66 15.774 8.077 -7.614 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.751 6.152 -7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 66 14.261 5.829 -8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 66 16.197 6.013 -6.458 1.00 0.00 H new ATOM 0 HG3 LYS A 66 15.470 4.511 -6.992 1.00 0.00 H new ATOM 0 HD2 LYS A 66 16.482 4.908 -9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.307 6.310 -8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 66 18.373 4.826 -6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 66 17.604 3.438 -7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 19.868 3.685 -8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 18.803 3.903 -9.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 19.549 5.247 -8.954 1.00 0.00 H new ATOM 1145 N ALA A 67 14.063 8.801 -10.220 1.00 0.00 N ATOM 1146 CA ALA A 67 14.003 8.939 -11.672 1.00 0.00 C ATOM 1147 C ALA A 67 13.801 10.405 -12.038 1.00 0.00 C ATOM 1148 O ALA A 67 12.669 10.847 -12.254 1.00 0.00 O ATOM 1149 CB ALA A 67 12.910 8.026 -12.253 1.00 0.00 C ATOM 0 H ALA A 67 13.304 9.287 -9.742 1.00 0.00 H new ATOM 0 HA ALA A 67 14.946 8.617 -12.115 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.878 8.141 -13.336 1.00 0.00 H new ATOM 0 HB2 ALA A 67 13.133 6.988 -12.004 1.00 0.00 H new ATOM 0 HB3 ALA A 67 11.944 8.301 -11.830 1.00 0.00 H new ATOM 1155 N GLY A 68 14.912 11.134 -12.117 1.00 0.00 N ATOM 1156 CA GLY A 68 14.948 12.484 -12.638 1.00 0.00 C ATOM 1157 C GLY A 68 14.657 12.518 -14.135 1.00 0.00 C ATOM 1158 O GLY A 68 14.510 11.481 -14.800 1.00 0.00 O ATOM 0 H GLY A 68 15.823 10.791 -11.814 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.217 13.097 -12.111 1.00 0.00 H new ATOM 0 HA3 GLY A 68 15.928 12.922 -12.448 1.00 0.00 H new ATOM 1162 N ASN A 69 14.562 13.736 -14.658 1.00 0.00 N ATOM 1163 CA ASN A 69 14.342 14.052 -16.057 1.00 0.00 C ATOM 1164 C ASN A 69 14.827 15.480 -16.310 1.00 0.00 C ATOM 1165 O ASN A 69 14.912 16.275 -15.365 1.00 0.00 O ATOM 1166 CB ASN A 69 12.839 13.971 -16.365 1.00 0.00 C ATOM 1167 CG ASN A 69 12.602 13.688 -17.836 1.00 0.00 C ATOM 1168 OD1 ASN A 69 12.763 12.552 -18.281 1.00 0.00 O ATOM 1169 ND2 ASN A 69 12.237 14.679 -18.623 1.00 0.00 N ATOM 0 H ASN A 69 14.642 14.573 -14.081 1.00 0.00 H new ATOM 0 HA ASN A 69 14.882 13.349 -16.691 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.382 13.187 -15.762 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.356 14.908 -16.089 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.083 14.511 -19.617 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.108 15.615 -18.238 1.00 0.00 H new ATOM 1176 N VAL A 70 15.045 15.847 -17.574 1.00 0.00 N ATOM 1177 CA VAL A 70 15.126 17.249 -17.962 1.00 0.00 C ATOM 1178 C VAL A 70 13.778 17.895 -17.637 1.00 0.00 C ATOM 1179 O VAL A 70 12.739 17.410 -18.098 1.00 0.00 O ATOM 1180 CB VAL A 70 15.578 17.392 -19.430 1.00 0.00 C ATOM 1181 CG1 VAL A 70 14.697 16.648 -20.447 1.00 0.00 C ATOM 1182 CG2 VAL A 70 15.713 18.866 -19.834 1.00 0.00 C ATOM 0 H VAL A 70 15.168 15.190 -18.344 1.00 0.00 H new ATOM 0 HA VAL A 70 15.893 17.782 -17.399 1.00 0.00 H new ATOM 0 HB VAL A 70 16.555 16.910 -19.464 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.090 16.805 -21.452 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.699 15.582 -20.219 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.677 17.029 -20.392 1.00 0.00 H new ATOM 0 HG21 VAL A 70 16.033 18.930 -20.874 1.00 0.00 H new ATOM 0 HG22 VAL A 70 14.750 19.364 -19.719 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.452 19.352 -19.196 1.00 0.00 H new ATOM 1192 N SER A 71 13.811 18.922 -16.791 1.00 0.00 N ATOM 1193 CA SER A 71 12.643 19.644 -16.320 1.00 0.00 C ATOM 1194 C SER A 71 11.821 20.108 -17.513 1.00 0.00 C ATOM 1195 O SER A 71 12.391 20.699 -18.446 1.00 0.00 O ATOM 1196 CB SER A 71 13.106 20.806 -15.441 1.00 0.00 C ATOM 1197 OG SER A 71 13.874 20.308 -14.350 1.00 0.00 O ATOM 0 H SER A 71 14.683 19.283 -16.405 1.00 0.00 H new ATOM 0 HA SER A 71 12.002 19.002 -15.716 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.702 21.504 -16.029 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.243 21.359 -15.068 1.00 0.00 H new ATOM 0 HG SER A 71 14.170 21.056 -13.790 1.00 0.00 H new TER 1203 SER A 71