USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 588 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 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 50 GLN : amide:sc= -0.0644 X(o=-0.064,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.216 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -140:sc= -0.717 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.73 K(o=-1.7,f=-0.054) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.059 USER MOD Single : A 29 ASN : amide:sc= -0.706 K(o=-0.71,f=-0.11) USER MOD Single : A 30 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00179) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -169:sc= -0.643 (180deg=-0.777) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 72:sc= 1.12 USER MOD Single : A 44 THR OG1 : rot -58:sc= -1.86! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 90:sc= -0.39 USER MOD Single : A 56 GLN : amide:sc= -0.104 K(o=-0.1,f=-1.2) USER MOD Single : A 57 ASN : amide:sc= -0.377 X(o=-0.38,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 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0432 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.679 16.431 15.661 1.00 0.00 N ATOM 2 CA GLY A 1 -23.739 16.475 14.670 1.00 0.00 C ATOM 3 C GLY A 1 -23.399 17.374 13.497 1.00 0.00 C ATOM 4 O GLY A 1 -24.087 18.364 13.246 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.960 15.804 16.442 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.808 16.069 15.222 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.509 17.388 16.030 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.934 15.466 14.306 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.657 16.828 15.140 1.00 0.00 H new ATOM 8 N SER A 2 -22.335 17.031 12.779 1.00 0.00 N ATOM 9 CA SER A 2 -21.902 17.818 11.630 1.00 0.00 C ATOM 10 C SER A 2 -21.771 16.940 10.389 1.00 0.00 C ATOM 11 O SER A 2 -22.333 17.246 9.337 1.00 0.00 O ATOM 12 CB SER A 2 -20.566 18.502 11.928 1.00 0.00 C ATOM 13 OG SER A 2 -19.546 17.548 12.165 1.00 0.00 O ATOM 0 H SER A 2 -21.757 16.213 12.972 1.00 0.00 H new ATOM 0 HA SER A 2 -22.657 18.580 11.437 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.285 19.139 11.089 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.672 19.150 12.798 1.00 0.00 H new ATOM 0 HG SER A 2 -18.702 18.011 12.351 1.00 0.00 H new ATOM 19 N SER A 3 -21.024 15.849 10.520 1.00 0.00 N ATOM 20 CA SER A 3 -20.815 14.928 9.409 1.00 0.00 C ATOM 21 C SER A 3 -21.928 13.885 9.351 1.00 0.00 C ATOM 22 O SER A 3 -22.417 13.543 8.275 1.00 0.00 O ATOM 23 CB SER A 3 -19.458 14.234 9.542 1.00 0.00 C ATOM 24 OG SER A 3 -18.400 15.117 9.211 1.00 0.00 O ATOM 0 H SER A 3 -20.553 15.581 11.384 1.00 0.00 H new ATOM 0 HA SER A 3 -20.832 15.504 8.484 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.329 13.873 10.562 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.426 13.362 8.889 1.00 0.00 H new ATOM 0 HG SER A 3 -17.543 14.651 9.305 1.00 0.00 H new ATOM 30 N GLY A 4 -22.322 13.384 10.517 1.00 0.00 N ATOM 31 CA GLY A 4 -23.374 12.386 10.578 1.00 0.00 C ATOM 32 C GLY A 4 -23.348 11.594 11.870 1.00 0.00 C ATOM 33 O GLY A 4 -22.357 11.617 12.600 1.00 0.00 O ATOM 0 H GLY A 4 -21.932 13.651 11.421 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.342 12.876 10.476 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.272 11.703 9.735 1.00 0.00 H new ATOM 37 N SER A 5 -24.441 10.893 12.155 1.00 0.00 N ATOM 38 CA SER A 5 -24.542 10.096 13.372 1.00 0.00 C ATOM 39 C SER A 5 -24.452 8.606 13.054 1.00 0.00 C ATOM 40 O SER A 5 -25.452 7.970 12.720 1.00 0.00 O ATOM 41 CB SER A 5 -25.855 10.396 14.096 1.00 0.00 C ATOM 42 OG SER A 5 -25.778 11.620 14.806 1.00 0.00 O ATOM 0 H SER A 5 -25.269 10.861 11.560 1.00 0.00 H new ATOM 0 HA SER A 5 -23.708 10.362 14.022 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.670 10.442 13.374 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.086 9.585 14.787 1.00 0.00 H new ATOM 0 HG SER A 5 -26.630 11.790 15.259 1.00 0.00 H new ATOM 48 N SER A 6 -23.247 8.056 13.160 1.00 0.00 N ATOM 49 CA SER A 6 -23.024 6.643 12.880 1.00 0.00 C ATOM 50 C SER A 6 -22.788 5.864 14.171 1.00 0.00 C ATOM 51 O SER A 6 -22.442 6.439 15.202 1.00 0.00 O ATOM 52 CB SER A 6 -21.829 6.469 11.941 1.00 0.00 C ATOM 53 OG SER A 6 -21.571 5.098 11.693 1.00 0.00 O ATOM 0 H SER A 6 -22.410 8.568 13.438 1.00 0.00 H new ATOM 0 HA SER A 6 -23.918 6.249 12.396 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.025 6.982 10.999 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.947 6.935 12.380 1.00 0.00 H new ATOM 0 HG SER A 6 -20.603 4.944 11.684 1.00 0.00 H new ATOM 59 N GLY A 7 -22.979 4.550 14.105 1.00 0.00 N ATOM 60 CA GLY A 7 -22.784 3.712 15.274 1.00 0.00 C ATOM 61 C GLY A 7 -21.896 2.517 14.989 1.00 0.00 C ATOM 62 O GLY A 7 -22.377 1.465 14.568 1.00 0.00 O ATOM 0 H GLY A 7 -23.265 4.051 13.263 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.342 4.306 16.074 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.752 3.364 15.633 1.00 0.00 H new ATOM 66 N ARG A 8 -20.597 2.679 15.217 1.00 0.00 N ATOM 67 CA ARG A 8 -19.640 1.605 14.979 1.00 0.00 C ATOM 68 C ARG A 8 -19.773 1.063 13.559 1.00 0.00 C ATOM 69 O ARG A 8 -19.754 -0.148 13.340 1.00 0.00 O ATOM 70 CB ARG A 8 -19.847 0.475 15.989 1.00 0.00 C ATOM 71 CG ARG A 8 -18.673 -0.485 16.079 1.00 0.00 C ATOM 72 CD ARG A 8 -19.051 -1.761 16.815 1.00 0.00 C ATOM 73 NE ARG A 8 -17.894 -2.622 17.047 1.00 0.00 N ATOM 74 CZ ARG A 8 -17.393 -3.442 16.129 1.00 0.00 C ATOM 75 NH1 ARG A 8 -17.943 -3.510 14.925 1.00 0.00 N ATOM 76 NH2 ARG A 8 -16.338 -4.194 16.415 1.00 0.00 N ATOM 0 H ARG A 8 -20.183 3.543 15.566 1.00 0.00 H new ATOM 0 HA ARG A 8 -18.637 2.013 15.101 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -20.028 0.908 16.973 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -20.742 -0.084 15.717 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -18.326 -0.732 15.076 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.843 0.000 16.593 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.511 -1.506 17.770 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.798 -2.305 16.237 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.446 -2.592 17.963 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -18.753 -2.932 14.701 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.556 -4.140 14.222 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.911 -4.143 17.340 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.954 -4.823 15.710 1.00 0.00 H new ATOM 90 N LYS A 9 -19.909 1.969 12.596 1.00 0.00 N ATOM 91 CA LYS A 9 -20.044 1.583 11.196 1.00 0.00 C ATOM 92 C LYS A 9 -18.799 1.967 10.403 1.00 0.00 C ATOM 93 O LYS A 9 -18.889 2.368 9.242 1.00 0.00 O ATOM 94 CB LYS A 9 -21.279 2.246 10.581 1.00 0.00 C ATOM 95 CG LYS A 9 -21.765 1.567 9.312 1.00 0.00 C ATOM 96 CD LYS A 9 -22.312 0.178 9.598 1.00 0.00 C ATOM 97 CE LYS A 9 -22.804 -0.499 8.328 1.00 0.00 C ATOM 98 NZ LYS A 9 -23.344 -1.860 8.598 1.00 0.00 N ATOM 0 H LYS A 9 -19.929 2.976 12.760 1.00 0.00 H new ATOM 0 HA LYS A 9 -20.160 0.500 11.152 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -22.085 2.245 11.315 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -21.050 3.288 10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -22.540 2.176 8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -20.944 1.496 8.599 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -21.536 -0.432 10.060 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -23.130 0.248 10.315 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -23.578 0.114 7.866 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -21.984 -0.569 7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -23.669 -2.288 7.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -22.598 -2.453 9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -24.143 -1.791 9.261 1.00 0.00 H new ATOM 112 N LYS A 10 -17.638 1.842 11.036 1.00 0.00 N ATOM 113 CA LYS A 10 -16.374 2.173 10.389 1.00 0.00 C ATOM 114 C LYS A 10 -16.136 1.284 9.172 1.00 0.00 C ATOM 115 O LYS A 10 -16.385 0.079 9.214 1.00 0.00 O ATOM 116 CB LYS A 10 -15.216 2.021 11.379 1.00 0.00 C ATOM 117 CG LYS A 10 -15.108 0.630 11.980 1.00 0.00 C ATOM 118 CD LYS A 10 -13.860 0.488 12.835 1.00 0.00 C ATOM 119 CE LYS A 10 -14.072 -0.502 13.970 1.00 0.00 C ATOM 120 NZ LYS A 10 -13.065 -0.327 15.054 1.00 0.00 N ATOM 0 H LYS A 10 -17.546 1.514 11.997 1.00 0.00 H new ATOM 0 HA LYS A 10 -16.426 3.209 10.055 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -14.282 2.262 10.872 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.339 2.747 12.183 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.991 0.425 12.586 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.090 -0.112 11.182 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.028 0.158 12.214 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.586 1.460 13.245 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.074 -0.375 14.381 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -14.014 -1.519 13.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.243 -1.020 15.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.110 -0.473 14.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.137 0.635 15.443 1.00 0.00 H new ATOM 134 N ARG A 11 -15.652 1.886 8.091 1.00 0.00 N ATOM 135 CA ARG A 11 -15.381 1.149 6.863 1.00 0.00 C ATOM 136 C ARG A 11 -13.879 0.993 6.643 1.00 0.00 C ATOM 137 O ARG A 11 -13.072 1.486 7.432 1.00 0.00 O ATOM 138 CB ARG A 11 -16.011 1.863 5.665 1.00 0.00 C ATOM 139 CG ARG A 11 -17.427 1.403 5.358 1.00 0.00 C ATOM 140 CD ARG A 11 -17.770 1.599 3.890 1.00 0.00 C ATOM 141 NE ARG A 11 -19.207 1.747 3.679 1.00 0.00 N ATOM 142 CZ ARG A 11 -20.060 0.728 3.684 1.00 0.00 C ATOM 143 NH1 ARG A 11 -19.622 -0.506 3.888 1.00 0.00 N ATOM 144 NH2 ARG A 11 -21.354 0.943 3.484 1.00 0.00 N ATOM 0 H ARG A 11 -15.439 2.882 8.041 1.00 0.00 H new ATOM 0 HA ARG A 11 -15.822 0.157 6.959 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -16.020 2.936 5.856 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -15.387 1.701 4.786 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -17.534 0.350 5.620 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -18.133 1.959 5.975 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -17.255 2.482 3.512 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -17.405 0.748 3.316 1.00 0.00 H new ATOM 0 HE ARG A 11 -19.577 2.684 3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -18.628 -0.675 4.042 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -20.279 -1.286 3.891 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -21.695 1.891 3.326 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -22.008 0.160 3.488 1.00 0.00 H new ATOM 158 N ILE A 12 -13.512 0.304 5.568 1.00 0.00 N ATOM 159 CA ILE A 12 -12.108 0.083 5.245 1.00 0.00 C ATOM 160 C ILE A 12 -11.333 1.396 5.238 1.00 0.00 C ATOM 161 O ILE A 12 -11.778 2.406 4.692 1.00 0.00 O ATOM 162 CB ILE A 12 -11.946 -0.603 3.876 1.00 0.00 C ATOM 163 CG1 ILE A 12 -12.720 -1.923 3.848 1.00 0.00 C ATOM 164 CG2 ILE A 12 -10.474 -0.839 3.572 1.00 0.00 C ATOM 165 CD1 ILE A 12 -12.295 -2.895 4.925 1.00 0.00 C ATOM 0 H ILE A 12 -14.168 -0.111 4.906 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.705 -0.570 6.019 1.00 0.00 H new ATOM 0 HB ILE A 12 -12.355 0.053 3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -13.784 -1.713 3.958 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.587 -2.392 2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.376 -1.325 2.601 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.948 0.116 3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.041 -1.478 4.342 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.885 -3.808 4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.239 -3.134 4.803 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.454 -2.445 5.905 1.00 0.00 H new ATOM 177 N PRO A 13 -10.143 1.385 5.857 1.00 0.00 N ATOM 178 CA PRO A 13 -9.279 2.566 5.934 1.00 0.00 C ATOM 179 C PRO A 13 -8.485 2.788 4.652 1.00 0.00 C ATOM 180 O PRO A 13 -8.733 2.137 3.636 1.00 0.00 O ATOM 181 CB PRO A 13 -8.337 2.242 7.097 1.00 0.00 C ATOM 182 CG PRO A 13 -8.293 0.754 7.144 1.00 0.00 C ATOM 183 CD PRO A 13 -9.550 0.217 6.530 1.00 0.00 C ATOM 0 HA PRO A 13 -9.853 3.482 6.075 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.345 2.663 6.932 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.708 2.657 8.034 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -7.421 0.384 6.604 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.199 0.411 8.174 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.338 -0.586 5.824 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.221 -0.192 7.286 1.00 0.00 H new ATOM 191 N TYR A 14 -7.529 3.709 4.705 1.00 0.00 N ATOM 192 CA TYR A 14 -6.700 4.018 3.546 1.00 0.00 C ATOM 193 C TYR A 14 -7.542 4.593 2.411 1.00 0.00 C ATOM 194 O TYR A 14 -8.314 3.879 1.772 1.00 0.00 O ATOM 195 CB TYR A 14 -5.968 2.763 3.068 1.00 0.00 C ATOM 196 CG TYR A 14 -5.284 2.000 4.179 1.00 0.00 C ATOM 197 CD1 TYR A 14 -4.217 2.555 4.875 1.00 0.00 C ATOM 198 CD2 TYR A 14 -5.705 0.724 4.534 1.00 0.00 C ATOM 199 CE1 TYR A 14 -3.589 1.861 5.891 1.00 0.00 C ATOM 200 CE2 TYR A 14 -5.083 0.024 5.549 1.00 0.00 C ATOM 201 CZ TYR A 14 -4.026 0.596 6.225 1.00 0.00 C ATOM 202 OH TYR A 14 -3.403 -0.099 7.236 1.00 0.00 O ATOM 0 H TYR A 14 -7.309 4.255 5.538 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.967 4.767 3.845 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.680 2.104 2.572 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.225 3.048 2.323 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.873 3.546 4.617 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.533 0.272 4.007 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.760 2.307 6.421 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.423 -0.967 5.812 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.833 -0.973 7.346 1.00 0.00 H new ATOM 212 N SER A 15 -7.386 5.891 2.166 1.00 0.00 N ATOM 213 CA SER A 15 -8.133 6.564 1.111 1.00 0.00 C ATOM 214 C SER A 15 -7.741 6.025 -0.262 1.00 0.00 C ATOM 215 O SER A 15 -6.715 5.361 -0.412 1.00 0.00 O ATOM 216 CB SER A 15 -7.888 8.073 1.167 1.00 0.00 C ATOM 217 OG SER A 15 -8.750 8.696 2.104 1.00 0.00 O ATOM 0 H SER A 15 -6.749 6.496 2.684 1.00 0.00 H new ATOM 0 HA SER A 15 -9.193 6.368 1.270 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.850 8.266 1.439 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.045 8.507 0.179 1.00 0.00 H new ATOM 0 HG SER A 15 -8.572 9.660 2.122 1.00 0.00 H new ATOM 223 N LYS A 16 -8.567 6.314 -1.262 1.00 0.00 N ATOM 224 CA LYS A 16 -8.309 5.861 -2.623 1.00 0.00 C ATOM 225 C LYS A 16 -6.892 6.221 -3.057 1.00 0.00 C ATOM 226 O LYS A 16 -6.196 5.412 -3.669 1.00 0.00 O ATOM 227 CB LYS A 16 -9.322 6.479 -3.589 1.00 0.00 C ATOM 228 CG LYS A 16 -10.758 6.073 -3.306 1.00 0.00 C ATOM 229 CD LYS A 16 -11.738 7.153 -3.732 1.00 0.00 C ATOM 230 CE LYS A 16 -13.124 6.907 -3.158 1.00 0.00 C ATOM 231 NZ LYS A 16 -14.138 7.828 -3.742 1.00 0.00 N ATOM 0 H LYS A 16 -9.422 6.860 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.412 4.776 -2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.244 7.565 -3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.065 6.188 -4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.985 5.146 -3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.877 5.872 -2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.374 8.126 -3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.794 7.186 -4.820 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.418 5.875 -3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -13.097 7.036 -2.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.069 7.628 -3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.871 8.812 -3.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.182 7.688 -4.772 1.00 0.00 H new ATOM 245 N GLY A 17 -6.471 7.440 -2.735 1.00 0.00 N ATOM 246 CA GLY A 17 -5.138 7.884 -3.098 1.00 0.00 C ATOM 247 C GLY A 17 -4.051 7.095 -2.396 1.00 0.00 C ATOM 248 O GLY A 17 -3.033 6.757 -2.999 1.00 0.00 O ATOM 0 H GLY A 17 -7.029 8.128 -2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.010 7.793 -4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.031 8.941 -2.853 1.00 0.00 H new ATOM 252 N GLN A 18 -4.268 6.801 -1.118 1.00 0.00 N ATOM 253 CA GLN A 18 -3.297 6.048 -0.333 1.00 0.00 C ATOM 254 C GLN A 18 -3.162 4.622 -0.856 1.00 0.00 C ATOM 255 O GLN A 18 -2.053 4.128 -1.063 1.00 0.00 O ATOM 256 CB GLN A 18 -3.708 6.027 1.141 1.00 0.00 C ATOM 257 CG GLN A 18 -3.457 7.342 1.861 1.00 0.00 C ATOM 258 CD GLN A 18 -3.830 7.283 3.330 1.00 0.00 C ATOM 259 OE1 GLN A 18 -4.526 8.161 3.841 1.00 0.00 O ATOM 260 NE2 GLN A 18 -3.369 6.245 4.017 1.00 0.00 N ATOM 0 H GLN A 18 -5.107 7.072 -0.605 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.330 6.542 -0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.767 5.781 1.211 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.162 5.233 1.651 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.404 7.608 1.768 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.030 8.133 1.376 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -2.795 5.541 3.553 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.588 6.152 5.009 1.00 0.00 H new ATOM 269 N LEU A 19 -4.297 3.965 -1.067 1.00 0.00 N ATOM 270 CA LEU A 19 -4.306 2.594 -1.566 1.00 0.00 C ATOM 271 C LEU A 19 -3.788 2.533 -3.000 1.00 0.00 C ATOM 272 O LEU A 19 -3.314 1.493 -3.455 1.00 0.00 O ATOM 273 CB LEU A 19 -5.720 2.015 -1.497 1.00 0.00 C ATOM 274 CG LEU A 19 -6.327 1.890 -0.099 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.840 1.753 -0.184 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.724 0.705 0.640 1.00 0.00 C ATOM 0 H LEU A 19 -5.223 4.359 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.645 1.999 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.377 2.640 -2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.709 1.026 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.095 2.797 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.254 1.665 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.258 2.633 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.093 0.863 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.168 0.631 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.925 -0.211 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.647 0.844 0.733 1.00 0.00 H new ATOM 288 N ARG A 20 -3.882 3.656 -3.705 1.00 0.00 N ATOM 289 CA ARG A 20 -3.422 3.730 -5.087 1.00 0.00 C ATOM 290 C ARG A 20 -1.958 3.313 -5.196 1.00 0.00 C ATOM 291 O ARG A 20 -1.554 2.683 -6.172 1.00 0.00 O ATOM 292 CB ARG A 20 -3.601 5.149 -5.630 1.00 0.00 C ATOM 293 CG ARG A 20 -3.581 5.226 -7.148 1.00 0.00 C ATOM 294 CD ARG A 20 -4.873 4.695 -7.750 1.00 0.00 C ATOM 295 NE ARG A 20 -5.126 5.249 -9.077 1.00 0.00 N ATOM 296 CZ ARG A 20 -6.268 5.085 -9.736 1.00 0.00 C ATOM 297 NH1 ARG A 20 -7.256 4.387 -9.194 1.00 0.00 N ATOM 298 NH2 ARG A 20 -6.423 5.620 -10.941 1.00 0.00 N ATOM 0 H ARG A 20 -4.272 4.526 -3.343 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.023 3.042 -5.681 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.546 5.552 -5.266 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.810 5.784 -5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.431 6.260 -7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.737 4.653 -7.531 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.823 3.608 -7.814 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.707 4.937 -7.091 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.386 5.791 -9.522 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.141 3.974 -8.268 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.131 4.263 -9.702 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.665 6.157 -11.362 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.300 5.494 -11.446 1.00 0.00 H new ATOM 312 N GLU A 21 -1.170 3.670 -4.187 1.00 0.00 N ATOM 313 CA GLU A 21 0.249 3.334 -4.171 1.00 0.00 C ATOM 314 C GLU A 21 0.472 1.944 -3.583 1.00 0.00 C ATOM 315 O GLU A 21 1.328 1.190 -4.049 1.00 0.00 O ATOM 316 CB GLU A 21 1.033 4.372 -3.365 1.00 0.00 C ATOM 317 CG GLU A 21 0.907 5.786 -3.908 1.00 0.00 C ATOM 318 CD GLU A 21 1.242 5.876 -5.384 1.00 0.00 C ATOM 319 OE1 GLU A 21 2.438 5.773 -5.729 1.00 0.00 O ATOM 320 OE2 GLU A 21 0.308 6.050 -6.195 1.00 0.00 O ATOM 0 H GLU A 21 -1.490 4.191 -3.371 1.00 0.00 H new ATOM 0 HA GLU A 21 0.608 3.337 -5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.685 4.356 -2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.086 4.090 -3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.110 6.143 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.569 6.447 -3.348 1.00 0.00 H new ATOM 327 N LEU A 22 -0.303 1.610 -2.557 1.00 0.00 N ATOM 328 CA LEU A 22 -0.191 0.311 -1.904 1.00 0.00 C ATOM 329 C LEU A 22 -0.502 -0.818 -2.881 1.00 0.00 C ATOM 330 O LEU A 22 0.274 -1.764 -3.018 1.00 0.00 O ATOM 331 CB LEU A 22 -1.138 0.238 -0.704 1.00 0.00 C ATOM 332 CG LEU A 22 -0.781 1.128 0.487 1.00 0.00 C ATOM 333 CD1 LEU A 22 -1.928 1.167 1.485 1.00 0.00 C ATOM 334 CD2 LEU A 22 0.495 0.638 1.156 1.00 0.00 C ATOM 0 H LEU A 22 -1.016 2.221 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 22 0.836 0.194 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.141 0.501 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.178 -0.796 -0.361 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.609 2.140 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.657 1.805 2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.819 1.566 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.131 0.159 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.734 1.283 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.352 -0.383 1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.315 0.663 0.438 1.00 0.00 H new ATOM 346 N GLU A 23 -1.640 -0.711 -3.559 1.00 0.00 N ATOM 347 CA GLU A 23 -2.052 -1.723 -4.524 1.00 0.00 C ATOM 348 C GLU A 23 -1.068 -1.797 -5.688 1.00 0.00 C ATOM 349 O GLU A 23 -0.773 -2.879 -6.198 1.00 0.00 O ATOM 350 CB GLU A 23 -3.457 -1.418 -5.049 1.00 0.00 C ATOM 351 CG GLU A 23 -4.521 -1.398 -3.964 1.00 0.00 C ATOM 352 CD GLU A 23 -5.859 -0.893 -4.468 1.00 0.00 C ATOM 353 OE1 GLU A 23 -5.897 0.214 -5.045 1.00 0.00 O ATOM 354 OE2 GLU A 23 -6.868 -1.606 -4.286 1.00 0.00 O ATOM 0 H GLU A 23 -2.293 0.066 -3.458 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.063 -2.688 -4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.446 -0.452 -5.553 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.726 -2.164 -5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.644 -2.404 -3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.185 -0.766 -3.142 1.00 0.00 H new ATOM 361 N ARG A 24 -0.564 -0.640 -6.103 1.00 0.00 N ATOM 362 CA ARG A 24 0.386 -0.573 -7.208 1.00 0.00 C ATOM 363 C ARG A 24 1.695 -1.266 -6.842 1.00 0.00 C ATOM 364 O ARG A 24 2.090 -2.241 -7.480 1.00 0.00 O ATOM 365 CB ARG A 24 0.657 0.884 -7.587 1.00 0.00 C ATOM 366 CG ARG A 24 1.793 1.053 -8.583 1.00 0.00 C ATOM 367 CD ARG A 24 1.489 2.147 -9.594 1.00 0.00 C ATOM 368 NE ARG A 24 0.850 1.619 -10.797 1.00 0.00 N ATOM 369 CZ ARG A 24 1.480 0.871 -11.696 1.00 0.00 C ATOM 370 NH1 ARG A 24 2.759 0.565 -11.529 1.00 0.00 N ATOM 371 NH2 ARG A 24 0.831 0.428 -12.764 1.00 0.00 N ATOM 0 H ARG A 24 -0.797 0.264 -5.691 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.052 -1.089 -8.063 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.251 1.316 -8.008 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.890 1.448 -6.684 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.713 1.294 -8.050 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.964 0.111 -9.105 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.839 2.893 -9.136 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.414 2.655 -9.868 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.134 1.837 -10.955 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.262 0.904 -10.709 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.240 -0.010 -12.221 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.153 0.662 -12.896 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.316 -0.146 -13.454 1.00 0.00 H new ATOM 385 N GLU A 25 2.362 -0.755 -5.812 1.00 0.00 N ATOM 386 CA GLU A 25 3.627 -1.325 -5.363 1.00 0.00 C ATOM 387 C GLU A 25 3.484 -2.820 -5.090 1.00 0.00 C ATOM 388 O GLU A 25 4.398 -3.601 -5.355 1.00 0.00 O ATOM 389 CB GLU A 25 4.115 -0.610 -4.102 1.00 0.00 C ATOM 390 CG GLU A 25 4.929 0.641 -4.389 1.00 0.00 C ATOM 391 CD GLU A 25 4.334 1.482 -5.501 1.00 0.00 C ATOM 392 OE1 GLU A 25 4.675 1.236 -6.677 1.00 0.00 O ATOM 393 OE2 GLU A 25 3.528 2.385 -5.196 1.00 0.00 O ATOM 0 H GLU A 25 2.048 0.052 -5.273 1.00 0.00 H new ATOM 0 HA GLU A 25 4.360 -1.187 -6.157 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.254 -0.341 -3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.720 -1.300 -3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.998 1.241 -3.482 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.945 0.354 -4.659 1.00 0.00 H new ATOM 400 N TYR A 26 2.330 -3.210 -4.559 1.00 0.00 N ATOM 401 CA TYR A 26 2.067 -4.610 -4.247 1.00 0.00 C ATOM 402 C TYR A 26 1.992 -5.447 -5.520 1.00 0.00 C ATOM 403 O TYR A 26 2.625 -6.497 -5.624 1.00 0.00 O ATOM 404 CB TYR A 26 0.764 -4.742 -3.458 1.00 0.00 C ATOM 405 CG TYR A 26 0.327 -6.174 -3.246 1.00 0.00 C ATOM 406 CD1 TYR A 26 1.144 -7.079 -2.580 1.00 0.00 C ATOM 407 CD2 TYR A 26 -0.903 -6.623 -3.713 1.00 0.00 C ATOM 408 CE1 TYR A 26 0.749 -8.388 -2.385 1.00 0.00 C ATOM 409 CE2 TYR A 26 -1.306 -7.930 -3.521 1.00 0.00 C ATOM 410 CZ TYR A 26 -0.476 -8.809 -2.857 1.00 0.00 C ATOM 411 OH TYR A 26 -0.874 -10.112 -2.664 1.00 0.00 O ATOM 0 H TYR A 26 1.562 -2.577 -4.336 1.00 0.00 H new ATOM 0 HA TYR A 26 2.891 -4.982 -3.638 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.886 -4.261 -2.488 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.025 -4.204 -3.983 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.104 -6.753 -2.208 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.555 -5.938 -4.235 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.397 -9.078 -1.865 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.266 -8.262 -3.889 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.762 -10.244 -3.056 1.00 0.00 H new ATOM 421 N ALA A 27 1.213 -4.973 -6.487 1.00 0.00 N ATOM 422 CA ALA A 27 1.056 -5.675 -7.755 1.00 0.00 C ATOM 423 C ALA A 27 2.398 -5.843 -8.459 1.00 0.00 C ATOM 424 O ALA A 27 2.592 -6.783 -9.229 1.00 0.00 O ATOM 425 CB ALA A 27 0.076 -4.933 -8.651 1.00 0.00 C ATOM 0 H ALA A 27 0.681 -4.106 -6.416 1.00 0.00 H new ATOM 0 HA ALA A 27 0.659 -6.668 -7.546 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.032 -5.468 -9.594 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.893 -4.871 -8.157 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.450 -3.928 -8.845 1.00 0.00 H new ATOM 431 N ALA A 28 3.321 -4.926 -8.190 1.00 0.00 N ATOM 432 CA ALA A 28 4.645 -4.974 -8.797 1.00 0.00 C ATOM 433 C ALA A 28 5.554 -5.949 -8.057 1.00 0.00 C ATOM 434 O ALA A 28 6.371 -6.637 -8.667 1.00 0.00 O ATOM 435 CB ALA A 28 5.266 -3.585 -8.821 1.00 0.00 C ATOM 0 H ALA A 28 3.176 -4.141 -7.555 1.00 0.00 H new ATOM 0 HA ALA A 28 4.534 -5.328 -9.822 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.255 -3.636 -9.277 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.633 -2.913 -9.401 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.356 -3.209 -7.802 1.00 0.00 H new ATOM 441 N ASN A 29 5.406 -6.003 -6.737 1.00 0.00 N ATOM 442 CA ASN A 29 6.215 -6.893 -5.913 1.00 0.00 C ATOM 443 C ASN A 29 5.517 -7.194 -4.590 1.00 0.00 C ATOM 444 O ASN A 29 5.195 -6.286 -3.824 1.00 0.00 O ATOM 445 CB ASN A 29 7.587 -6.271 -5.648 1.00 0.00 C ATOM 446 CG ASN A 29 7.520 -4.762 -5.503 1.00 0.00 C ATOM 447 OD1 ASN A 29 7.917 -4.023 -6.404 1.00 0.00 O ATOM 448 ND2 ASN A 29 7.015 -4.299 -4.366 1.00 0.00 N ATOM 0 H ASN A 29 4.733 -5.441 -6.216 1.00 0.00 H new ATOM 0 HA ASN A 29 6.347 -7.829 -6.456 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.009 -6.702 -4.740 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.262 -6.525 -6.465 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.944 -3.293 -4.212 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.698 -4.949 -3.647 1.00 0.00 H new ATOM 455 N LYS A 30 5.286 -8.476 -4.328 1.00 0.00 N ATOM 456 CA LYS A 30 4.628 -8.899 -3.097 1.00 0.00 C ATOM 457 C LYS A 30 5.318 -8.299 -1.877 1.00 0.00 C ATOM 458 O LYS A 30 4.669 -7.965 -0.885 1.00 0.00 O ATOM 459 CB LYS A 30 4.624 -10.426 -2.995 1.00 0.00 C ATOM 460 CG LYS A 30 3.983 -11.114 -4.189 1.00 0.00 C ATOM 461 CD LYS A 30 2.497 -10.811 -4.274 1.00 0.00 C ATOM 462 CE LYS A 30 1.933 -11.172 -5.640 1.00 0.00 C ATOM 463 NZ LYS A 30 2.026 -12.633 -5.911 1.00 0.00 N ATOM 0 H LYS A 30 5.545 -9.240 -4.952 1.00 0.00 H new ATOM 0 HA LYS A 30 3.599 -8.540 -3.123 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.651 -10.778 -2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.094 -10.720 -2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.475 -10.788 -5.105 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.132 -12.191 -4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.966 -11.367 -3.501 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.328 -9.752 -4.078 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.891 -10.858 -5.697 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.474 -10.624 -6.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.616 -12.840 -6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.024 -12.925 -5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.503 -13.156 -5.180 1.00 0.00 H new ATOM 477 N PHE A 31 6.638 -8.165 -1.956 1.00 0.00 N ATOM 478 CA PHE A 31 7.417 -7.604 -0.858 1.00 0.00 C ATOM 479 C PHE A 31 8.245 -6.413 -1.330 1.00 0.00 C ATOM 480 O PHE A 31 9.138 -6.557 -2.165 1.00 0.00 O ATOM 481 CB PHE A 31 8.335 -8.672 -0.258 1.00 0.00 C ATOM 482 CG PHE A 31 7.601 -9.718 0.531 1.00 0.00 C ATOM 483 CD1 PHE A 31 7.260 -9.493 1.855 1.00 0.00 C ATOM 484 CD2 PHE A 31 7.253 -10.927 -0.050 1.00 0.00 C ATOM 485 CE1 PHE A 31 6.586 -10.455 2.584 1.00 0.00 C ATOM 486 CE2 PHE A 31 6.579 -11.892 0.674 1.00 0.00 C ATOM 487 CZ PHE A 31 6.244 -11.655 1.992 1.00 0.00 C ATOM 0 H PHE A 31 7.191 -8.437 -2.769 1.00 0.00 H new ATOM 0 HA PHE A 31 6.722 -7.260 -0.092 1.00 0.00 H new ATOM 0 HB2 PHE A 31 8.889 -9.157 -1.062 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.068 -8.189 0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.524 -8.556 2.323 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.512 -11.117 -1.081 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.327 -10.268 3.616 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.315 -12.830 0.209 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.715 -12.407 2.559 1.00 0.00 H new ATOM 497 N ILE A 32 7.940 -5.237 -0.791 1.00 0.00 N ATOM 498 CA ILE A 32 8.656 -4.021 -1.156 1.00 0.00 C ATOM 499 C ILE A 32 10.039 -3.984 -0.516 1.00 0.00 C ATOM 500 O ILE A 32 10.413 -4.886 0.235 1.00 0.00 O ATOM 501 CB ILE A 32 7.874 -2.761 -0.739 1.00 0.00 C ATOM 502 CG1 ILE A 32 7.736 -2.702 0.784 1.00 0.00 C ATOM 503 CG2 ILE A 32 6.505 -2.743 -1.402 1.00 0.00 C ATOM 504 CD1 ILE A 32 6.992 -1.480 1.276 1.00 0.00 C ATOM 0 H ILE A 32 7.202 -5.101 -0.100 1.00 0.00 H new ATOM 0 HA ILE A 32 8.762 -4.030 -2.241 1.00 0.00 H new ATOM 0 HB ILE A 32 8.427 -1.882 -1.070 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.217 -3.597 1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.730 -2.717 1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.965 -1.847 -1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.625 -2.743 -2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.942 -3.626 -1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.932 -1.504 2.364 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.522 -0.581 0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.986 -1.474 0.857 1.00 0.00 H new ATOM 516 N THR A 33 10.795 -2.932 -0.815 1.00 0.00 N ATOM 517 CA THR A 33 12.137 -2.776 -0.269 1.00 0.00 C ATOM 518 C THR A 33 12.185 -1.651 0.759 1.00 0.00 C ATOM 519 O THR A 33 11.321 -0.773 0.775 1.00 0.00 O ATOM 520 CB THR A 33 13.166 -2.486 -1.378 1.00 0.00 C ATOM 521 OG1 THR A 33 14.418 -2.105 -0.798 1.00 0.00 O ATOM 522 CG2 THR A 33 12.671 -1.381 -2.299 1.00 0.00 C ATOM 0 H THR A 33 10.500 -2.175 -1.432 1.00 0.00 H new ATOM 0 HA THR A 33 12.392 -3.719 0.215 1.00 0.00 H new ATOM 0 HB THR A 33 13.300 -3.395 -1.965 1.00 0.00 H new ATOM 0 HG1 THR A 33 15.067 -1.924 -1.510 1.00 0.00 H new ATOM 0 HG21 THR A 33 13.414 -1.193 -3.074 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.733 -1.686 -2.762 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.511 -0.470 -1.722 1.00 0.00 H new ATOM 530 N LYS A 34 13.199 -1.681 1.616 1.00 0.00 N ATOM 531 CA LYS A 34 13.361 -0.663 2.647 1.00 0.00 C ATOM 532 C LYS A 34 13.303 0.737 2.044 1.00 0.00 C ATOM 533 O LYS A 34 12.842 1.681 2.685 1.00 0.00 O ATOM 534 CB LYS A 34 14.690 -0.858 3.382 1.00 0.00 C ATOM 535 CG LYS A 34 14.574 -1.712 4.632 1.00 0.00 C ATOM 536 CD LYS A 34 15.935 -1.986 5.249 1.00 0.00 C ATOM 537 CE LYS A 34 16.673 -3.088 4.504 1.00 0.00 C ATOM 538 NZ LYS A 34 17.915 -3.501 5.215 1.00 0.00 N ATOM 0 H LYS A 34 13.922 -2.400 1.617 1.00 0.00 H new ATOM 0 HA LYS A 34 12.541 -0.768 3.357 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.407 -1.319 2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.091 0.118 3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.938 -1.208 5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.089 -2.656 4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 34 16.532 -1.074 5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.811 -2.271 6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.017 -3.951 4.388 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.926 -2.743 3.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.390 -4.253 4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.552 -2.684 5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.672 -3.854 6.162 1.00 0.00 H new ATOM 552 N ASP A 35 13.771 0.862 0.807 1.00 0.00 N ATOM 553 CA ASP A 35 13.770 2.146 0.115 1.00 0.00 C ATOM 554 C ASP A 35 12.356 2.536 -0.305 1.00 0.00 C ATOM 555 O ASP A 35 11.992 3.712 -0.285 1.00 0.00 O ATOM 556 CB ASP A 35 14.682 2.091 -1.111 1.00 0.00 C ATOM 557 CG ASP A 35 15.272 3.444 -1.456 1.00 0.00 C ATOM 558 OD1 ASP A 35 16.082 3.959 -0.658 1.00 0.00 O ATOM 559 OD2 ASP A 35 14.921 3.989 -2.524 1.00 0.00 O ATOM 0 H ASP A 35 14.156 0.090 0.263 1.00 0.00 H new ATOM 0 HA ASP A 35 14.147 2.902 0.804 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.489 1.382 -0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.116 1.716 -1.964 1.00 0.00 H new ATOM 564 N LYS A 36 11.562 1.540 -0.686 1.00 0.00 N ATOM 565 CA LYS A 36 10.188 1.777 -1.111 1.00 0.00 C ATOM 566 C LYS A 36 9.285 2.040 0.090 1.00 0.00 C ATOM 567 O LYS A 36 8.536 3.017 0.112 1.00 0.00 O ATOM 568 CB LYS A 36 9.664 0.578 -1.904 1.00 0.00 C ATOM 569 CG LYS A 36 8.216 0.723 -2.341 1.00 0.00 C ATOM 570 CD LYS A 36 8.005 1.987 -3.158 1.00 0.00 C ATOM 571 CE LYS A 36 8.848 1.980 -4.424 1.00 0.00 C ATOM 572 NZ LYS A 36 8.506 0.834 -5.311 1.00 0.00 N ATOM 0 H LYS A 36 11.847 0.561 -0.709 1.00 0.00 H new ATOM 0 HA LYS A 36 10.179 2.660 -1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.288 0.436 -2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.763 -0.321 -1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.924 -0.146 -2.931 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.570 0.744 -1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.951 2.079 -3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.260 2.858 -2.555 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.699 2.915 -4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.904 1.930 -4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.218 0.754 -6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.491 -0.044 -4.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.569 0.991 -5.735 1.00 0.00 H new ATOM 586 N ARG A 37 9.362 1.164 1.086 1.00 0.00 N ATOM 587 CA ARG A 37 8.551 1.303 2.290 1.00 0.00 C ATOM 588 C ARG A 37 8.699 2.699 2.887 1.00 0.00 C ATOM 589 O ARG A 37 7.774 3.219 3.510 1.00 0.00 O ATOM 590 CB ARG A 37 8.952 0.249 3.324 1.00 0.00 C ATOM 591 CG ARG A 37 7.967 0.120 4.475 1.00 0.00 C ATOM 592 CD ARG A 37 7.904 -1.307 4.996 1.00 0.00 C ATOM 593 NE ARG A 37 9.235 -1.874 5.202 1.00 0.00 N ATOM 594 CZ ARG A 37 9.981 -1.627 6.273 1.00 0.00 C ATOM 595 NH1 ARG A 37 9.529 -0.829 7.231 1.00 0.00 N ATOM 596 NH2 ARG A 37 11.181 -2.180 6.389 1.00 0.00 N ATOM 0 H ARG A 37 9.977 0.351 1.083 1.00 0.00 H new ATOM 0 HA ARG A 37 7.507 1.154 2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.047 -0.717 2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.934 0.500 3.724 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.259 0.791 5.283 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.976 0.432 4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.353 -1.326 5.936 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.351 -1.927 4.290 1.00 0.00 H new ATOM 0 HE ARG A 37 9.612 -2.493 4.484 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.606 -0.403 7.147 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.104 -0.641 8.052 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.532 -2.796 5.655 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.753 -1.990 7.212 1.00 0.00 H new ATOM 610 N ARG A 38 9.869 3.300 2.692 1.00 0.00 N ATOM 611 CA ARG A 38 10.138 4.634 3.213 1.00 0.00 C ATOM 612 C ARG A 38 9.496 5.702 2.331 1.00 0.00 C ATOM 613 O ARG A 38 9.046 6.738 2.820 1.00 0.00 O ATOM 614 CB ARG A 38 11.646 4.874 3.306 1.00 0.00 C ATOM 615 CG ARG A 38 12.315 4.115 4.441 1.00 0.00 C ATOM 616 CD ARG A 38 13.827 4.264 4.395 1.00 0.00 C ATOM 617 NE ARG A 38 14.257 5.610 4.764 1.00 0.00 N ATOM 618 CZ ARG A 38 15.526 6.000 4.769 1.00 0.00 C ATOM 619 NH1 ARG A 38 16.486 5.152 4.427 1.00 0.00 N ATOM 620 NH2 ARG A 38 15.838 7.243 5.117 1.00 0.00 N ATOM 0 H ARG A 38 10.645 2.884 2.177 1.00 0.00 H new ATOM 0 HA ARG A 38 9.704 4.701 4.211 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.110 4.584 2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.828 5.941 3.437 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.941 4.483 5.396 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.050 3.059 4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.283 3.540 5.070 1.00 0.00 H new ATOM 0 HD3 ARG A 38 14.183 4.032 3.391 1.00 0.00 H new ATOM 0 HE ARG A 38 13.543 6.287 5.033 1.00 0.00 H new ATOM 0 HH11 ARG A 38 16.251 4.196 4.159 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.460 5.455 4.432 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.102 7.899 5.381 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.813 7.542 5.121 1.00 0.00 H new ATOM 634 N LYS A 39 9.458 5.441 1.029 1.00 0.00 N ATOM 635 CA LYS A 39 8.871 6.378 0.078 1.00 0.00 C ATOM 636 C LYS A 39 7.349 6.371 0.176 1.00 0.00 C ATOM 637 O LYS A 39 6.717 7.426 0.247 1.00 0.00 O ATOM 638 CB LYS A 39 9.302 6.026 -1.348 1.00 0.00 C ATOM 639 CG LYS A 39 10.762 6.333 -1.635 1.00 0.00 C ATOM 640 CD LYS A 39 10.968 7.801 -1.968 1.00 0.00 C ATOM 641 CE LYS A 39 10.369 8.155 -3.320 1.00 0.00 C ATOM 642 NZ LYS A 39 10.776 9.516 -3.768 1.00 0.00 N ATOM 0 H LYS A 39 9.827 4.588 0.608 1.00 0.00 H new ATOM 0 HA LYS A 39 9.229 7.378 0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.121 4.965 -1.522 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.678 6.575 -2.053 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.368 6.067 -0.769 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.107 5.718 -2.466 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.512 8.418 -1.194 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.034 8.029 -1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.684 7.420 -4.060 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.282 8.102 -3.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.347 9.720 -4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.454 10.221 -3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.812 9.559 -3.849 1.00 0.00 H new ATOM 656 N ILE A 40 6.766 5.177 0.181 1.00 0.00 N ATOM 657 CA ILE A 40 5.319 5.034 0.274 1.00 0.00 C ATOM 658 C ILE A 40 4.769 5.783 1.483 1.00 0.00 C ATOM 659 O ILE A 40 3.678 6.350 1.431 1.00 0.00 O ATOM 660 CB ILE A 40 4.904 3.554 0.369 1.00 0.00 C ATOM 661 CG1 ILE A 40 5.413 2.780 -0.849 1.00 0.00 C ATOM 662 CG2 ILE A 40 3.392 3.434 0.486 1.00 0.00 C ATOM 663 CD1 ILE A 40 5.122 1.297 -0.788 1.00 0.00 C ATOM 0 H ILE A 40 7.274 4.295 0.122 1.00 0.00 H new ATOM 0 HA ILE A 40 4.901 5.462 -0.637 1.00 0.00 H new ATOM 0 HB ILE A 40 5.353 3.123 1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.958 3.194 -1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.489 2.927 -0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.115 2.382 0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.054 3.956 1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.923 3.878 -0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.511 0.813 -1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.600 0.868 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.045 1.140 -0.729 1.00 0.00 H new ATOM 675 N SER A 41 5.532 5.781 2.571 1.00 0.00 N ATOM 676 CA SER A 41 5.121 6.459 3.794 1.00 0.00 C ATOM 677 C SER A 41 4.959 7.958 3.557 1.00 0.00 C ATOM 678 O SER A 41 4.198 8.629 4.254 1.00 0.00 O ATOM 679 CB SER A 41 6.143 6.215 4.906 1.00 0.00 C ATOM 680 OG SER A 41 6.188 7.309 5.806 1.00 0.00 O ATOM 0 H SER A 41 6.438 5.317 2.630 1.00 0.00 H new ATOM 0 HA SER A 41 4.158 6.051 4.099 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.886 5.305 5.448 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.129 6.058 4.470 1.00 0.00 H new ATOM 0 HG SER A 41 5.375 7.316 6.354 1.00 0.00 H new ATOM 686 N ALA A 42 5.680 8.475 2.569 1.00 0.00 N ATOM 687 CA ALA A 42 5.616 9.893 2.237 1.00 0.00 C ATOM 688 C ALA A 42 4.632 10.147 1.099 1.00 0.00 C ATOM 689 O ALA A 42 4.067 11.234 0.986 1.00 0.00 O ATOM 690 CB ALA A 42 6.997 10.412 1.869 1.00 0.00 C ATOM 0 H ALA A 42 6.316 7.933 1.984 1.00 0.00 H new ATOM 0 HA ALA A 42 5.261 10.431 3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.934 11.472 1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.674 10.275 2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.375 9.862 1.007 1.00 0.00 H new ATOM 696 N ALA A 43 4.434 9.137 0.259 1.00 0.00 N ATOM 697 CA ALA A 43 3.518 9.251 -0.869 1.00 0.00 C ATOM 698 C ALA A 43 2.073 9.042 -0.427 1.00 0.00 C ATOM 699 O ALA A 43 1.140 9.526 -1.068 1.00 0.00 O ATOM 700 CB ALA A 43 3.889 8.250 -1.954 1.00 0.00 C ATOM 0 H ALA A 43 4.895 8.231 0.338 1.00 0.00 H new ATOM 0 HA ALA A 43 3.605 10.259 -1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.196 8.346 -2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.904 8.447 -2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.832 7.239 -1.551 1.00 0.00 H new ATOM 706 N THR A 44 1.895 8.318 0.674 1.00 0.00 N ATOM 707 CA THR A 44 0.564 8.044 1.201 1.00 0.00 C ATOM 708 C THR A 44 0.423 8.555 2.631 1.00 0.00 C ATOM 709 O THR A 44 -0.631 8.410 3.250 1.00 0.00 O ATOM 710 CB THR A 44 0.248 6.537 1.173 1.00 0.00 C ATOM 711 OG1 THR A 44 1.181 5.825 1.994 1.00 0.00 O ATOM 712 CG2 THR A 44 0.303 5.999 -0.249 1.00 0.00 C ATOM 0 H THR A 44 2.656 7.911 1.218 1.00 0.00 H new ATOM 0 HA THR A 44 -0.144 8.568 0.559 1.00 0.00 H new ATOM 0 HB THR A 44 -0.760 6.393 1.561 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.092 5.989 1.672 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.076 4.933 -0.244 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.429 6.522 -0.865 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.301 6.156 -0.659 1.00 0.00 H new ATOM 720 N SER A 45 1.491 9.153 3.148 1.00 0.00 N ATOM 721 CA SER A 45 1.486 9.683 4.507 1.00 0.00 C ATOM 722 C SER A 45 1.192 8.580 5.519 1.00 0.00 C ATOM 723 O SER A 45 0.544 8.815 6.540 1.00 0.00 O ATOM 724 CB SER A 45 0.450 10.801 4.638 1.00 0.00 C ATOM 725 OG SER A 45 0.355 11.551 3.439 1.00 0.00 O ATOM 0 H SER A 45 2.370 9.283 2.647 1.00 0.00 H new ATOM 0 HA SER A 45 2.476 10.089 4.716 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.523 10.373 4.881 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.723 11.460 5.462 1.00 0.00 H new ATOM 0 HG SER A 45 -0.315 12.258 3.548 1.00 0.00 H new ATOM 731 N LEU A 46 1.671 7.376 5.228 1.00 0.00 N ATOM 732 CA LEU A 46 1.460 6.235 6.112 1.00 0.00 C ATOM 733 C LEU A 46 2.730 5.906 6.890 1.00 0.00 C ATOM 734 O LEU A 46 3.787 6.490 6.648 1.00 0.00 O ATOM 735 CB LEU A 46 1.013 5.015 5.305 1.00 0.00 C ATOM 736 CG LEU A 46 -0.443 5.018 4.835 1.00 0.00 C ATOM 737 CD1 LEU A 46 -0.612 4.123 3.618 1.00 0.00 C ATOM 738 CD2 LEU A 46 -1.367 4.574 5.959 1.00 0.00 C ATOM 0 H LEU A 46 2.208 7.164 4.387 1.00 0.00 H new ATOM 0 HA LEU A 46 0.678 6.499 6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.656 4.928 4.429 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.177 4.124 5.911 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.712 6.036 4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.654 4.137 3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.022 4.486 2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.325 3.103 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.398 4.582 5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.099 3.565 6.273 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.267 5.256 6.803 1.00 0.00 H new ATOM 750 N SER A 47 2.621 4.965 7.822 1.00 0.00 N ATOM 751 CA SER A 47 3.760 4.559 8.637 1.00 0.00 C ATOM 752 C SER A 47 4.457 3.346 8.029 1.00 0.00 C ATOM 753 O SER A 47 3.829 2.529 7.356 1.00 0.00 O ATOM 754 CB SER A 47 3.307 4.240 10.063 1.00 0.00 C ATOM 755 OG SER A 47 4.313 4.572 11.004 1.00 0.00 O ATOM 0 H SER A 47 1.755 4.469 8.032 1.00 0.00 H new ATOM 0 HA SER A 47 4.468 5.387 8.666 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.395 4.792 10.290 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.066 3.180 10.143 1.00 0.00 H new ATOM 0 HG SER A 47 3.998 4.360 11.908 1.00 0.00 H new ATOM 761 N GLU A 48 5.759 3.235 8.273 1.00 0.00 N ATOM 762 CA GLU A 48 6.542 2.122 7.749 1.00 0.00 C ATOM 763 C GLU A 48 5.914 0.786 8.136 1.00 0.00 C ATOM 764 O GLU A 48 5.956 -0.176 7.368 1.00 0.00 O ATOM 765 CB GLU A 48 7.980 2.192 8.268 1.00 0.00 C ATOM 766 CG GLU A 48 8.630 3.552 8.079 1.00 0.00 C ATOM 767 CD GLU A 48 10.101 3.552 8.448 1.00 0.00 C ATOM 768 OE1 GLU A 48 10.763 2.512 8.251 1.00 0.00 O ATOM 769 OE2 GLU A 48 10.590 4.594 8.934 1.00 0.00 O ATOM 0 H GLU A 48 6.294 3.902 8.830 1.00 0.00 H new ATOM 0 HA GLU A 48 6.552 2.198 6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.987 1.940 9.328 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.579 1.438 7.757 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.520 3.862 7.040 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.106 4.289 8.688 1.00 0.00 H new ATOM 776 N ARG A 49 5.335 0.735 9.330 1.00 0.00 N ATOM 777 CA ARG A 49 4.700 -0.483 9.820 1.00 0.00 C ATOM 778 C ARG A 49 3.322 -0.668 9.192 1.00 0.00 C ATOM 779 O ARG A 49 2.961 -1.770 8.780 1.00 0.00 O ATOM 780 CB ARG A 49 4.576 -0.441 11.344 1.00 0.00 C ATOM 781 CG ARG A 49 4.140 -1.762 11.956 1.00 0.00 C ATOM 782 CD ARG A 49 5.302 -2.737 12.063 1.00 0.00 C ATOM 783 NE ARG A 49 6.349 -2.246 12.954 1.00 0.00 N ATOM 784 CZ ARG A 49 7.566 -2.773 13.019 1.00 0.00 C ATOM 785 NH1 ARG A 49 7.888 -3.803 12.248 1.00 0.00 N ATOM 786 NH2 ARG A 49 8.465 -2.271 13.856 1.00 0.00 N ATOM 0 H ARG A 49 5.292 1.523 9.977 1.00 0.00 H new ATOM 0 HA ARG A 49 5.326 -1.329 9.536 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.537 -0.152 11.770 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.859 0.332 11.621 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.720 -1.585 12.946 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.349 -2.202 11.349 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.937 -3.697 12.428 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.722 -2.911 11.072 1.00 0.00 H new ATOM 0 HE ARG A 49 6.134 -1.454 13.560 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.200 -4.192 11.603 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.824 -4.206 12.300 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.222 -1.479 14.451 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.399 -2.677 13.905 1.00 0.00 H new ATOM 800 N GLN A 50 2.558 0.418 9.123 1.00 0.00 N ATOM 801 CA GLN A 50 1.219 0.374 8.547 1.00 0.00 C ATOM 802 C GLN A 50 1.248 -0.240 7.151 1.00 0.00 C ATOM 803 O GLN A 50 0.529 -1.199 6.869 1.00 0.00 O ATOM 804 CB GLN A 50 0.621 1.780 8.487 1.00 0.00 C ATOM 805 CG GLN A 50 0.182 2.313 9.841 1.00 0.00 C ATOM 806 CD GLN A 50 -0.993 3.265 9.741 1.00 0.00 C ATOM 807 OE1 GLN A 50 -0.877 4.449 10.059 1.00 0.00 O ATOM 808 NE2 GLN A 50 -2.135 2.752 9.298 1.00 0.00 N ATOM 0 H GLN A 50 2.843 1.338 9.458 1.00 0.00 H new ATOM 0 HA GLN A 50 0.595 -0.251 9.186 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.357 2.461 8.059 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.236 1.773 7.813 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.087 1.477 10.486 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.020 2.825 10.315 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.187 1.765 9.045 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.960 3.345 9.210 1.00 0.00 H new ATOM 817 N ILE A 51 2.082 0.320 6.281 1.00 0.00 N ATOM 818 CA ILE A 51 2.204 -0.173 4.915 1.00 0.00 C ATOM 819 C ILE A 51 2.461 -1.676 4.893 1.00 0.00 C ATOM 820 O ILE A 51 1.864 -2.409 4.103 1.00 0.00 O ATOM 821 CB ILE A 51 3.339 0.541 4.158 1.00 0.00 C ATOM 822 CG1 ILE A 51 3.092 2.051 4.131 1.00 0.00 C ATOM 823 CG2 ILE A 51 3.459 -0.006 2.743 1.00 0.00 C ATOM 824 CD1 ILE A 51 4.331 2.860 3.816 1.00 0.00 C ATOM 0 H ILE A 51 2.683 1.115 6.498 1.00 0.00 H new ATOM 0 HA ILE A 51 1.257 0.039 4.418 1.00 0.00 H new ATOM 0 HB ILE A 51 4.277 0.354 4.680 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.325 2.272 3.389 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.699 2.364 5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.266 0.509 2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.676 -1.073 2.783 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.522 0.154 2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.082 3.921 3.814 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.093 2.668 4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.712 2.575 2.836 1.00 0.00 H new ATOM 836 N THR A 52 3.353 -2.131 5.768 1.00 0.00 N ATOM 837 CA THR A 52 3.689 -3.546 5.851 1.00 0.00 C ATOM 838 C THR A 52 2.463 -4.383 6.196 1.00 0.00 C ATOM 839 O THR A 52 2.180 -5.386 5.540 1.00 0.00 O ATOM 840 CB THR A 52 4.784 -3.803 6.903 1.00 0.00 C ATOM 841 OG1 THR A 52 5.974 -3.086 6.557 1.00 0.00 O ATOM 842 CG2 THR A 52 5.095 -5.288 7.010 1.00 0.00 C ATOM 0 H THR A 52 3.856 -1.539 6.429 1.00 0.00 H new ATOM 0 HA THR A 52 4.062 -3.840 4.870 1.00 0.00 H new ATOM 0 HB THR A 52 4.417 -3.454 7.868 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.947 -2.193 6.960 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.871 -5.444 7.759 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.195 -5.828 7.302 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.442 -5.657 6.045 1.00 0.00 H new ATOM 850 N ILE A 53 1.738 -3.966 7.228 1.00 0.00 N ATOM 851 CA ILE A 53 0.541 -4.677 7.658 1.00 0.00 C ATOM 852 C ILE A 53 -0.410 -4.910 6.489 1.00 0.00 C ATOM 853 O ILE A 53 -0.872 -6.029 6.266 1.00 0.00 O ATOM 854 CB ILE A 53 -0.204 -3.907 8.765 1.00 0.00 C ATOM 855 CG1 ILE A 53 0.708 -3.701 9.976 1.00 0.00 C ATOM 856 CG2 ILE A 53 -1.469 -4.651 9.168 1.00 0.00 C ATOM 857 CD1 ILE A 53 0.288 -2.547 10.859 1.00 0.00 C ATOM 0 H ILE A 53 1.959 -3.139 7.782 1.00 0.00 H new ATOM 0 HA ILE A 53 0.870 -5.638 8.053 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.489 -2.929 8.378 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.723 -4.615 10.569 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.727 -3.530 9.629 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.984 -4.095 9.951 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.124 -4.751 8.302 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.206 -5.641 9.540 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.979 -2.460 11.697 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.301 -1.623 10.281 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.719 -2.725 11.236 1.00 0.00 H new ATOM 869 N TRP A 54 -0.695 -3.848 5.745 1.00 0.00 N ATOM 870 CA TRP A 54 -1.590 -3.938 4.596 1.00 0.00 C ATOM 871 C TRP A 54 -1.074 -4.953 3.583 1.00 0.00 C ATOM 872 O TRP A 54 -1.839 -5.759 3.052 1.00 0.00 O ATOM 873 CB TRP A 54 -1.740 -2.568 3.933 1.00 0.00 C ATOM 874 CG TRP A 54 -2.799 -2.534 2.873 1.00 0.00 C ATOM 875 CD1 TRP A 54 -4.123 -2.246 3.046 1.00 0.00 C ATOM 876 CD2 TRP A 54 -2.624 -2.801 1.477 1.00 0.00 C ATOM 877 NE1 TRP A 54 -4.781 -2.317 1.842 1.00 0.00 N ATOM 878 CE2 TRP A 54 -3.884 -2.654 0.864 1.00 0.00 C ATOM 879 CE3 TRP A 54 -1.526 -3.146 0.686 1.00 0.00 C ATOM 880 CZ2 TRP A 54 -4.072 -2.843 -0.503 1.00 0.00 C ATOM 881 CZ3 TRP A 54 -1.714 -3.334 -0.670 1.00 0.00 C ATOM 882 CH2 TRP A 54 -2.979 -3.181 -1.254 1.00 0.00 C ATOM 0 H TRP A 54 -0.320 -2.915 5.916 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.565 -4.271 4.951 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.976 -1.827 4.696 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.786 -2.279 3.493 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.585 -1.999 3.990 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.777 -2.146 1.700 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.547 -3.264 1.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.046 -2.727 -0.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.872 -3.603 -1.290 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.093 -3.333 -2.317 1.00 0.00 H new ATOM 893 N PHE A 55 0.228 -4.910 3.318 1.00 0.00 N ATOM 894 CA PHE A 55 0.845 -5.827 2.367 1.00 0.00 C ATOM 895 C PHE A 55 0.718 -7.271 2.843 1.00 0.00 C ATOM 896 O PHE A 55 0.686 -8.200 2.036 1.00 0.00 O ATOM 897 CB PHE A 55 2.320 -5.472 2.168 1.00 0.00 C ATOM 898 CG PHE A 55 2.565 -4.560 0.999 1.00 0.00 C ATOM 899 CD1 PHE A 55 2.063 -3.269 0.994 1.00 0.00 C ATOM 900 CD2 PHE A 55 3.296 -4.996 -0.094 1.00 0.00 C ATOM 901 CE1 PHE A 55 2.287 -2.428 -0.079 1.00 0.00 C ATOM 902 CE2 PHE A 55 3.523 -4.159 -1.170 1.00 0.00 C ATOM 903 CZ PHE A 55 3.017 -2.874 -1.164 1.00 0.00 C ATOM 0 H PHE A 55 0.876 -4.250 3.749 1.00 0.00 H new ATOM 0 HA PHE A 55 0.323 -5.729 1.415 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.697 -4.997 3.074 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.891 -6.390 2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.490 -2.916 1.839 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.693 -6.000 -0.105 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.892 -1.423 -0.070 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.096 -4.510 -2.016 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.191 -2.219 -2.005 1.00 0.00 H new ATOM 913 N GLN A 56 0.647 -7.451 4.158 1.00 0.00 N ATOM 914 CA GLN A 56 0.525 -8.782 4.741 1.00 0.00 C ATOM 915 C GLN A 56 -0.917 -9.275 4.673 1.00 0.00 C ATOM 916 O GLN A 56 -1.175 -10.415 4.287 1.00 0.00 O ATOM 917 CB GLN A 56 1.005 -8.771 6.193 1.00 0.00 C ATOM 918 CG GLN A 56 2.513 -8.898 6.337 1.00 0.00 C ATOM 919 CD GLN A 56 3.022 -10.273 5.954 1.00 0.00 C ATOM 920 OE1 GLN A 56 2.248 -11.224 5.837 1.00 0.00 O ATOM 921 NE2 GLN A 56 4.330 -10.387 5.757 1.00 0.00 N ATOM 0 H GLN A 56 0.672 -6.692 4.839 1.00 0.00 H new ATOM 0 HA GLN A 56 1.150 -9.463 4.164 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.680 -7.845 6.667 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.527 -9.590 6.731 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.998 -8.148 5.712 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.795 -8.685 7.368 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.935 -9.573 5.865 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.730 -11.289 5.498 1.00 0.00 H new ATOM 930 N ASN A 57 -1.852 -8.410 5.052 1.00 0.00 N ATOM 931 CA ASN A 57 -3.268 -8.759 5.035 1.00 0.00 C ATOM 932 C ASN A 57 -3.752 -9.000 3.608 1.00 0.00 C ATOM 933 O ASN A 57 -4.718 -9.729 3.384 1.00 0.00 O ATOM 934 CB ASN A 57 -4.096 -7.649 5.685 1.00 0.00 C ATOM 935 CG ASN A 57 -4.256 -7.848 7.180 1.00 0.00 C ATOM 936 OD1 ASN A 57 -5.029 -8.698 7.625 1.00 0.00 O ATOM 937 ND2 ASN A 57 -3.526 -7.063 7.963 1.00 0.00 N ATOM 0 H ASN A 57 -1.655 -7.463 5.375 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.396 -9.680 5.604 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.619 -6.687 5.498 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.080 -7.613 5.218 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.592 -7.150 8.977 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.899 -6.373 7.551 1.00 0.00 H new ATOM 944 N ARG A 58 -3.072 -8.384 2.647 1.00 0.00 N ATOM 945 CA ARG A 58 -3.433 -8.530 1.242 1.00 0.00 C ATOM 946 C ARG A 58 -3.041 -9.910 0.721 1.00 0.00 C ATOM 947 O ARG A 58 -3.762 -10.512 -0.075 1.00 0.00 O ATOM 948 CB ARG A 58 -2.754 -7.446 0.403 1.00 0.00 C ATOM 949 CG ARG A 58 -3.271 -7.367 -1.024 1.00 0.00 C ATOM 950 CD ARG A 58 -4.766 -7.096 -1.061 1.00 0.00 C ATOM 951 NE ARG A 58 -5.148 -6.009 -0.163 1.00 0.00 N ATOM 952 CZ ARG A 58 -6.386 -5.822 0.280 1.00 0.00 C ATOM 953 NH1 ARG A 58 -7.358 -6.646 -0.090 1.00 0.00 N ATOM 954 NH2 ARG A 58 -6.655 -4.810 1.095 1.00 0.00 N ATOM 0 H ARG A 58 -2.268 -7.779 2.815 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.514 -8.421 1.158 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.899 -6.480 0.887 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.681 -7.634 0.382 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.744 -6.578 -1.560 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.057 -8.302 -1.542 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.064 -6.846 -2.079 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.305 -8.002 -0.784 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.424 -5.358 0.141 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.155 -7.425 -0.716 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.308 -6.500 0.252 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.911 -4.175 1.382 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.606 -4.668 1.434 1.00 0.00 H new ATOM 968 N ARG A 59 -1.894 -10.405 1.176 1.00 0.00 N ATOM 969 CA ARG A 59 -1.406 -11.713 0.755 1.00 0.00 C ATOM 970 C ARG A 59 -2.054 -12.824 1.575 1.00 0.00 C ATOM 971 O ARG A 59 -2.623 -13.767 1.023 1.00 0.00 O ATOM 972 CB ARG A 59 0.116 -11.782 0.894 1.00 0.00 C ATOM 973 CG ARG A 59 0.862 -11.032 -0.197 1.00 0.00 C ATOM 974 CD ARG A 59 2.261 -10.640 0.253 1.00 0.00 C ATOM 975 NE ARG A 59 2.971 -11.757 0.869 1.00 0.00 N ATOM 976 CZ ARG A 59 3.421 -12.807 0.191 1.00 0.00 C ATOM 977 NH1 ARG A 59 3.236 -12.881 -1.120 1.00 0.00 N ATOM 978 NH2 ARG A 59 4.058 -13.784 0.823 1.00 0.00 N ATOM 0 H ARG A 59 -1.286 -9.920 1.836 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.675 -11.854 -0.292 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.403 -11.375 1.864 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.426 -12.827 0.882 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.927 -11.655 -1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.303 -10.138 -0.473 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.829 -10.278 -0.604 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.196 -9.816 0.964 1.00 0.00 H new ATOM 0 HE ARG A 59 3.130 -11.730 1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.748 -12.131 -1.609 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.582 -13.688 -1.639 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.203 -13.730 1.831 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.403 -14.589 0.301 1.00 0.00 H new ATOM 992 N VAL A 60 -1.963 -12.708 2.896 1.00 0.00 N ATOM 993 CA VAL A 60 -2.540 -13.703 3.792 1.00 0.00 C ATOM 994 C VAL A 60 -4.013 -13.937 3.477 1.00 0.00 C ATOM 995 O VAL A 60 -4.546 -15.022 3.714 1.00 0.00 O ATOM 996 CB VAL A 60 -2.404 -13.277 5.266 1.00 0.00 C ATOM 997 CG1 VAL A 60 -2.974 -14.345 6.186 1.00 0.00 C ATOM 998 CG2 VAL A 60 -0.948 -12.991 5.605 1.00 0.00 C ATOM 0 H VAL A 60 -1.495 -11.935 3.369 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.986 -14.629 3.636 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.975 -12.361 5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.869 -14.026 7.223 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.029 -14.496 5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.433 -15.280 6.037 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.870 -12.691 6.650 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.353 -13.889 5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.577 -12.188 4.969 1.00 0.00 H new ATOM 1008 N LYS A 61 -4.668 -12.913 2.941 1.00 0.00 N ATOM 1009 CA LYS A 61 -6.081 -13.007 2.590 1.00 0.00 C ATOM 1010 C LYS A 61 -6.342 -14.219 1.703 1.00 0.00 C ATOM 1011 O LYS A 61 -7.116 -15.106 2.061 1.00 0.00 O ATOM 1012 CB LYS A 61 -6.536 -11.732 1.877 1.00 0.00 C ATOM 1013 CG LYS A 61 -7.933 -11.829 1.290 1.00 0.00 C ATOM 1014 CD LYS A 61 -8.391 -10.498 0.716 1.00 0.00 C ATOM 1015 CE LYS A 61 -7.947 -10.332 -0.729 1.00 0.00 C ATOM 1016 NZ LYS A 61 -8.856 -11.041 -1.673 1.00 0.00 N ATOM 0 H LYS A 61 -4.243 -12.008 2.740 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.652 -13.124 3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.504 -10.901 2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.831 -11.501 1.079 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.948 -12.588 0.508 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.631 -12.153 2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.477 -10.430 0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.988 -9.683 1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.917 -9.272 -0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.933 -10.715 -0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.520 -10.904 -2.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.865 -12.057 -1.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.819 -10.658 -1.582 1.00 0.00 H new ATOM 1030 N GLU A 62 -5.690 -14.251 0.545 1.00 0.00 N ATOM 1031 CA GLU A 62 -5.853 -15.356 -0.393 1.00 0.00 C ATOM 1032 C GLU A 62 -5.309 -16.654 0.197 1.00 0.00 C ATOM 1033 O GLU A 62 -5.764 -17.745 -0.147 1.00 0.00 O ATOM 1034 CB GLU A 62 -5.142 -15.044 -1.711 1.00 0.00 C ATOM 1035 CG GLU A 62 -3.681 -14.665 -1.540 1.00 0.00 C ATOM 1036 CD GLU A 62 -2.879 -14.841 -2.815 1.00 0.00 C ATOM 1037 OE1 GLU A 62 -3.140 -14.103 -3.788 1.00 0.00 O ATOM 1038 OE2 GLU A 62 -1.990 -15.718 -2.839 1.00 0.00 O ATOM 0 H GLU A 62 -5.044 -13.525 0.234 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.918 -15.483 -0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.209 -15.914 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.664 -14.228 -2.211 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.615 -13.627 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.241 -15.276 -0.751 1.00 0.00 H new ATOM 1045 N LYS A 63 -4.330 -16.528 1.087 1.00 0.00 N ATOM 1046 CA LYS A 63 -3.722 -17.689 1.726 1.00 0.00 C ATOM 1047 C LYS A 63 -4.733 -18.417 2.607 1.00 0.00 C ATOM 1048 O LYS A 63 -4.633 -19.626 2.817 1.00 0.00 O ATOM 1049 CB LYS A 63 -2.515 -17.262 2.564 1.00 0.00 C ATOM 1050 CG LYS A 63 -1.312 -16.852 1.732 1.00 0.00 C ATOM 1051 CD LYS A 63 -0.585 -18.062 1.168 1.00 0.00 C ATOM 1052 CE LYS A 63 0.844 -17.721 0.775 1.00 0.00 C ATOM 1053 NZ LYS A 63 1.474 -18.809 -0.023 1.00 0.00 N ATOM 0 H LYS A 63 -3.941 -15.633 1.382 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.390 -18.371 0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.804 -16.429 3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.229 -18.084 3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.636 -16.208 0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.626 -16.268 2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.579 -18.862 1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.123 -18.438 0.298 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.851 -16.796 0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.435 -17.541 1.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.447 -18.539 -0.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.490 -19.685 0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.925 -18.964 -0.893 1.00 0.00 H new ATOM 1067 N LYS A 64 -5.708 -17.673 3.119 1.00 0.00 N ATOM 1068 CA LYS A 64 -6.740 -18.247 3.975 1.00 0.00 C ATOM 1069 C LYS A 64 -7.494 -19.356 3.248 1.00 0.00 C ATOM 1070 O LYS A 64 -7.920 -19.185 2.106 1.00 0.00 O ATOM 1071 CB LYS A 64 -7.718 -17.162 4.427 1.00 0.00 C ATOM 1072 CG LYS A 64 -8.580 -17.573 5.609 1.00 0.00 C ATOM 1073 CD LYS A 64 -7.892 -17.277 6.931 1.00 0.00 C ATOM 1074 CE LYS A 64 -7.033 -18.446 7.387 1.00 0.00 C ATOM 1075 NZ LYS A 64 -6.867 -18.469 8.866 1.00 0.00 N ATOM 0 H LYS A 64 -5.805 -16.671 2.956 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.254 -18.676 4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.156 -16.266 4.692 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.365 -16.897 3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.532 -17.044 5.567 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.803 -18.638 5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.272 -16.387 6.828 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.642 -17.057 7.691 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.488 -19.381 7.058 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.054 -18.384 6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.275 -19.280 9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.410 -17.588 9.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.799 -18.554 9.319 1.00 0.00 H new ATOM 1089 N SER A 65 -7.657 -20.492 3.918 1.00 0.00 N ATOM 1090 CA SER A 65 -8.359 -21.630 3.335 1.00 0.00 C ATOM 1091 C SER A 65 -9.818 -21.283 3.055 1.00 0.00 C ATOM 1092 O SER A 65 -10.460 -20.577 3.832 1.00 0.00 O ATOM 1093 CB SER A 65 -8.281 -22.838 4.270 1.00 0.00 C ATOM 1094 OG SER A 65 -8.556 -24.041 3.573 1.00 0.00 O ATOM 0 H SER A 65 -7.313 -20.649 4.865 1.00 0.00 H new ATOM 0 HA SER A 65 -7.875 -21.879 2.391 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.289 -22.892 4.717 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.993 -22.716 5.087 1.00 0.00 H new ATOM 0 HG SER A 65 -8.498 -24.798 4.192 1.00 0.00 H new ATOM 1100 N GLY A 66 -10.335 -21.785 1.938 1.00 0.00 N ATOM 1101 CA GLY A 66 -11.715 -21.518 1.574 1.00 0.00 C ATOM 1102 C GLY A 66 -11.944 -20.068 1.197 1.00 0.00 C ATOM 1103 O GLY A 66 -11.062 -19.221 1.336 1.00 0.00 O ATOM 0 H GLY A 66 -9.824 -22.372 1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.997 -22.157 0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.365 -21.780 2.409 1.00 0.00 H new ATOM 1107 N PRO A 67 -13.155 -19.765 0.705 1.00 0.00 N ATOM 1108 CA PRO A 67 -13.525 -18.407 0.295 1.00 0.00 C ATOM 1109 C PRO A 67 -13.662 -17.460 1.483 1.00 0.00 C ATOM 1110 O PRO A 67 -13.587 -17.882 2.637 1.00 0.00 O ATOM 1111 CB PRO A 67 -14.879 -18.601 -0.393 1.00 0.00 C ATOM 1112 CG PRO A 67 -15.436 -19.843 0.212 1.00 0.00 C ATOM 1113 CD PRO A 67 -14.255 -20.724 0.512 1.00 0.00 C ATOM 0 HA PRO A 67 -12.768 -17.953 -0.344 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.536 -17.748 -0.222 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.764 -18.703 -1.472 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -15.995 -19.618 1.120 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.126 -20.335 -0.473 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.421 -21.329 1.403 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.049 -21.413 -0.307 1.00 0.00 H new ATOM 1121 N SER A 68 -13.865 -16.179 1.192 1.00 0.00 N ATOM 1122 CA SER A 68 -14.009 -15.172 2.237 1.00 0.00 C ATOM 1123 C SER A 68 -14.803 -13.972 1.729 1.00 0.00 C ATOM 1124 O SER A 68 -14.948 -13.775 0.522 1.00 0.00 O ATOM 1125 CB SER A 68 -12.634 -14.716 2.729 1.00 0.00 C ATOM 1126 OG SER A 68 -12.754 -13.798 3.801 1.00 0.00 O ATOM 0 H SER A 68 -13.933 -15.814 0.242 1.00 0.00 H new ATOM 0 HA SER A 68 -14.553 -15.621 3.067 1.00 0.00 H new ATOM 0 HB2 SER A 68 -12.054 -15.581 3.050 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.086 -14.252 1.909 1.00 0.00 H new ATOM 0 HG SER A 68 -11.861 -13.523 4.098 1.00 0.00 H new ATOM 1132 N SER A 69 -15.317 -13.174 2.659 1.00 0.00 N ATOM 1133 CA SER A 69 -16.101 -11.996 2.307 1.00 0.00 C ATOM 1134 C SER A 69 -15.606 -10.768 3.065 1.00 0.00 C ATOM 1135 O SER A 69 -15.559 -10.760 4.295 1.00 0.00 O ATOM 1136 CB SER A 69 -17.582 -12.233 2.610 1.00 0.00 C ATOM 1137 OG SER A 69 -18.396 -11.283 1.945 1.00 0.00 O ATOM 0 H SER A 69 -15.205 -13.322 3.662 1.00 0.00 H new ATOM 0 HA SER A 69 -15.980 -11.816 1.239 1.00 0.00 H new ATOM 0 HB2 SER A 69 -17.864 -13.239 2.299 1.00 0.00 H new ATOM 0 HB3 SER A 69 -17.751 -12.172 3.685 1.00 0.00 H new ATOM 0 HG SER A 69 -19.338 -11.457 2.153 1.00 0.00 H new ATOM 1143 N GLY A 70 -15.236 -9.729 2.321 1.00 0.00 N ATOM 1144 CA GLY A 70 -14.749 -8.510 2.939 1.00 0.00 C ATOM 1145 C GLY A 70 -15.290 -7.264 2.268 1.00 0.00 C ATOM 1146 O GLY A 70 -14.757 -6.815 1.253 1.00 0.00 O ATOM 0 H GLY A 70 -15.265 -9.711 1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -15.030 -8.503 3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.660 -8.496 2.900 1.00 0.00 H new TER 1150 GLY A 70