USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 739 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 58 ASN : amide:sc= 0.542 K(o=0.54,f=-5.5!) USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 16 SER OG : rot -94:sc= 0.00419 USER MOD Set 2.2: A 17 ASN : amide:sc= -0.296 K(o=-0.29,f=-1.8) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0973 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 34:sc= 0.0703 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 5:sc= 0.0836 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot -44:sc= 0.00497 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.548 X(o=-0.55,f=-0.33) USER MOD Single : A 35 LYS NZ :NH3+ -124:sc= -0.0112 (180deg=-2.43!) USER MOD Single : A 41 SER OG : rot -108:sc= 0.757 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.14) USER MOD Single : A 51 ASN : amide:sc= -1.99! C(o=-2!,f=-7.1!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0.00377 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -1.14 F(o=-2.4!,f=-1.1) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -161:sc= 0.0947 (180deg=-0.0444) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.652 -6.435 -25.711 1.00 0.00 N ATOM 2 CA GLY A 1 -7.418 -6.503 -24.280 1.00 0.00 C ATOM 3 C GLY A 1 -8.270 -7.558 -23.603 1.00 0.00 C ATOM 4 O GLY A 1 -9.032 -8.267 -24.261 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.779 -6.684 -26.218 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.406 -7.102 -25.972 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.939 -5.470 -25.970 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.365 -6.718 -24.097 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.627 -5.531 -23.834 1.00 0.00 H new ATOM 8 N SER A 2 -8.140 -7.665 -22.284 1.00 0.00 N ATOM 9 CA SER A 2 -8.900 -8.645 -21.518 1.00 0.00 C ATOM 10 C SER A 2 -10.190 -8.034 -20.981 1.00 0.00 C ATOM 11 O SER A 2 -10.329 -6.813 -20.911 1.00 0.00 O ATOM 12 CB SER A 2 -8.057 -9.183 -20.360 1.00 0.00 C ATOM 13 OG SER A 2 -6.986 -9.980 -20.836 1.00 0.00 O ATOM 0 H SER A 2 -7.515 -7.085 -21.724 1.00 0.00 H new ATOM 0 HA SER A 2 -9.158 -9.468 -22.184 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.664 -8.351 -19.775 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.685 -9.773 -19.692 1.00 0.00 H new ATOM 0 HG SER A 2 -6.462 -10.310 -20.077 1.00 0.00 H new ATOM 19 N SER A 3 -11.133 -8.892 -20.604 1.00 0.00 N ATOM 20 CA SER A 3 -12.414 -8.438 -20.078 1.00 0.00 C ATOM 21 C SER A 3 -12.385 -8.381 -18.553 1.00 0.00 C ATOM 22 O SER A 3 -12.016 -9.350 -17.892 1.00 0.00 O ATOM 23 CB SER A 3 -13.539 -9.365 -20.544 1.00 0.00 C ATOM 24 OG SER A 3 -13.220 -10.721 -20.287 1.00 0.00 O ATOM 0 H SER A 3 -11.033 -9.906 -20.653 1.00 0.00 H new ATOM 0 HA SER A 3 -12.600 -7.434 -20.459 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.466 -9.103 -20.034 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.712 -9.225 -21.611 1.00 0.00 H new ATOM 0 HG SER A 3 -12.697 -10.783 -19.460 1.00 0.00 H new ATOM 30 N GLY A 4 -12.779 -7.237 -18.002 1.00 0.00 N ATOM 31 CA GLY A 4 -12.791 -7.073 -16.560 1.00 0.00 C ATOM 32 C GLY A 4 -11.396 -6.998 -15.974 1.00 0.00 C ATOM 33 O GLY A 4 -10.474 -7.652 -16.462 1.00 0.00 O ATOM 0 H GLY A 4 -13.090 -6.421 -18.529 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.338 -6.165 -16.305 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.328 -7.907 -16.107 1.00 0.00 H new ATOM 37 N SER A 5 -11.239 -6.197 -14.924 1.00 0.00 N ATOM 38 CA SER A 5 -9.944 -6.034 -14.274 1.00 0.00 C ATOM 39 C SER A 5 -10.087 -6.097 -12.756 1.00 0.00 C ATOM 40 O SER A 5 -11.183 -5.945 -12.218 1.00 0.00 O ATOM 41 CB SER A 5 -9.307 -4.705 -14.683 1.00 0.00 C ATOM 42 OG SER A 5 -10.037 -3.608 -14.162 1.00 0.00 O ATOM 0 H SER A 5 -11.992 -5.651 -14.506 1.00 0.00 H new ATOM 0 HA SER A 5 -9.298 -6.851 -14.595 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.279 -4.665 -14.324 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.268 -4.636 -15.770 1.00 0.00 H new ATOM 0 HG SER A 5 -9.609 -2.770 -14.436 1.00 0.00 H new ATOM 48 N SER A 6 -8.970 -6.321 -12.072 1.00 0.00 N ATOM 49 CA SER A 6 -8.969 -6.408 -10.616 1.00 0.00 C ATOM 50 C SER A 6 -7.669 -5.856 -10.039 1.00 0.00 C ATOM 51 O SER A 6 -6.594 -6.051 -10.605 1.00 0.00 O ATOM 52 CB SER A 6 -9.164 -7.859 -10.170 1.00 0.00 C ATOM 53 OG SER A 6 -10.494 -8.288 -10.399 1.00 0.00 O ATOM 0 H SER A 6 -8.054 -6.446 -12.502 1.00 0.00 H new ATOM 0 HA SER A 6 -9.796 -5.806 -10.240 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.472 -8.505 -10.710 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.926 -7.952 -9.110 1.00 0.00 H new ATOM 0 HG SER A 6 -10.988 -7.585 -10.871 1.00 0.00 H new ATOM 59 N GLY A 7 -7.776 -5.167 -8.907 1.00 0.00 N ATOM 60 CA GLY A 7 -6.603 -4.597 -8.272 1.00 0.00 C ATOM 61 C GLY A 7 -6.264 -3.221 -8.808 1.00 0.00 C ATOM 62 O GLY A 7 -5.889 -3.076 -9.972 1.00 0.00 O ATOM 0 H GLY A 7 -8.655 -4.994 -8.419 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.771 -4.533 -7.197 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.753 -5.262 -8.423 1.00 0.00 H new ATOM 66 N ARG A 8 -6.397 -2.207 -7.959 1.00 0.00 N ATOM 67 CA ARG A 8 -6.104 -0.835 -8.355 1.00 0.00 C ATOM 68 C ARG A 8 -4.615 -0.535 -8.216 1.00 0.00 C ATOM 69 O ARG A 8 -3.875 -1.288 -7.583 1.00 0.00 O ATOM 70 CB ARG A 8 -6.915 0.147 -7.507 1.00 0.00 C ATOM 71 CG ARG A 8 -6.546 0.127 -6.033 1.00 0.00 C ATOM 72 CD ARG A 8 -7.369 1.129 -5.239 1.00 0.00 C ATOM 73 NE ARG A 8 -7.068 2.507 -5.619 1.00 0.00 N ATOM 74 CZ ARG A 8 -7.643 3.130 -6.642 1.00 0.00 C ATOM 75 NH1 ARG A 8 -8.545 2.501 -7.383 1.00 0.00 N ATOM 76 NH2 ARG A 8 -7.317 4.384 -6.925 1.00 0.00 N ATOM 0 H ARG A 8 -6.706 -2.310 -6.992 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.384 -0.718 -9.402 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.770 1.155 -7.895 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.975 -0.086 -7.611 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.703 -0.874 -5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.486 0.354 -5.919 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.430 0.933 -5.396 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.175 0.996 -4.175 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.379 3.019 -5.069 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.799 1.537 -7.168 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.985 2.981 -8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.624 4.871 -6.357 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.759 4.861 -7.711 1.00 0.00 H new ATOM 90 N VAL A 9 -4.181 0.571 -8.813 1.00 0.00 N ATOM 91 CA VAL A 9 -2.780 0.972 -8.755 1.00 0.00 C ATOM 92 C VAL A 9 -2.613 2.277 -7.986 1.00 0.00 C ATOM 93 O VAL A 9 -3.070 3.333 -8.426 1.00 0.00 O ATOM 94 CB VAL A 9 -2.186 1.140 -10.166 1.00 0.00 C ATOM 95 CG1 VAL A 9 -0.758 1.659 -10.087 1.00 0.00 C ATOM 96 CG2 VAL A 9 -2.243 -0.175 -10.929 1.00 0.00 C ATOM 0 H VAL A 9 -4.779 1.205 -9.342 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.244 0.177 -8.236 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.784 1.873 -10.707 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.355 1.771 -11.094 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.749 2.625 -9.583 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.145 0.953 -9.528 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.819 -0.037 -11.924 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.671 -0.932 -10.392 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.280 -0.499 -11.018 1.00 0.00 H new ATOM 106 N VAL A 10 -1.954 2.199 -6.834 1.00 0.00 N ATOM 107 CA VAL A 10 -1.725 3.375 -6.003 1.00 0.00 C ATOM 108 C VAL A 10 -0.308 3.908 -6.184 1.00 0.00 C ATOM 109 O VAL A 10 0.632 3.142 -6.399 1.00 0.00 O ATOM 110 CB VAL A 10 -1.958 3.063 -4.513 1.00 0.00 C ATOM 111 CG1 VAL A 10 -2.051 4.350 -3.706 1.00 0.00 C ATOM 112 CG2 VAL A 10 -3.213 2.222 -4.335 1.00 0.00 C ATOM 0 H VAL A 10 -1.569 1.334 -6.455 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.439 4.133 -6.324 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.108 2.490 -4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.216 4.110 -2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.122 4.912 -3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.882 4.952 -4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.362 2.011 -3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.074 2.767 -4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.103 1.284 -4.880 1.00 0.00 H new ATOM 122 N VAL A 11 -0.161 5.226 -6.094 1.00 0.00 N ATOM 123 CA VAL A 11 1.142 5.862 -6.246 1.00 0.00 C ATOM 124 C VAL A 11 1.310 7.013 -5.261 1.00 0.00 C ATOM 125 O VAL A 11 0.537 7.971 -5.273 1.00 0.00 O ATOM 126 CB VAL A 11 1.344 6.393 -7.678 1.00 0.00 C ATOM 127 CG1 VAL A 11 2.712 7.042 -7.819 1.00 0.00 C ATOM 128 CG2 VAL A 11 1.170 5.271 -8.691 1.00 0.00 C ATOM 0 H VAL A 11 -0.928 5.874 -5.917 1.00 0.00 H new ATOM 0 HA VAL A 11 1.892 5.099 -6.040 1.00 0.00 H new ATOM 0 HB VAL A 11 0.587 7.152 -7.876 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.836 7.411 -8.837 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.794 7.874 -7.119 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.487 6.307 -7.602 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.316 5.663 -9.697 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.903 4.488 -8.497 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.166 4.856 -8.606 1.00 0.00 H new ATOM 138 N ILE A 12 2.325 6.912 -4.410 1.00 0.00 N ATOM 139 CA ILE A 12 2.596 7.946 -3.418 1.00 0.00 C ATOM 140 C ILE A 12 4.054 8.389 -3.470 1.00 0.00 C ATOM 141 O ILE A 12 4.939 7.611 -3.825 1.00 0.00 O ATOM 142 CB ILE A 12 2.269 7.459 -1.994 1.00 0.00 C ATOM 143 CG1 ILE A 12 0.913 6.751 -1.972 1.00 0.00 C ATOM 144 CG2 ILE A 12 2.277 8.628 -1.020 1.00 0.00 C ATOM 145 CD1 ILE A 12 0.792 5.711 -0.880 1.00 0.00 C ATOM 0 H ILE A 12 2.973 6.125 -4.387 1.00 0.00 H new ATOM 0 HA ILE A 12 1.953 8.792 -3.660 1.00 0.00 H new ATOM 0 HB ILE A 12 3.035 6.747 -1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.126 7.494 -1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.746 6.274 -2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.044 8.268 -0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.263 9.094 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.530 9.361 -1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.195 5.250 -0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.556 4.947 -1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.927 6.186 0.092 1.00 0.00 H new ATOM 157 N LYS A 13 4.297 9.645 -3.112 1.00 0.00 N ATOM 158 CA LYS A 13 5.648 10.194 -3.114 1.00 0.00 C ATOM 159 C LYS A 13 5.959 10.881 -1.788 1.00 0.00 C ATOM 160 O LYS A 13 5.403 11.935 -1.478 1.00 0.00 O ATOM 161 CB LYS A 13 5.817 11.186 -4.267 1.00 0.00 C ATOM 162 CG LYS A 13 4.944 10.875 -5.470 1.00 0.00 C ATOM 163 CD LYS A 13 5.018 11.977 -6.513 1.00 0.00 C ATOM 164 CE LYS A 13 4.209 11.627 -7.753 1.00 0.00 C ATOM 165 NZ LYS A 13 4.229 12.726 -8.757 1.00 0.00 N ATOM 0 H LYS A 13 3.575 10.303 -2.816 1.00 0.00 H new ATOM 0 HA LYS A 13 6.347 9.369 -3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.584 12.189 -3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.861 11.193 -4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.258 9.931 -5.914 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.911 10.747 -5.147 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.647 12.909 -6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.058 12.146 -6.792 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.608 10.718 -8.202 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.179 11.415 -7.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.667 12.449 -9.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.825 13.587 -8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.210 12.911 -9.050 1.00 0.00 H new ATOM 179 N LYS A 14 6.851 10.278 -1.010 1.00 0.00 N ATOM 180 CA LYS A 14 7.238 10.833 0.282 1.00 0.00 C ATOM 181 C LYS A 14 7.244 12.357 0.240 1.00 0.00 C ATOM 182 O LYS A 14 7.788 12.960 -0.684 1.00 0.00 O ATOM 183 CB LYS A 14 8.621 10.318 0.687 1.00 0.00 C ATOM 184 CG LYS A 14 8.818 10.221 2.191 1.00 0.00 C ATOM 185 CD LYS A 14 10.179 9.642 2.539 1.00 0.00 C ATOM 186 CE LYS A 14 10.143 8.121 2.578 1.00 0.00 C ATOM 187 NZ LYS A 14 11.509 7.538 2.688 1.00 0.00 N ATOM 0 H LYS A 14 7.320 9.405 -1.251 1.00 0.00 H new ATOM 0 HA LYS A 14 6.505 10.511 1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.777 9.334 0.244 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.382 10.979 0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.718 11.211 2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.035 9.597 2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.914 9.971 1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.502 10.025 3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.539 7.793 3.424 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.659 7.746 1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.443 6.500 2.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.078 7.830 1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.961 7.876 3.561 1.00 0.00 H new ATOM 201 N GLY A 15 6.636 12.975 1.248 1.00 0.00 N ATOM 202 CA GLY A 15 6.584 14.424 1.307 1.00 0.00 C ATOM 203 C GLY A 15 7.335 14.983 2.500 1.00 0.00 C ATOM 204 O GLY A 15 8.560 15.104 2.469 1.00 0.00 O ATOM 0 H GLY A 15 6.179 12.498 2.025 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.005 14.837 0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.544 14.746 1.353 1.00 0.00 H new ATOM 208 N SER A 16 6.600 15.327 3.552 1.00 0.00 N ATOM 209 CA SER A 16 7.204 15.881 4.758 1.00 0.00 C ATOM 210 C SER A 16 7.083 14.905 5.924 1.00 0.00 C ATOM 211 O SER A 16 8.071 14.579 6.580 1.00 0.00 O ATOM 212 CB SER A 16 6.540 17.212 5.121 1.00 0.00 C ATOM 213 OG SER A 16 6.873 17.604 6.441 1.00 0.00 O ATOM 0 H SER A 16 5.585 15.232 3.594 1.00 0.00 H new ATOM 0 HA SER A 16 8.262 16.053 4.559 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.856 17.983 4.419 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.458 17.120 5.028 1.00 0.00 H new ATOM 0 HG SER A 16 6.181 17.291 7.060 1.00 0.00 H new ATOM 219 N ASN A 17 5.863 14.443 6.177 1.00 0.00 N ATOM 220 CA ASN A 17 5.611 13.504 7.264 1.00 0.00 C ATOM 221 C ASN A 17 5.478 12.080 6.734 1.00 0.00 C ATOM 222 O ASN A 17 4.579 11.340 7.130 1.00 0.00 O ATOM 223 CB ASN A 17 4.342 13.898 8.022 1.00 0.00 C ATOM 224 CG ASN A 17 4.255 15.392 8.268 1.00 0.00 C ATOM 225 OD1 ASN A 17 4.112 16.179 7.332 1.00 0.00 O ATOM 226 ND2 ASN A 17 4.343 15.790 9.532 1.00 0.00 N ATOM 0 H ASN A 17 5.033 14.704 5.644 1.00 0.00 H new ATOM 0 HA ASN A 17 6.460 13.541 7.946 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.469 13.574 7.456 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.315 13.373 8.977 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.292 16.783 9.759 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.461 15.102 10.276 1.00 0.00 H new ATOM 233 N GLY A 18 6.382 11.702 5.834 1.00 0.00 N ATOM 234 CA GLY A 18 6.349 10.368 5.265 1.00 0.00 C ATOM 235 C GLY A 18 5.277 10.217 4.204 1.00 0.00 C ATOM 236 O GLY A 18 4.867 11.197 3.581 1.00 0.00 O ATOM 0 H GLY A 18 7.136 12.296 5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.322 10.138 4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.175 9.642 6.059 1.00 0.00 H new ATOM 240 N TYR A 19 4.822 8.986 3.995 1.00 0.00 N ATOM 241 CA TYR A 19 3.794 8.710 2.999 1.00 0.00 C ATOM 242 C TYR A 19 2.409 9.058 3.535 1.00 0.00 C ATOM 243 O TYR A 19 1.689 9.866 2.950 1.00 0.00 O ATOM 244 CB TYR A 19 3.838 7.238 2.585 1.00 0.00 C ATOM 245 CG TYR A 19 5.160 6.817 1.984 1.00 0.00 C ATOM 246 CD1 TYR A 19 5.400 6.948 0.622 1.00 0.00 C ATOM 247 CD2 TYR A 19 6.170 6.290 2.779 1.00 0.00 C ATOM 248 CE1 TYR A 19 6.606 6.565 0.068 1.00 0.00 C ATOM 249 CE2 TYR A 19 7.380 5.905 2.234 1.00 0.00 C ATOM 250 CZ TYR A 19 7.593 6.043 0.878 1.00 0.00 C ATOM 251 OH TYR A 19 8.796 5.661 0.331 1.00 0.00 O ATOM 0 H TYR A 19 5.149 8.164 4.502 1.00 0.00 H new ATOM 0 HA TYR A 19 3.993 9.332 2.126 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.631 6.618 3.457 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.044 7.048 1.863 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.630 7.357 -0.015 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.007 6.179 3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.775 6.674 -0.993 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.155 5.498 2.866 1.00 0.00 H new ATOM 0 HH TYR A 19 9.381 5.315 1.037 1.00 0.00 H new ATOM 261 N GLY A 20 2.042 8.440 4.654 1.00 0.00 N ATOM 262 CA GLY A 20 0.744 8.697 5.252 1.00 0.00 C ATOM 263 C GLY A 20 -0.129 7.459 5.295 1.00 0.00 C ATOM 264 O GLY A 20 -1.356 7.555 5.262 1.00 0.00 O ATOM 0 H GLY A 20 2.620 7.766 5.157 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.882 9.076 6.265 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.235 9.478 4.687 1.00 0.00 H new ATOM 268 N PHE A 21 0.504 6.293 5.368 1.00 0.00 N ATOM 269 CA PHE A 21 -0.224 5.030 5.413 1.00 0.00 C ATOM 270 C PHE A 21 0.556 3.980 6.200 1.00 0.00 C ATOM 271 O PHE A 21 1.761 3.817 6.012 1.00 0.00 O ATOM 272 CB PHE A 21 -0.496 4.522 3.996 1.00 0.00 C ATOM 273 CG PHE A 21 0.702 3.895 3.343 1.00 0.00 C ATOM 274 CD1 PHE A 21 1.728 4.682 2.845 1.00 0.00 C ATOM 275 CD2 PHE A 21 0.803 2.518 3.228 1.00 0.00 C ATOM 276 CE1 PHE A 21 2.832 4.108 2.244 1.00 0.00 C ATOM 277 CE2 PHE A 21 1.905 1.938 2.628 1.00 0.00 C ATOM 278 CZ PHE A 21 2.920 2.734 2.135 1.00 0.00 C ATOM 0 H PHE A 21 1.519 6.196 5.397 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.174 5.206 5.917 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.305 3.792 4.029 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.842 5.353 3.381 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.664 5.757 2.928 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.012 1.891 3.611 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.625 4.733 1.860 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.972 0.863 2.545 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.781 2.283 1.665 1.00 0.00 H new ATOM 288 N TYR A 22 -0.141 3.273 7.082 1.00 0.00 N ATOM 289 CA TYR A 22 0.486 2.241 7.901 1.00 0.00 C ATOM 290 C TYR A 22 -0.060 0.861 7.549 1.00 0.00 C ATOM 291 O TYR A 22 -1.255 0.697 7.299 1.00 0.00 O ATOM 292 CB TYR A 22 0.257 2.529 9.385 1.00 0.00 C ATOM 293 CG TYR A 22 0.630 3.936 9.794 1.00 0.00 C ATOM 294 CD1 TYR A 22 -0.165 5.018 9.437 1.00 0.00 C ATOM 295 CD2 TYR A 22 1.779 4.184 10.534 1.00 0.00 C ATOM 296 CE1 TYR A 22 0.172 6.306 9.807 1.00 0.00 C ATOM 297 CE2 TYR A 22 2.124 5.468 10.910 1.00 0.00 C ATOM 298 CZ TYR A 22 1.318 6.525 10.544 1.00 0.00 C ATOM 299 OH TYR A 22 1.658 7.806 10.915 1.00 0.00 O ATOM 0 H TYR A 22 -1.140 3.395 7.249 1.00 0.00 H new ATOM 0 HA TYR A 22 1.557 2.251 7.697 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.793 2.357 9.622 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.837 1.822 9.977 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.062 4.849 8.860 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.414 3.359 10.821 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.457 7.136 9.521 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.020 5.643 11.487 1.00 0.00 H new ATOM 0 HH TYR A 22 1.540 8.410 10.152 1.00 0.00 H new ATOM 309 N LEU A 23 0.824 -0.131 7.532 1.00 0.00 N ATOM 310 CA LEU A 23 0.432 -1.499 7.212 1.00 0.00 C ATOM 311 C LEU A 23 0.471 -2.382 8.456 1.00 0.00 C ATOM 312 O LEU A 23 1.122 -2.048 9.446 1.00 0.00 O ATOM 313 CB LEU A 23 1.353 -2.075 6.135 1.00 0.00 C ATOM 314 CG LEU A 23 1.334 -1.361 4.783 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.585 -1.693 3.986 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.084 -1.736 4.000 1.00 0.00 C ATOM 0 H LEU A 23 1.816 -0.013 7.736 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.591 -1.479 6.835 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.375 -2.064 6.515 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.084 -3.119 5.976 1.00 0.00 H new ATOM 0 HG LEU A 23 1.318 -0.286 4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.553 -1.176 3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.466 -1.373 4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.634 -2.769 3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.087 -1.219 3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.069 -2.813 3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.801 -1.445 4.566 1.00 0.00 H new ATOM 328 N ARG A 24 -0.227 -3.511 8.396 1.00 0.00 N ATOM 329 CA ARG A 24 -0.272 -4.442 9.517 1.00 0.00 C ATOM 330 C ARG A 24 -0.614 -5.851 9.040 1.00 0.00 C ATOM 331 O ARG A 24 -1.329 -6.026 8.054 1.00 0.00 O ATOM 332 CB ARG A 24 -1.298 -3.979 10.552 1.00 0.00 C ATOM 333 CG ARG A 24 -1.534 -4.984 11.668 1.00 0.00 C ATOM 334 CD ARG A 24 -2.733 -4.598 12.521 1.00 0.00 C ATOM 335 NE ARG A 24 -3.128 -5.673 13.427 1.00 0.00 N ATOM 336 CZ ARG A 24 -3.829 -5.477 14.538 1.00 0.00 C ATOM 337 NH1 ARG A 24 -4.211 -4.253 14.878 1.00 0.00 N ATOM 338 NH2 ARG A 24 -4.151 -6.506 15.312 1.00 0.00 N ATOM 0 H ARG A 24 -0.769 -3.803 7.583 1.00 0.00 H new ATOM 0 HA ARG A 24 0.715 -4.463 9.979 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.963 -3.038 10.987 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.244 -3.779 10.049 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.694 -5.974 11.240 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.645 -5.048 12.296 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.494 -3.706 13.100 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.572 -4.343 11.873 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.850 -6.626 13.194 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.966 -3.459 14.286 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.749 -4.105 15.732 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.860 -7.449 15.054 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.689 -6.354 16.165 1.00 0.00 H new ATOM 352 N ALA A 25 -0.098 -6.851 9.747 1.00 0.00 N ATOM 353 CA ALA A 25 -0.350 -8.243 9.398 1.00 0.00 C ATOM 354 C ALA A 25 -1.821 -8.599 9.587 1.00 0.00 C ATOM 355 O ALA A 25 -2.290 -8.763 10.713 1.00 0.00 O ATOM 356 CB ALA A 25 0.529 -9.164 10.230 1.00 0.00 C ATOM 0 H ALA A 25 0.497 -6.723 10.565 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.103 -8.378 8.345 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.330 -10.201 9.958 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.578 -8.935 10.041 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.310 -9.018 11.288 1.00 0.00 H new ATOM 362 N GLY A 26 -2.544 -8.717 8.478 1.00 0.00 N ATOM 363 CA GLY A 26 -3.955 -9.052 8.545 1.00 0.00 C ATOM 364 C GLY A 26 -4.190 -10.539 8.726 1.00 0.00 C ATOM 365 O GLY A 26 -3.290 -11.290 9.104 1.00 0.00 O ATOM 0 H GLY A 26 -2.179 -8.587 7.535 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.415 -8.511 9.372 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.448 -8.718 7.632 1.00 0.00 H new ATOM 369 N PRO A 27 -5.425 -10.984 8.454 1.00 0.00 N ATOM 370 CA PRO A 27 -5.805 -12.394 8.583 1.00 0.00 C ATOM 371 C PRO A 27 -5.149 -13.271 7.521 1.00 0.00 C ATOM 372 O PRO A 27 -4.235 -12.835 6.822 1.00 0.00 O ATOM 373 CB PRO A 27 -7.324 -12.371 8.395 1.00 0.00 C ATOM 374 CG PRO A 27 -7.587 -11.150 7.584 1.00 0.00 C ATOM 375 CD PRO A 27 -6.547 -10.146 7.999 1.00 0.00 C ATOM 0 HA PRO A 27 -5.487 -12.816 9.536 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.673 -13.268 7.884 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.841 -12.328 9.354 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.517 -11.367 6.518 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.592 -10.769 7.766 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.257 -9.502 7.169 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.911 -9.496 8.794 1.00 0.00 H new ATOM 383 N GLU A 28 -5.623 -14.507 7.406 1.00 0.00 N ATOM 384 CA GLU A 28 -5.082 -15.444 6.428 1.00 0.00 C ATOM 385 C GLU A 28 -4.954 -14.787 5.057 1.00 0.00 C ATOM 386 O GLU A 28 -4.108 -15.170 4.250 1.00 0.00 O ATOM 387 CB GLU A 28 -5.972 -16.685 6.330 1.00 0.00 C ATOM 388 CG GLU A 28 -5.866 -17.606 7.534 1.00 0.00 C ATOM 389 CD GLU A 28 -6.678 -18.876 7.369 1.00 0.00 C ATOM 390 OE1 GLU A 28 -7.908 -18.774 7.178 1.00 0.00 O ATOM 391 OE2 GLU A 28 -6.083 -19.972 7.432 1.00 0.00 O ATOM 0 H GLU A 28 -6.380 -14.883 7.977 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.089 -15.744 6.762 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.009 -16.370 6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.706 -17.243 5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.820 -17.866 7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.205 -17.075 8.424 1.00 0.00 H new ATOM 398 N GLN A 29 -5.802 -13.795 4.802 1.00 0.00 N ATOM 399 CA GLN A 29 -5.785 -13.085 3.528 1.00 0.00 C ATOM 400 C GLN A 29 -4.357 -12.742 3.115 1.00 0.00 C ATOM 401 O GLN A 29 -3.564 -12.261 3.924 1.00 0.00 O ATOM 402 CB GLN A 29 -6.622 -11.808 3.621 1.00 0.00 C ATOM 403 CG GLN A 29 -7.038 -11.254 2.268 1.00 0.00 C ATOM 404 CD GLN A 29 -8.262 -10.363 2.353 1.00 0.00 C ATOM 405 OE1 GLN A 29 -8.179 -9.216 2.792 1.00 0.00 O ATOM 406 NE2 GLN A 29 -9.407 -10.888 1.933 1.00 0.00 N ATOM 0 H GLN A 29 -6.508 -13.465 5.460 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.216 -13.739 2.770 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.515 -12.011 4.211 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.052 -11.048 4.156 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.210 -10.688 1.841 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.242 -12.081 1.588 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.430 -11.843 1.577 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.264 -10.336 1.967 1.00 0.00 H new ATOM 415 N LYS A 30 -4.036 -12.994 1.850 1.00 0.00 N ATOM 416 CA LYS A 30 -2.705 -12.712 1.328 1.00 0.00 C ATOM 417 C LYS A 30 -2.529 -11.220 1.063 1.00 0.00 C ATOM 418 O LYS A 30 -3.122 -10.671 0.135 1.00 0.00 O ATOM 419 CB LYS A 30 -2.462 -13.502 0.040 1.00 0.00 C ATOM 420 CG LYS A 30 -2.051 -14.944 0.279 1.00 0.00 C ATOM 421 CD LYS A 30 -3.259 -15.865 0.341 1.00 0.00 C ATOM 422 CE LYS A 30 -3.802 -15.976 1.757 1.00 0.00 C ATOM 423 NZ LYS A 30 -4.457 -17.291 1.998 1.00 0.00 N ATOM 0 H LYS A 30 -4.680 -13.393 1.168 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.976 -13.018 2.078 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.370 -13.487 -0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.686 -13.003 -0.541 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.384 -15.270 -0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.491 -15.014 1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.039 -15.489 -0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.983 -16.855 -0.023 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.989 -15.839 2.470 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.519 -15.175 1.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.814 -17.327 2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.249 -17.411 1.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.766 -18.055 1.853 1.00 0.00 H new ATOM 437 N GLY A 31 -1.710 -10.570 1.884 1.00 0.00 N ATOM 438 CA GLY A 31 -1.470 -9.148 1.720 1.00 0.00 C ATOM 439 C GLY A 31 -1.506 -8.399 3.037 1.00 0.00 C ATOM 440 O GLY A 31 -1.865 -8.964 4.070 1.00 0.00 O ATOM 0 H GLY A 31 -1.208 -11.003 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.499 -8.999 1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.220 -8.731 1.048 1.00 0.00 H new ATOM 444 N GLN A 32 -1.131 -7.124 3.001 1.00 0.00 N ATOM 445 CA GLN A 32 -1.120 -6.298 4.203 1.00 0.00 C ATOM 446 C GLN A 32 -2.287 -5.316 4.199 1.00 0.00 C ATOM 447 O GLN A 32 -2.705 -4.838 3.143 1.00 0.00 O ATOM 448 CB GLN A 32 0.202 -5.536 4.311 1.00 0.00 C ATOM 449 CG GLN A 32 1.428 -6.416 4.126 1.00 0.00 C ATOM 450 CD GLN A 32 1.621 -7.395 5.268 1.00 0.00 C ATOM 451 OE1 GLN A 32 1.770 -8.598 5.051 1.00 0.00 O ATOM 452 NE2 GLN A 32 1.620 -6.883 6.493 1.00 0.00 N ATOM 0 H GLN A 32 -0.831 -6.641 2.154 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.224 -6.955 5.066 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.217 -4.744 3.563 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.255 -5.054 5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.337 -6.968 3.191 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.313 -5.786 4.039 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.493 -5.880 6.626 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.746 -7.493 7.301 1.00 0.00 H new ATOM 461 N ILE A 33 -2.809 -5.020 5.384 1.00 0.00 N ATOM 462 CA ILE A 33 -3.928 -4.094 5.517 1.00 0.00 C ATOM 463 C ILE A 33 -3.444 -2.699 5.896 1.00 0.00 C ATOM 464 O ILE A 33 -2.491 -2.548 6.660 1.00 0.00 O ATOM 465 CB ILE A 33 -4.938 -4.580 6.572 1.00 0.00 C ATOM 466 CG1 ILE A 33 -5.156 -6.089 6.446 1.00 0.00 C ATOM 467 CG2 ILE A 33 -6.257 -3.835 6.425 1.00 0.00 C ATOM 468 CD1 ILE A 33 -5.961 -6.681 7.581 1.00 0.00 C ATOM 0 H ILE A 33 -2.475 -5.408 6.266 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.422 -4.053 4.546 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.533 -4.372 7.563 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.664 -6.297 5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.187 -6.585 6.402 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.961 -4.190 7.178 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.088 -2.767 6.560 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.667 -4.014 5.431 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.076 -7.754 7.425 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.444 -6.505 8.524 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.944 -6.212 7.613 1.00 0.00 H new ATOM 480 N ILE A 34 -4.109 -1.682 5.358 1.00 0.00 N ATOM 481 CA ILE A 34 -3.750 -0.298 5.643 1.00 0.00 C ATOM 482 C ILE A 34 -4.655 0.295 6.717 1.00 0.00 C ATOM 483 O ILE A 34 -5.821 -0.081 6.839 1.00 0.00 O ATOM 484 CB ILE A 34 -3.830 0.576 4.378 1.00 0.00 C ATOM 485 CG1 ILE A 34 -2.818 0.098 3.335 1.00 0.00 C ATOM 486 CG2 ILE A 34 -3.589 2.037 4.727 1.00 0.00 C ATOM 487 CD1 ILE A 34 -2.773 0.963 2.095 1.00 0.00 C ATOM 0 H ILE A 34 -4.899 -1.790 4.722 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.721 -0.306 6.004 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.830 0.484 3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.827 0.074 3.787 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.062 -0.924 3.046 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.649 2.642 3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.345 2.371 5.437 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.600 2.146 5.172 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.034 0.564 1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.753 0.968 1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.499 1.981 2.371 1.00 0.00 H new ATOM 499 N LYS A 35 -4.111 1.227 7.493 1.00 0.00 N ATOM 500 CA LYS A 35 -4.870 1.877 8.555 1.00 0.00 C ATOM 501 C LYS A 35 -4.083 3.040 9.151 1.00 0.00 C ATOM 502 O LYS A 35 -2.862 3.111 9.013 1.00 0.00 O ATOM 503 CB LYS A 35 -5.219 0.868 9.651 1.00 0.00 C ATOM 504 CG LYS A 35 -4.008 0.156 10.230 1.00 0.00 C ATOM 505 CD LYS A 35 -4.361 -1.241 10.713 1.00 0.00 C ATOM 506 CE LYS A 35 -4.564 -2.198 9.549 1.00 0.00 C ATOM 507 NZ LYS A 35 -5.284 -3.433 9.965 1.00 0.00 N ATOM 0 H LYS A 35 -3.147 1.549 7.406 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.791 2.268 8.123 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.745 1.384 10.454 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.906 0.126 9.245 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.225 0.094 9.474 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.605 0.738 11.059 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.567 -1.615 11.359 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.269 -1.201 11.315 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.127 -1.697 8.761 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.596 -2.467 9.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.714 -4.267 9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.442 -3.413 10.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.200 -3.482 9.475 1.00 0.00 H new ATOM 521 N ASP A 36 -4.791 3.947 9.815 1.00 0.00 N ATOM 522 CA ASP A 36 -4.158 5.106 10.435 1.00 0.00 C ATOM 523 C ASP A 36 -3.718 6.115 9.379 1.00 0.00 C ATOM 524 O ASP A 36 -2.721 6.817 9.555 1.00 0.00 O ATOM 525 CB ASP A 36 -2.956 4.669 11.274 1.00 0.00 C ATOM 526 CG ASP A 36 -2.537 5.725 12.279 1.00 0.00 C ATOM 527 OD1 ASP A 36 -3.295 5.960 13.242 1.00 0.00 O ATOM 528 OD2 ASP A 36 -1.451 6.316 12.100 1.00 0.00 O ATOM 0 H ASP A 36 -5.803 3.902 9.938 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.890 5.585 11.085 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.200 3.747 11.801 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.117 4.447 10.614 1.00 0.00 H new ATOM 533 N ILE A 37 -4.466 6.181 8.283 1.00 0.00 N ATOM 534 CA ILE A 37 -4.152 7.104 7.199 1.00 0.00 C ATOM 535 C ILE A 37 -4.119 8.545 7.697 1.00 0.00 C ATOM 536 O ILE A 37 -5.007 8.978 8.431 1.00 0.00 O ATOM 537 CB ILE A 37 -5.173 6.992 6.052 1.00 0.00 C ATOM 538 CG1 ILE A 37 -5.063 5.624 5.374 1.00 0.00 C ATOM 539 CG2 ILE A 37 -4.959 8.109 5.041 1.00 0.00 C ATOM 540 CD1 ILE A 37 -6.085 5.409 4.279 1.00 0.00 C ATOM 0 H ILE A 37 -5.293 5.607 8.122 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.166 6.829 6.825 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.176 7.092 6.467 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.063 5.515 4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.179 4.844 6.127 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.688 8.016 4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.082 9.074 5.533 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.953 8.038 4.628 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.948 4.419 3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.088 5.486 4.698 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.955 6.167 3.506 1.00 0.00 H new ATOM 552 N GLU A 38 -3.091 9.282 7.290 1.00 0.00 N ATOM 553 CA GLU A 38 -2.943 10.675 7.694 1.00 0.00 C ATOM 554 C GLU A 38 -3.661 11.603 6.719 1.00 0.00 C ATOM 555 O GLU A 38 -3.686 11.375 5.509 1.00 0.00 O ATOM 556 CB GLU A 38 -1.462 11.051 7.777 1.00 0.00 C ATOM 557 CG GLU A 38 -0.758 10.484 8.998 1.00 0.00 C ATOM 558 CD GLU A 38 0.624 11.076 9.202 1.00 0.00 C ATOM 559 OE1 GLU A 38 0.713 12.220 9.694 1.00 0.00 O ATOM 560 OE2 GLU A 38 1.615 10.393 8.869 1.00 0.00 O ATOM 0 H GLU A 38 -2.349 8.938 6.681 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.395 10.791 8.679 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.955 10.698 6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.372 12.137 7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.365 10.674 9.883 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.674 9.402 8.895 1.00 0.00 H new ATOM 567 N PRO A 39 -4.260 12.676 7.256 1.00 0.00 N ATOM 568 CA PRO A 39 -4.990 13.661 6.451 1.00 0.00 C ATOM 569 C PRO A 39 -4.063 14.496 5.575 1.00 0.00 C ATOM 570 O PRO A 39 -2.920 14.765 5.944 1.00 0.00 O ATOM 571 CB PRO A 39 -5.671 14.543 7.502 1.00 0.00 C ATOM 572 CG PRO A 39 -4.818 14.412 8.716 1.00 0.00 C ATOM 573 CD PRO A 39 -4.271 13.011 8.690 1.00 0.00 C ATOM 0 HA PRO A 39 -5.684 13.186 5.758 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.731 15.580 7.170 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.691 14.211 7.697 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.012 15.146 8.707 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.399 14.587 9.622 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.271 12.962 9.122 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.898 12.324 9.258 1.00 0.00 H new ATOM 581 N GLY A 40 -4.562 14.904 4.413 1.00 0.00 N ATOM 582 CA GLY A 40 -3.764 15.704 3.502 1.00 0.00 C ATOM 583 C GLY A 40 -2.374 15.137 3.298 1.00 0.00 C ATOM 584 O GLY A 40 -1.449 15.861 2.928 1.00 0.00 O ATOM 0 H GLY A 40 -5.505 14.695 4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.272 15.768 2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.685 16.720 3.889 1.00 0.00 H new ATOM 588 N SER A 41 -2.224 13.839 3.541 1.00 0.00 N ATOM 589 CA SER A 41 -0.934 13.176 3.387 1.00 0.00 C ATOM 590 C SER A 41 -0.826 12.511 2.019 1.00 0.00 C ATOM 591 O SER A 41 -1.825 12.178 1.381 1.00 0.00 O ATOM 592 CB SER A 41 -0.738 12.134 4.490 1.00 0.00 C ATOM 593 OG SER A 41 -1.504 10.970 4.234 1.00 0.00 O ATOM 0 H SER A 41 -2.980 13.225 3.845 1.00 0.00 H new ATOM 0 HA SER A 41 -0.152 13.931 3.467 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.317 11.870 4.562 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.027 12.559 5.451 1.00 0.00 H new ATOM 0 HG SER A 41 -2.260 10.932 4.857 1.00 0.00 H new ATOM 599 N PRO A 42 0.417 12.313 1.555 1.00 0.00 N ATOM 600 CA PRO A 42 0.688 11.686 0.258 1.00 0.00 C ATOM 601 C PRO A 42 -0.112 10.403 0.056 1.00 0.00 C ATOM 602 O PRO A 42 -0.432 10.031 -1.072 1.00 0.00 O ATOM 603 CB PRO A 42 2.186 11.378 0.318 1.00 0.00 C ATOM 604 CG PRO A 42 2.739 12.375 1.277 1.00 0.00 C ATOM 605 CD PRO A 42 1.654 12.685 2.262 1.00 0.00 C ATOM 0 HA PRO A 42 0.405 12.332 -0.573 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.367 10.358 0.658 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.650 11.474 -0.664 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.617 11.976 1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.055 13.278 0.755 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.775 12.114 3.183 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.655 13.739 2.538 1.00 0.00 H new ATOM 613 N ALA A 43 -0.431 9.731 1.157 1.00 0.00 N ATOM 614 CA ALA A 43 -1.196 8.491 1.101 1.00 0.00 C ATOM 615 C ALA A 43 -2.666 8.766 0.801 1.00 0.00 C ATOM 616 O ALA A 43 -3.263 8.122 -0.061 1.00 0.00 O ATOM 617 CB ALA A 43 -1.055 7.725 2.408 1.00 0.00 C ATOM 0 H ALA A 43 -0.172 10.024 2.099 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.796 7.881 0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.631 6.801 2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.005 7.488 2.579 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.428 8.336 3.230 1.00 0.00 H new ATOM 623 N GLU A 44 -3.242 9.724 1.520 1.00 0.00 N ATOM 624 CA GLU A 44 -4.643 10.081 1.331 1.00 0.00 C ATOM 625 C GLU A 44 -4.842 10.824 0.013 1.00 0.00 C ATOM 626 O GLU A 44 -5.911 10.758 -0.594 1.00 0.00 O ATOM 627 CB GLU A 44 -5.134 10.945 2.495 1.00 0.00 C ATOM 628 CG GLU A 44 -6.640 11.147 2.510 1.00 0.00 C ATOM 629 CD GLU A 44 -7.377 9.988 3.154 1.00 0.00 C ATOM 630 OE1 GLU A 44 -7.737 9.038 2.427 1.00 0.00 O ATOM 631 OE2 GLU A 44 -7.594 10.031 4.382 1.00 0.00 O ATOM 0 H GLU A 44 -2.761 10.266 2.238 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.225 9.160 1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.829 10.483 3.434 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.646 11.918 2.445 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.874 12.066 3.048 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.996 11.276 1.488 1.00 0.00 H new ATOM 638 N ALA A 45 -3.805 11.532 -0.423 1.00 0.00 N ATOM 639 CA ALA A 45 -3.865 12.286 -1.669 1.00 0.00 C ATOM 640 C ALA A 45 -3.632 11.378 -2.872 1.00 0.00 C ATOM 641 O ALA A 45 -4.037 11.697 -3.989 1.00 0.00 O ATOM 642 CB ALA A 45 -2.845 13.415 -1.652 1.00 0.00 C ATOM 0 H ALA A 45 -2.914 11.599 0.068 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.863 12.714 -1.758 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.901 13.970 -2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.058 14.086 -0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.844 12.999 -1.536 1.00 0.00 H new ATOM 648 N ALA A 46 -2.976 10.247 -2.635 1.00 0.00 N ATOM 649 CA ALA A 46 -2.690 9.293 -3.700 1.00 0.00 C ATOM 650 C ALA A 46 -3.955 8.560 -4.134 1.00 0.00 C ATOM 651 O ALA A 46 -4.070 8.125 -5.279 1.00 0.00 O ATOM 652 CB ALA A 46 -1.631 8.299 -3.247 1.00 0.00 C ATOM 0 H ALA A 46 -2.633 9.969 -1.716 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.310 9.847 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.427 7.593 -4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.716 8.833 -2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.991 7.758 -2.372 1.00 0.00 H new ATOM 658 N GLY A 47 -4.902 8.425 -3.210 1.00 0.00 N ATOM 659 CA GLY A 47 -6.146 7.743 -3.517 1.00 0.00 C ATOM 660 C GLY A 47 -6.359 6.512 -2.659 1.00 0.00 C ATOM 661 O GLY A 47 -7.356 5.806 -2.810 1.00 0.00 O ATOM 0 H GLY A 47 -4.830 8.776 -2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.979 8.431 -3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.149 7.454 -4.568 1.00 0.00 H new ATOM 665 N LEU A 48 -5.420 6.253 -1.756 1.00 0.00 N ATOM 666 CA LEU A 48 -5.508 5.096 -0.871 1.00 0.00 C ATOM 667 C LEU A 48 -6.875 5.030 -0.197 1.00 0.00 C ATOM 668 O LEU A 48 -7.741 5.870 -0.441 1.00 0.00 O ATOM 669 CB LEU A 48 -4.407 5.156 0.189 1.00 0.00 C ATOM 670 CG LEU A 48 -3.079 4.497 -0.185 1.00 0.00 C ATOM 671 CD1 LEU A 48 -2.133 4.490 1.006 1.00 0.00 C ATOM 672 CD2 LEU A 48 -3.310 3.082 -0.693 1.00 0.00 C ATOM 0 H LEU A 48 -4.589 6.828 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.376 4.197 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.216 6.202 0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.780 4.685 1.099 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.620 5.078 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.193 4.017 0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.942 5.515 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.585 3.933 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.354 2.629 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.792 2.490 0.085 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.950 3.112 -1.575 1.00 0.00 H new ATOM 684 N LYS A 49 -7.062 4.026 0.653 1.00 0.00 N ATOM 685 CA LYS A 49 -8.321 3.850 1.365 1.00 0.00 C ATOM 686 C LYS A 49 -8.152 2.897 2.544 1.00 0.00 C ATOM 687 O LYS A 49 -7.509 1.854 2.424 1.00 0.00 O ATOM 688 CB LYS A 49 -9.398 3.318 0.416 1.00 0.00 C ATOM 689 CG LYS A 49 -9.999 4.386 -0.481 1.00 0.00 C ATOM 690 CD LYS A 49 -11.397 4.005 -0.941 1.00 0.00 C ATOM 691 CE LYS A 49 -11.353 3.003 -2.084 1.00 0.00 C ATOM 692 NZ LYS A 49 -12.692 2.817 -2.710 1.00 0.00 N ATOM 0 H LYS A 49 -6.356 3.321 0.865 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.631 4.822 1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.967 2.533 -0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.193 2.859 1.003 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.037 5.334 0.056 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.358 4.537 -1.349 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.953 3.581 -0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.933 4.899 -1.260 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.643 3.343 -2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.989 2.045 -1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.620 2.127 -3.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.363 2.468 -1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.028 3.726 -3.087 1.00 0.00 H new ATOM 706 N ASN A 50 -8.733 3.261 3.682 1.00 0.00 N ATOM 707 CA ASN A 50 -8.646 2.437 4.882 1.00 0.00 C ATOM 708 C ASN A 50 -9.109 1.011 4.598 1.00 0.00 C ATOM 709 O ASN A 50 -10.030 0.791 3.813 1.00 0.00 O ATOM 710 CB ASN A 50 -9.490 3.044 6.005 1.00 0.00 C ATOM 711 CG ASN A 50 -9.065 4.459 6.347 1.00 0.00 C ATOM 712 OD1 ASN A 50 -9.757 5.423 6.018 1.00 0.00 O ATOM 713 ND2 ASN A 50 -7.922 4.590 7.011 1.00 0.00 N ATOM 0 H ASN A 50 -9.269 4.121 3.799 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.603 2.406 5.196 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.539 3.044 5.708 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.411 2.419 6.894 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.585 5.518 7.269 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.381 3.763 7.263 1.00 0.00 H new ATOM 720 N ASN A 51 -8.462 0.045 5.243 1.00 0.00 N ATOM 721 CA ASN A 51 -8.807 -1.360 5.059 1.00 0.00 C ATOM 722 C ASN A 51 -8.380 -1.849 3.678 1.00 0.00 C ATOM 723 O ASN A 51 -9.031 -2.709 3.085 1.00 0.00 O ATOM 724 CB ASN A 51 -10.311 -1.566 5.243 1.00 0.00 C ATOM 725 CG ASN A 51 -10.855 -0.817 6.445 1.00 0.00 C ATOM 726 OD1 ASN A 51 -10.940 0.411 6.439 1.00 0.00 O ATOM 727 ND2 ASN A 51 -11.224 -1.556 7.485 1.00 0.00 N ATOM 0 H ASN A 51 -7.697 0.210 5.897 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.273 -1.941 5.811 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.833 -1.235 4.345 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.518 -2.630 5.357 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.596 -1.108 8.323 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.136 -2.571 7.446 1.00 0.00 H new ATOM 734 N ASP A 52 -7.284 -1.294 3.173 1.00 0.00 N ATOM 735 CA ASP A 52 -6.769 -1.674 1.863 1.00 0.00 C ATOM 736 C ASP A 52 -5.809 -2.854 1.978 1.00 0.00 C ATOM 737 O ASP A 52 -4.870 -2.829 2.775 1.00 0.00 O ATOM 738 CB ASP A 52 -6.063 -0.488 1.205 1.00 0.00 C ATOM 739 CG ASP A 52 -7.013 0.375 0.396 1.00 0.00 C ATOM 740 OD1 ASP A 52 -8.192 -0.011 0.256 1.00 0.00 O ATOM 741 OD2 ASP A 52 -6.576 1.436 -0.097 1.00 0.00 O ATOM 0 H ASP A 52 -6.735 -0.579 3.651 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.613 -1.974 1.242 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.589 0.121 1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.269 -0.856 0.556 1.00 0.00 H new ATOM 746 N LEU A 53 -6.049 -3.886 1.177 1.00 0.00 N ATOM 747 CA LEU A 53 -5.206 -5.077 1.189 1.00 0.00 C ATOM 748 C LEU A 53 -4.245 -5.075 0.005 1.00 0.00 C ATOM 749 O LEU A 53 -4.666 -5.137 -1.150 1.00 0.00 O ATOM 750 CB LEU A 53 -6.070 -6.338 1.158 1.00 0.00 C ATOM 751 CG LEU A 53 -5.320 -7.668 1.247 1.00 0.00 C ATOM 752 CD1 LEU A 53 -4.849 -8.108 -0.131 1.00 0.00 C ATOM 753 CD2 LEU A 53 -4.143 -7.553 2.204 1.00 0.00 C ATOM 0 H LEU A 53 -6.820 -3.922 0.511 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.621 -5.069 2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.780 -6.288 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.652 -6.333 0.236 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.004 -8.424 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.317 -9.056 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.710 -8.231 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.181 -7.353 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.621 -8.508 2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.458 -6.784 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.506 -7.284 3.196 1.00 0.00 H new ATOM 765 N VAL A 54 -2.950 -5.006 0.299 1.00 0.00 N ATOM 766 CA VAL A 54 -1.929 -5.000 -0.741 1.00 0.00 C ATOM 767 C VAL A 54 -1.368 -6.400 -0.968 1.00 0.00 C ATOM 768 O VAL A 54 -0.914 -7.058 -0.032 1.00 0.00 O ATOM 769 CB VAL A 54 -0.772 -4.047 -0.386 1.00 0.00 C ATOM 770 CG1 VAL A 54 0.200 -3.930 -1.550 1.00 0.00 C ATOM 771 CG2 VAL A 54 -1.311 -2.680 0.009 1.00 0.00 C ATOM 0 H VAL A 54 -2.584 -4.953 1.250 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.410 -4.651 -1.655 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.232 -4.460 0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.010 -3.253 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.610 -4.913 -1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.323 -3.540 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.480 -2.019 0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.876 -2.257 -0.822 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.964 -2.783 0.876 1.00 0.00 H new ATOM 781 N VAL A 55 -1.402 -6.849 -2.219 1.00 0.00 N ATOM 782 CA VAL A 55 -0.896 -8.170 -2.570 1.00 0.00 C ATOM 783 C VAL A 55 0.489 -8.078 -3.202 1.00 0.00 C ATOM 784 O VAL A 55 1.252 -9.043 -3.193 1.00 0.00 O ATOM 785 CB VAL A 55 -1.845 -8.894 -3.544 1.00 0.00 C ATOM 786 CG1 VAL A 55 -3.039 -9.469 -2.797 1.00 0.00 C ATOM 787 CG2 VAL A 55 -2.299 -7.950 -4.646 1.00 0.00 C ATOM 0 H VAL A 55 -1.775 -6.317 -3.006 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.833 -8.741 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.303 -9.720 -4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.698 -9.977 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.691 -10.180 -2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.584 -8.663 -2.306 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.969 -8.478 -5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.824 -7.102 -4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.431 -7.592 -5.199 1.00 0.00 H new ATOM 797 N ALA A 56 0.806 -6.909 -3.750 1.00 0.00 N ATOM 798 CA ALA A 56 2.100 -6.690 -4.385 1.00 0.00 C ATOM 799 C ALA A 56 2.550 -5.241 -4.227 1.00 0.00 C ATOM 800 O ALA A 56 1.735 -4.350 -3.989 1.00 0.00 O ATOM 801 CB ALA A 56 2.036 -7.067 -5.857 1.00 0.00 C ATOM 0 H ALA A 56 0.185 -6.100 -3.767 1.00 0.00 H new ATOM 0 HA ALA A 56 2.833 -7.327 -3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.009 -6.898 -6.318 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.767 -8.119 -5.952 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.286 -6.454 -6.357 1.00 0.00 H new ATOM 807 N VAL A 57 3.853 -5.013 -4.360 1.00 0.00 N ATOM 808 CA VAL A 57 4.411 -3.672 -4.233 1.00 0.00 C ATOM 809 C VAL A 57 5.496 -3.427 -5.275 1.00 0.00 C ATOM 810 O VAL A 57 6.469 -4.175 -5.360 1.00 0.00 O ATOM 811 CB VAL A 57 5.001 -3.441 -2.829 1.00 0.00 C ATOM 812 CG1 VAL A 57 5.612 -2.052 -2.728 1.00 0.00 C ATOM 813 CG2 VAL A 57 3.934 -3.642 -1.763 1.00 0.00 C ATOM 0 H VAL A 57 4.542 -5.740 -4.556 1.00 0.00 H new ATOM 0 HA VAL A 57 3.592 -2.971 -4.395 1.00 0.00 H new ATOM 0 HB VAL A 57 5.792 -4.172 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.024 -1.907 -1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.407 -1.950 -3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.844 -1.302 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.368 -3.475 -0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.120 -2.936 -1.925 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.548 -4.660 -1.822 1.00 0.00 H new ATOM 823 N ASN A 58 5.322 -2.374 -6.067 1.00 0.00 N ATOM 824 CA ASN A 58 6.287 -2.030 -7.104 1.00 0.00 C ATOM 825 C ASN A 58 6.411 -3.155 -8.127 1.00 0.00 C ATOM 826 O ASN A 58 7.457 -3.330 -8.750 1.00 0.00 O ATOM 827 CB ASN A 58 7.654 -1.738 -6.482 1.00 0.00 C ATOM 828 CG ASN A 58 7.814 -0.280 -6.096 1.00 0.00 C ATOM 829 OD1 ASN A 58 7.096 0.587 -6.592 1.00 0.00 O ATOM 830 ND2 ASN A 58 8.760 -0.005 -5.205 1.00 0.00 N ATOM 0 H ASN A 58 4.522 -1.744 -6.010 1.00 0.00 H new ATOM 0 HA ASN A 58 5.930 -1.136 -7.615 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.789 -2.362 -5.598 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.438 -2.012 -7.188 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.914 0.958 -4.906 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.332 -0.757 -4.820 1.00 0.00 H new ATOM 837 N GLY A 59 5.334 -3.917 -8.294 1.00 0.00 N ATOM 838 CA GLY A 59 5.342 -5.016 -9.242 1.00 0.00 C ATOM 839 C GLY A 59 6.013 -6.256 -8.686 1.00 0.00 C ATOM 840 O GLY A 59 6.792 -6.913 -9.377 1.00 0.00 O ATOM 0 H GLY A 59 4.456 -3.793 -7.790 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.317 -5.257 -9.523 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.857 -4.704 -10.151 1.00 0.00 H new ATOM 844 N LYS A 60 5.713 -6.577 -7.432 1.00 0.00 N ATOM 845 CA LYS A 60 6.292 -7.747 -6.782 1.00 0.00 C ATOM 846 C LYS A 60 5.425 -8.205 -5.614 1.00 0.00 C ATOM 847 O LYS A 60 5.182 -7.447 -4.674 1.00 0.00 O ATOM 848 CB LYS A 60 7.707 -7.434 -6.289 1.00 0.00 C ATOM 849 CG LYS A 60 8.671 -7.064 -7.403 1.00 0.00 C ATOM 850 CD LYS A 60 10.116 -7.154 -6.943 1.00 0.00 C ATOM 851 CE LYS A 60 11.080 -6.757 -8.050 1.00 0.00 C ATOM 852 NZ LYS A 60 12.497 -6.801 -7.595 1.00 0.00 N ATOM 0 H LYS A 60 5.072 -6.043 -6.845 1.00 0.00 H new ATOM 0 HA LYS A 60 6.339 -8.553 -7.515 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.660 -6.613 -5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.097 -8.301 -5.755 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.517 -7.728 -8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.460 -6.051 -7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.265 -6.505 -6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.333 -8.172 -6.618 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.951 -7.426 -8.901 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.841 -5.751 -8.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.122 -6.524 -8.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.627 -6.144 -6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.733 -7.766 -7.289 1.00 0.00 H new ATOM 866 N SER A 61 4.962 -9.449 -5.678 1.00 0.00 N ATOM 867 CA SER A 61 4.121 -10.007 -4.626 1.00 0.00 C ATOM 868 C SER A 61 4.754 -9.796 -3.254 1.00 0.00 C ATOM 869 O SER A 61 5.937 -10.072 -3.055 1.00 0.00 O ATOM 870 CB SER A 61 3.887 -11.499 -4.868 1.00 0.00 C ATOM 871 OG SER A 61 3.531 -11.747 -6.217 1.00 0.00 O ATOM 0 H SER A 61 5.155 -10.090 -6.448 1.00 0.00 H new ATOM 0 HA SER A 61 3.163 -9.488 -4.648 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.789 -12.057 -4.618 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.097 -11.858 -4.208 1.00 0.00 H new ATOM 0 HG SER A 61 3.389 -12.708 -6.346 1.00 0.00 H new ATOM 877 N VAL A 62 3.957 -9.305 -2.310 1.00 0.00 N ATOM 878 CA VAL A 62 4.438 -9.057 -0.956 1.00 0.00 C ATOM 879 C VAL A 62 3.652 -9.873 0.064 1.00 0.00 C ATOM 880 O VAL A 62 4.164 -10.210 1.131 1.00 0.00 O ATOM 881 CB VAL A 62 4.339 -7.565 -0.590 1.00 0.00 C ATOM 882 CG1 VAL A 62 4.979 -6.706 -1.670 1.00 0.00 C ATOM 883 CG2 VAL A 62 2.887 -7.166 -0.370 1.00 0.00 C ATOM 0 H VAL A 62 2.975 -9.071 -2.458 1.00 0.00 H new ATOM 0 HA VAL A 62 5.485 -9.361 -0.931 1.00 0.00 H new ATOM 0 HB VAL A 62 4.882 -7.400 0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.899 -5.655 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.030 -6.975 -1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.467 -6.872 -2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.835 -6.108 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.318 -7.345 -1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.466 -7.758 0.442 1.00 0.00 H new ATOM 893 N GLU A 63 2.405 -10.188 -0.272 1.00 0.00 N ATOM 894 CA GLU A 63 1.548 -10.964 0.615 1.00 0.00 C ATOM 895 C GLU A 63 2.335 -12.084 1.289 1.00 0.00 C ATOM 896 O GLU A 63 2.008 -12.507 2.398 1.00 0.00 O ATOM 897 CB GLU A 63 0.369 -11.552 -0.163 1.00 0.00 C ATOM 898 CG GLU A 63 0.773 -12.616 -1.170 1.00 0.00 C ATOM 899 CD GLU A 63 1.333 -13.861 -0.509 1.00 0.00 C ATOM 900 OE1 GLU A 63 0.799 -14.265 0.544 1.00 0.00 O ATOM 901 OE2 GLU A 63 2.305 -14.431 -1.047 1.00 0.00 O ATOM 0 H GLU A 63 1.966 -9.917 -1.152 1.00 0.00 H new ATOM 0 HA GLU A 63 1.167 -10.295 1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.342 -11.983 0.542 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.148 -10.747 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.093 -12.888 -1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.518 -12.203 -1.850 1.00 0.00 H new ATOM 908 N ALA A 64 3.374 -12.560 0.611 1.00 0.00 N ATOM 909 CA ALA A 64 4.209 -13.629 1.144 1.00 0.00 C ATOM 910 C ALA A 64 5.101 -13.120 2.270 1.00 0.00 C ATOM 911 O ALA A 64 5.284 -13.794 3.285 1.00 0.00 O ATOM 912 CB ALA A 64 5.053 -14.242 0.036 1.00 0.00 C ATOM 0 H ALA A 64 3.658 -12.222 -0.309 1.00 0.00 H new ATOM 0 HA ALA A 64 3.554 -14.397 1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.672 -15.039 0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.400 -14.652 -0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.693 -13.475 -0.401 1.00 0.00 H new ATOM 918 N LEU A 65 5.655 -11.926 2.086 1.00 0.00 N ATOM 919 CA LEU A 65 6.530 -11.326 3.087 1.00 0.00 C ATOM 920 C LEU A 65 5.758 -11.009 4.364 1.00 0.00 C ATOM 921 O LEU A 65 4.565 -11.292 4.467 1.00 0.00 O ATOM 922 CB LEU A 65 7.170 -10.051 2.535 1.00 0.00 C ATOM 923 CG LEU A 65 8.431 -10.245 1.691 1.00 0.00 C ATOM 924 CD1 LEU A 65 8.806 -8.950 0.988 1.00 0.00 C ATOM 925 CD2 LEU A 65 9.582 -10.736 2.557 1.00 0.00 C ATOM 0 H LEU A 65 5.514 -11.355 1.253 1.00 0.00 H new ATOM 0 HA LEU A 65 7.314 -12.044 3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.429 -9.529 1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.415 -9.399 3.373 1.00 0.00 H new ATOM 0 HG LEU A 65 8.225 -11.000 0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.705 -9.107 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.989 -8.640 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.993 -8.174 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 65 10.471 -10.869 1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.788 -10.004 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.313 -11.688 3.015 1.00 0.00 H new ATOM 937 N ASP A 66 6.447 -10.418 5.334 1.00 0.00 N ATOM 938 CA ASP A 66 5.826 -10.059 6.604 1.00 0.00 C ATOM 939 C ASP A 66 5.765 -8.544 6.770 1.00 0.00 C ATOM 940 O ASP A 66 6.282 -7.796 5.938 1.00 0.00 O ATOM 941 CB ASP A 66 6.599 -10.681 7.768 1.00 0.00 C ATOM 942 CG ASP A 66 6.558 -12.196 7.746 1.00 0.00 C ATOM 943 OD1 ASP A 66 7.360 -12.801 7.005 1.00 0.00 O ATOM 944 OD2 ASP A 66 5.722 -12.778 8.470 1.00 0.00 O ATOM 0 H ASP A 66 7.436 -10.177 5.265 1.00 0.00 H new ATOM 0 HA ASP A 66 4.808 -10.448 6.605 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.636 -10.348 7.731 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.183 -10.323 8.710 1.00 0.00 H new ATOM 949 N HIS A 67 5.129 -8.097 7.848 1.00 0.00 N ATOM 950 CA HIS A 67 5.000 -6.670 8.123 1.00 0.00 C ATOM 951 C HIS A 67 6.252 -5.917 7.684 1.00 0.00 C ATOM 952 O HIS A 67 6.172 -4.947 6.930 1.00 0.00 O ATOM 953 CB HIS A 67 4.746 -6.437 9.612 1.00 0.00 C ATOM 954 CG HIS A 67 4.680 -4.989 9.989 1.00 0.00 C ATOM 955 ND1 HIS A 67 5.530 -3.967 9.731 1.00 0.00 N flip ATOM 956 CD2 HIS A 67 3.645 -4.449 10.723 1.00 0.00 C flip ATOM 957 CE1 HIS A 67 4.998 -2.840 10.306 1.00 0.00 C flip ATOM 958 NE2 HIS A 67 3.860 -3.157 10.898 1.00 0.00 N flip ATOM 0 H HIS A 67 4.695 -8.702 8.545 1.00 0.00 H new ATOM 0 HA HIS A 67 4.151 -6.291 7.554 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.810 -6.920 9.892 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.537 -6.918 10.187 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.792 -4.996 11.096 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.438 -1.854 10.279 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.251 -2.514 11.404 1.00 0.00 H new ATOM 967 N ASP A 68 7.406 -6.369 8.160 1.00 0.00 N ATOM 968 CA ASP A 68 8.675 -5.738 7.817 1.00 0.00 C ATOM 969 C ASP A 68 8.975 -5.895 6.329 1.00 0.00 C ATOM 970 O ASP A 68 9.213 -4.914 5.626 1.00 0.00 O ATOM 971 CB ASP A 68 9.810 -6.341 8.645 1.00 0.00 C ATOM 972 CG ASP A 68 9.798 -5.858 10.082 1.00 0.00 C ATOM 973 OD1 ASP A 68 10.305 -4.746 10.338 1.00 0.00 O ATOM 974 OD2 ASP A 68 9.283 -6.593 10.951 1.00 0.00 O ATOM 0 H ASP A 68 7.489 -7.171 8.785 1.00 0.00 H new ATOM 0 HA ASP A 68 8.596 -4.675 8.044 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.729 -7.428 8.629 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.765 -6.086 8.187 1.00 0.00 H new ATOM 979 N GLY A 69 8.963 -7.138 5.857 1.00 0.00 N ATOM 980 CA GLY A 69 9.237 -7.401 4.456 1.00 0.00 C ATOM 981 C GLY A 69 8.510 -6.443 3.533 1.00 0.00 C ATOM 982 O GLY A 69 9.133 -5.752 2.728 1.00 0.00 O ATOM 0 H GLY A 69 8.769 -7.967 6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.310 -7.327 4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.944 -8.423 4.217 1.00 0.00 H new ATOM 986 N VAL A 70 7.186 -6.404 3.648 1.00 0.00 N ATOM 987 CA VAL A 70 6.372 -5.524 2.817 1.00 0.00 C ATOM 988 C VAL A 70 6.757 -4.064 3.022 1.00 0.00 C ATOM 989 O VAL A 70 7.246 -3.404 2.105 1.00 0.00 O ATOM 990 CB VAL A 70 4.872 -5.696 3.119 1.00 0.00 C ATOM 991 CG1 VAL A 70 4.030 -5.013 2.052 1.00 0.00 C ATOM 992 CG2 VAL A 70 4.516 -7.171 3.227 1.00 0.00 C ATOM 0 H VAL A 70 6.654 -6.971 4.308 1.00 0.00 H new ATOM 0 HA VAL A 70 6.560 -5.804 1.780 1.00 0.00 H new ATOM 0 HB VAL A 70 4.656 -5.222 4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.973 -5.145 2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.266 -3.949 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.247 -5.454 1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.452 -7.274 3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.747 -7.671 2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.093 -7.627 4.031 1.00 0.00 H new ATOM 1002 N VAL A 71 6.533 -3.563 4.233 1.00 0.00 N ATOM 1003 CA VAL A 71 6.858 -2.180 4.560 1.00 0.00 C ATOM 1004 C VAL A 71 8.253 -1.811 4.068 1.00 0.00 C ATOM 1005 O VAL A 71 8.540 -0.644 3.805 1.00 0.00 O ATOM 1006 CB VAL A 71 6.778 -1.928 6.078 1.00 0.00 C ATOM 1007 CG1 VAL A 71 7.075 -0.470 6.394 1.00 0.00 C ATOM 1008 CG2 VAL A 71 5.412 -2.331 6.613 1.00 0.00 C ATOM 0 H VAL A 71 6.128 -4.095 5.004 1.00 0.00 H new ATOM 0 HA VAL A 71 6.121 -1.555 4.056 1.00 0.00 H new ATOM 0 HB VAL A 71 7.532 -2.542 6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.014 -0.311 7.471 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.077 -0.219 6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.347 0.167 5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.373 -2.146 7.687 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.639 -1.745 6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.244 -3.391 6.421 1.00 0.00 H new ATOM 1018 N GLU A 72 9.115 -2.815 3.945 1.00 0.00 N ATOM 1019 CA GLU A 72 10.481 -2.595 3.483 1.00 0.00 C ATOM 1020 C GLU A 72 10.502 -2.214 2.006 1.00 0.00 C ATOM 1021 O GLU A 72 11.070 -1.191 1.626 1.00 0.00 O ATOM 1022 CB GLU A 72 11.327 -3.850 3.710 1.00 0.00 C ATOM 1023 CG GLU A 72 12.822 -3.607 3.587 1.00 0.00 C ATOM 1024 CD GLU A 72 13.628 -4.890 3.636 1.00 0.00 C ATOM 1025 OE1 GLU A 72 13.185 -5.893 3.038 1.00 0.00 O ATOM 1026 OE2 GLU A 72 14.703 -4.891 4.272 1.00 0.00 O ATOM 0 H GLU A 72 8.893 -3.787 4.158 1.00 0.00 H new ATOM 0 HA GLU A 72 10.904 -1.771 4.058 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.113 -4.248 4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.031 -4.613 2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.026 -3.090 2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.146 -2.948 4.392 1.00 0.00 H new ATOM 1033 N MET A 73 9.879 -3.046 1.178 1.00 0.00 N ATOM 1034 CA MET A 73 9.825 -2.796 -0.258 1.00 0.00 C ATOM 1035 C MET A 73 9.524 -1.328 -0.544 1.00 0.00 C ATOM 1036 O MET A 73 10.172 -0.704 -1.385 1.00 0.00 O ATOM 1037 CB MET A 73 8.763 -3.682 -0.912 1.00 0.00 C ATOM 1038 CG MET A 73 8.936 -5.162 -0.609 1.00 0.00 C ATOM 1039 SD MET A 73 8.055 -6.218 -1.776 1.00 0.00 S ATOM 1040 CE MET A 73 9.421 -7.082 -2.548 1.00 0.00 C ATOM 0 H MET A 73 9.405 -3.898 1.476 1.00 0.00 H new ATOM 0 HA MET A 73 10.801 -3.038 -0.680 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.777 -3.363 -0.574 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.793 -3.535 -1.992 1.00 0.00 H new ATOM 0 HG2 MET A 73 9.997 -5.411 -0.629 1.00 0.00 H new ATOM 0 HG3 MET A 73 8.579 -5.366 0.401 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.037 -7.775 -3.297 1.00 0.00 H new ATOM 0 HE2 MET A 73 10.083 -6.361 -3.027 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.975 -7.637 -1.791 1.00 0.00 H new ATOM 1050 N ILE A 74 8.538 -0.783 0.161 1.00 0.00 N ATOM 1051 CA ILE A 74 8.154 0.612 -0.017 1.00 0.00 C ATOM 1052 C ILE A 74 9.347 1.541 0.178 1.00 0.00 C ATOM 1053 O ILE A 74 9.588 2.437 -0.631 1.00 0.00 O ATOM 1054 CB ILE A 74 7.037 1.017 0.963 1.00 0.00 C ATOM 1055 CG1 ILE A 74 5.772 0.198 0.696 1.00 0.00 C ATOM 1056 CG2 ILE A 74 6.745 2.506 0.847 1.00 0.00 C ATOM 1057 CD1 ILE A 74 5.728 -1.109 1.455 1.00 0.00 C ATOM 0 H ILE A 74 7.991 -1.286 0.860 1.00 0.00 H new ATOM 0 HA ILE A 74 7.785 0.709 -1.038 1.00 0.00 H new ATOM 0 HB ILE A 74 7.373 0.810 1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.900 0.794 0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.701 -0.009 -0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 74 5.953 2.777 1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.646 3.073 1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.426 2.736 -0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.804 -1.637 1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.581 -1.724 1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.767 -0.909 2.526 1.00 0.00 H new ATOM 1069 N ARG A 75 10.093 1.319 1.255 1.00 0.00 N ATOM 1070 CA ARG A 75 11.263 2.135 1.556 1.00 0.00 C ATOM 1071 C ARG A 75 12.363 1.912 0.522 1.00 0.00 C ATOM 1072 O ARG A 75 13.286 2.717 0.397 1.00 0.00 O ATOM 1073 CB ARG A 75 11.790 1.813 2.955 1.00 0.00 C ATOM 1074 CG ARG A 75 10.922 2.363 4.075 1.00 0.00 C ATOM 1075 CD ARG A 75 11.459 1.968 5.442 1.00 0.00 C ATOM 1076 NE ARG A 75 10.542 2.335 6.517 1.00 0.00 N ATOM 1077 CZ ARG A 75 10.904 2.428 7.792 1.00 0.00 C ATOM 1078 NH1 ARG A 75 12.157 2.182 8.149 1.00 0.00 N ATOM 1079 NH2 ARG A 75 10.011 2.767 8.714 1.00 0.00 N ATOM 0 H ARG A 75 9.908 0.581 1.934 1.00 0.00 H new ATOM 0 HA ARG A 75 10.963 3.182 1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.867 0.731 3.065 1.00 0.00 H new ATOM 0 HB3 ARG A 75 12.797 2.217 3.056 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.876 3.450 4.001 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.903 1.993 3.962 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.634 0.892 5.466 1.00 0.00 H new ATOM 0 HD3 ARG A 75 12.422 2.451 5.606 1.00 0.00 H new ATOM 0 HE ARG A 75 9.570 2.531 6.276 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.846 1.921 7.444 1.00 0.00 H new ATOM 0 HH12 ARG A 75 12.432 2.254 9.129 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.046 2.956 8.444 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.290 2.838 9.693 1.00 0.00 H new ATOM 1093 N LYS A 76 12.258 0.812 -0.217 1.00 0.00 N ATOM 1094 CA LYS A 76 13.242 0.481 -1.240 1.00 0.00 C ATOM 1095 C LYS A 76 13.003 1.295 -2.508 1.00 0.00 C ATOM 1096 O LYS A 76 13.895 1.438 -3.343 1.00 0.00 O ATOM 1097 CB LYS A 76 13.189 -1.014 -1.563 1.00 0.00 C ATOM 1098 CG LYS A 76 13.407 -1.905 -0.353 1.00 0.00 C ATOM 1099 CD LYS A 76 14.886 -2.122 -0.079 1.00 0.00 C ATOM 1100 CE LYS A 76 15.438 -3.287 -0.886 1.00 0.00 C ATOM 1101 NZ LYS A 76 16.721 -3.792 -0.324 1.00 0.00 N ATOM 0 H LYS A 76 11.501 0.135 -0.126 1.00 0.00 H new ATOM 0 HA LYS A 76 14.230 0.728 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.221 -1.247 -2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.946 -1.242 -2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.936 -1.455 0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.921 -2.867 -0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.439 -1.215 -0.323 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.036 -2.311 0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.707 -4.095 -0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.592 -2.973 -1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.065 -4.585 -0.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.427 -3.028 -0.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.569 -4.115 0.653 1.00 0.00 H new ATOM 1115 N GLY A 77 11.792 1.828 -2.645 1.00 0.00 N ATOM 1116 CA GLY A 77 11.459 2.621 -3.813 1.00 0.00 C ATOM 1117 C GLY A 77 12.158 3.966 -3.819 1.00 0.00 C ATOM 1118 O GLY A 77 12.427 4.529 -4.879 1.00 0.00 O ATOM 0 H GLY A 77 11.036 1.724 -1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.732 2.069 -4.713 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.381 2.775 -3.848 1.00 0.00 H new ATOM 1122 N GLY A 78 12.452 4.484 -2.630 1.00 0.00 N ATOM 1123 CA GLY A 78 13.120 5.768 -2.525 1.00 0.00 C ATOM 1124 C GLY A 78 12.171 6.885 -2.138 1.00 0.00 C ATOM 1125 O GLY A 78 11.790 7.010 -0.974 1.00 0.00 O ATOM 0 H GLY A 78 12.239 4.037 -1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.917 5.700 -1.785 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.590 6.009 -3.479 1.00 0.00 H new ATOM 1129 N ASP A 79 11.789 7.701 -3.115 1.00 0.00 N ATOM 1130 CA ASP A 79 10.879 8.814 -2.871 1.00 0.00 C ATOM 1131 C ASP A 79 9.433 8.399 -3.122 1.00 0.00 C ATOM 1132 O ASP A 79 8.558 8.630 -2.288 1.00 0.00 O ATOM 1133 CB ASP A 79 11.244 10.003 -3.761 1.00 0.00 C ATOM 1134 CG ASP A 79 12.564 10.637 -3.368 1.00 0.00 C ATOM 1135 OD1 ASP A 79 12.647 11.194 -2.253 1.00 0.00 O ATOM 1136 OD2 ASP A 79 13.514 10.575 -4.176 1.00 0.00 O ATOM 0 H ASP A 79 12.096 7.612 -4.084 1.00 0.00 H new ATOM 0 HA ASP A 79 10.977 9.109 -1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.297 9.673 -4.799 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.454 10.752 -3.704 1.00 0.00 H new ATOM 1141 N GLN A 80 9.191 7.785 -4.276 1.00 0.00 N ATOM 1142 CA GLN A 80 7.850 7.340 -4.636 1.00 0.00 C ATOM 1143 C GLN A 80 7.814 5.828 -4.835 1.00 0.00 C ATOM 1144 O GLN A 80 8.841 5.200 -5.091 1.00 0.00 O ATOM 1145 CB GLN A 80 7.381 8.045 -5.910 1.00 0.00 C ATOM 1146 CG GLN A 80 7.933 7.428 -7.185 1.00 0.00 C ATOM 1147 CD GLN A 80 7.418 8.114 -8.436 1.00 0.00 C ATOM 1148 OE1 GLN A 80 7.220 9.329 -8.454 1.00 0.00 O ATOM 1149 NE2 GLN A 80 7.197 7.337 -9.490 1.00 0.00 N ATOM 0 H GLN A 80 9.905 7.585 -4.976 1.00 0.00 H new ATOM 0 HA GLN A 80 7.177 7.597 -3.818 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.292 8.023 -5.948 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.677 9.093 -5.865 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.022 7.481 -7.168 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.666 6.372 -7.218 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.375 6.334 -9.431 1.00 0.00 H new ATOM 0 HE22 GLN A 80 6.849 7.743 -10.359 1.00 0.00 H new ATOM 1158 N THR A 81 6.623 5.249 -4.715 1.00 0.00 N ATOM 1159 CA THR A 81 6.453 3.811 -4.880 1.00 0.00 C ATOM 1160 C THR A 81 5.034 3.472 -5.323 1.00 0.00 C ATOM 1161 O THR A 81 4.076 4.148 -4.945 1.00 0.00 O ATOM 1162 CB THR A 81 6.765 3.055 -3.575 1.00 0.00 C ATOM 1163 OG1 THR A 81 6.452 1.666 -3.726 1.00 0.00 O ATOM 1164 CG2 THR A 81 5.974 3.634 -2.411 1.00 0.00 C ATOM 0 H THR A 81 5.762 5.754 -4.504 1.00 0.00 H new ATOM 0 HA THR A 81 7.156 3.496 -5.651 1.00 0.00 H new ATOM 0 HB THR A 81 7.828 3.167 -3.363 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.655 1.192 -2.892 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.211 3.084 -1.500 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.236 4.684 -2.279 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.907 3.550 -2.618 1.00 0.00 H new ATOM 1172 N THR A 82 4.905 2.421 -6.127 1.00 0.00 N ATOM 1173 CA THR A 82 3.602 1.993 -6.622 1.00 0.00 C ATOM 1174 C THR A 82 3.078 0.801 -5.831 1.00 0.00 C ATOM 1175 O THR A 82 3.777 -0.199 -5.659 1.00 0.00 O ATOM 1176 CB THR A 82 3.665 1.617 -8.115 1.00 0.00 C ATOM 1177 OG1 THR A 82 4.162 2.722 -8.878 1.00 0.00 O ATOM 1178 CG2 THR A 82 2.290 1.216 -8.629 1.00 0.00 C ATOM 0 H THR A 82 5.687 1.851 -6.449 1.00 0.00 H new ATOM 0 HA THR A 82 2.923 2.836 -6.495 1.00 0.00 H new ATOM 0 HB THR A 82 4.339 0.768 -8.226 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.201 2.474 -9.825 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.358 0.955 -9.685 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.927 0.357 -8.065 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.598 2.049 -8.505 1.00 0.00 H new ATOM 1186 N LEU A 83 1.845 0.912 -5.350 1.00 0.00 N ATOM 1187 CA LEU A 83 1.226 -0.159 -4.577 1.00 0.00 C ATOM 1188 C LEU A 83 0.058 -0.777 -5.339 1.00 0.00 C ATOM 1189 O LEU A 83 -0.599 -0.109 -6.138 1.00 0.00 O ATOM 1190 CB LEU A 83 0.742 0.374 -3.227 1.00 0.00 C ATOM 1191 CG LEU A 83 1.542 1.537 -2.639 1.00 0.00 C ATOM 1192 CD1 LEU A 83 1.024 1.897 -1.256 1.00 0.00 C ATOM 1193 CD2 LEU A 83 3.023 1.191 -2.583 1.00 0.00 C ATOM 0 H LEU A 83 1.254 1.733 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 83 1.976 -0.932 -4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.295 0.691 -3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.752 -0.447 -2.510 1.00 0.00 H new ATOM 0 HG LEU A 83 1.416 2.404 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.606 2.727 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.024 2.188 -1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.118 1.034 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.577 2.030 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.167 0.310 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.387 0.985 -3.590 1.00 0.00 H new ATOM 1205 N LEU A 84 -0.196 -2.056 -5.087 1.00 0.00 N ATOM 1206 CA LEU A 84 -1.286 -2.765 -5.748 1.00 0.00 C ATOM 1207 C LEU A 84 -2.231 -3.387 -4.725 1.00 0.00 C ATOM 1208 O LEU A 84 -1.947 -4.445 -4.164 1.00 0.00 O ATOM 1209 CB LEU A 84 -0.730 -3.851 -6.670 1.00 0.00 C ATOM 1210 CG LEU A 84 -1.765 -4.696 -7.413 1.00 0.00 C ATOM 1211 CD1 LEU A 84 -2.555 -3.838 -8.389 1.00 0.00 C ATOM 1212 CD2 LEU A 84 -1.089 -5.850 -8.140 1.00 0.00 C ATOM 0 H LEU A 84 0.338 -2.624 -4.429 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.847 -2.044 -6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.081 -3.377 -7.407 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.104 -4.518 -6.077 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.459 -5.110 -6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.287 -4.457 -8.908 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.071 -3.047 -7.844 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.875 -3.394 -9.116 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.841 -6.441 -8.663 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.371 -5.456 -8.860 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.570 -6.481 -7.418 1.00 0.00 H new ATOM 1224 N VAL A 85 -3.358 -2.722 -4.488 1.00 0.00 N ATOM 1225 CA VAL A 85 -4.347 -3.211 -3.534 1.00 0.00 C ATOM 1226 C VAL A 85 -5.590 -3.729 -4.249 1.00 0.00 C ATOM 1227 O VAL A 85 -5.885 -3.328 -5.376 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.762 -2.109 -2.541 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -3.553 -1.287 -2.121 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -5.836 -1.220 -3.149 1.00 0.00 C ATOM 0 H VAL A 85 -3.609 -1.844 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.880 -4.028 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.177 -2.583 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.865 -0.513 -1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.820 -1.936 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.107 -0.821 -3.000 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.117 -0.447 -2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.451 -0.753 -4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.711 -1.822 -3.395 1.00 0.00 H new ATOM 1240 N LEU A 86 -6.317 -4.622 -3.587 1.00 0.00 N ATOM 1241 CA LEU A 86 -7.531 -5.196 -4.159 1.00 0.00 C ATOM 1242 C LEU A 86 -8.747 -4.338 -3.828 1.00 0.00 C ATOM 1243 O LEU A 86 -8.923 -3.906 -2.688 1.00 0.00 O ATOM 1244 CB LEU A 86 -7.740 -6.619 -3.639 1.00 0.00 C ATOM 1245 CG LEU A 86 -8.462 -7.580 -4.584 1.00 0.00 C ATOM 1246 CD1 LEU A 86 -9.882 -7.102 -4.848 1.00 0.00 C ATOM 1247 CD2 LEU A 86 -7.694 -7.721 -5.890 1.00 0.00 C ATOM 0 H LEU A 86 -6.088 -4.965 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.414 -5.225 -5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.765 -7.043 -3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.304 -6.565 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.512 -8.559 -4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.381 -7.798 -5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -10.430 -7.053 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.854 -6.112 -5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.222 -8.409 -6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.612 -6.746 -6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.696 -8.109 -5.685 1.00 0.00 H new ATOM 1259 N ASP A 87 -9.585 -4.096 -4.830 1.00 0.00 N ATOM 1260 CA ASP A 87 -10.787 -3.292 -4.644 1.00 0.00 C ATOM 1261 C ASP A 87 -12.036 -4.088 -5.012 1.00 0.00 C ATOM 1262 O ASP A 87 -12.812 -4.483 -4.142 1.00 0.00 O ATOM 1263 CB ASP A 87 -10.712 -2.020 -5.490 1.00 0.00 C ATOM 1264 CG ASP A 87 -10.021 -2.249 -6.820 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -8.780 -2.381 -6.829 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -10.723 -2.295 -7.853 1.00 0.00 O ATOM 0 H ASP A 87 -9.454 -4.445 -5.779 1.00 0.00 H new ATOM 0 HA ASP A 87 -10.850 -3.016 -3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.720 -1.645 -5.667 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.178 -1.249 -4.935 1.00 0.00 H new ATOM 1271 N LYS A 88 -12.223 -4.320 -6.307 1.00 0.00 N ATOM 1272 CA LYS A 88 -13.376 -5.070 -6.791 1.00 0.00 C ATOM 1273 C LYS A 88 -13.765 -6.167 -5.805 1.00 0.00 C ATOM 1274 O LYS A 88 -14.883 -6.184 -5.292 1.00 0.00 O ATOM 1275 CB LYS A 88 -13.074 -5.683 -8.160 1.00 0.00 C ATOM 1276 CG LYS A 88 -12.711 -4.657 -9.220 1.00 0.00 C ATOM 1277 CD LYS A 88 -13.914 -3.821 -9.621 1.00 0.00 C ATOM 1278 CE LYS A 88 -14.709 -4.486 -10.734 1.00 0.00 C ATOM 1279 NZ LYS A 88 -13.958 -4.500 -12.020 1.00 0.00 N ATOM 0 H LYS A 88 -11.591 -3.999 -7.040 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.213 -4.379 -6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -12.253 -6.393 -8.058 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.944 -6.248 -8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.923 -4.005 -8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -12.311 -5.165 -10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -14.557 -3.668 -8.754 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -13.581 -2.836 -9.949 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -14.953 -5.508 -10.445 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -15.653 -3.959 -10.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -14.620 -4.654 -12.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -13.473 -3.589 -12.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -13.255 -5.267 -12.003 1.00 0.00 H new ATOM 1293 N GLU A 89 -12.835 -7.080 -5.545 1.00 0.00 N ATOM 1294 CA GLU A 89 -13.082 -8.179 -4.620 1.00 0.00 C ATOM 1295 C GLU A 89 -12.165 -8.084 -3.404 1.00 0.00 C ATOM 1296 O GLU A 89 -11.308 -8.940 -3.191 1.00 0.00 O ATOM 1297 CB GLU A 89 -12.876 -9.523 -5.323 1.00 0.00 C ATOM 1298 CG GLU A 89 -13.442 -9.565 -6.733 1.00 0.00 C ATOM 1299 CD GLU A 89 -14.916 -9.920 -6.759 1.00 0.00 C ATOM 1300 OE1 GLU A 89 -15.292 -10.938 -6.142 1.00 0.00 O ATOM 1301 OE2 GLU A 89 -15.692 -9.180 -7.398 1.00 0.00 O ATOM 0 H GLU A 89 -11.904 -7.080 -5.962 1.00 0.00 H new ATOM 0 HA GLU A 89 -14.115 -8.108 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.809 -9.743 -5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.343 -10.309 -4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.297 -8.595 -7.208 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.886 -10.294 -7.322 1.00 0.00 H new ATOM 1308 N ALA A 90 -12.353 -7.035 -2.610 1.00 0.00 N ATOM 1309 CA ALA A 90 -11.545 -6.827 -1.415 1.00 0.00 C ATOM 1310 C ALA A 90 -12.078 -7.644 -0.243 1.00 0.00 C ATOM 1311 O ALA A 90 -11.315 -8.303 0.464 1.00 0.00 O ATOM 1312 CB ALA A 90 -11.505 -5.349 -1.055 1.00 0.00 C ATOM 0 H ALA A 90 -13.058 -6.316 -2.773 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.531 -7.165 -1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.898 -5.209 -0.161 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.071 -4.785 -1.880 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.518 -4.993 -0.866 1.00 0.00 H new ATOM 1318 N GLU A 91 -13.391 -7.596 -0.042 1.00 0.00 N ATOM 1319 CA GLU A 91 -14.025 -8.332 1.046 1.00 0.00 C ATOM 1320 C GLU A 91 -14.803 -9.531 0.512 1.00 0.00 C ATOM 1321 O GLU A 91 -15.984 -9.420 0.181 1.00 0.00 O ATOM 1322 CB GLU A 91 -14.960 -7.413 1.836 1.00 0.00 C ATOM 1323 CG GLU A 91 -16.064 -6.799 0.992 1.00 0.00 C ATOM 1324 CD GLU A 91 -16.642 -5.542 1.614 1.00 0.00 C ATOM 1325 OE1 GLU A 91 -15.870 -4.591 1.857 1.00 0.00 O ATOM 1326 OE2 GLU A 91 -17.866 -5.511 1.859 1.00 0.00 O ATOM 0 H GLU A 91 -14.036 -7.055 -0.618 1.00 0.00 H new ATOM 0 HA GLU A 91 -13.241 -8.697 1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -15.410 -7.980 2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.373 -6.614 2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.672 -6.563 0.003 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -16.860 -7.531 0.853 1.00 0.00 H new ATOM 1333 N SER A 92 -14.133 -10.675 0.429 1.00 0.00 N ATOM 1334 CA SER A 92 -14.759 -11.894 -0.069 1.00 0.00 C ATOM 1335 C SER A 92 -15.085 -12.846 1.078 1.00 0.00 C ATOM 1336 O SER A 92 -14.258 -13.672 1.467 1.00 0.00 O ATOM 1337 CB SER A 92 -13.842 -12.588 -1.078 1.00 0.00 C ATOM 1338 OG SER A 92 -14.546 -13.574 -1.813 1.00 0.00 O ATOM 0 H SER A 92 -13.156 -10.784 0.700 1.00 0.00 H new ATOM 0 HA SER A 92 -15.690 -11.618 -0.564 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.424 -11.850 -1.762 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.004 -13.049 -0.555 1.00 0.00 H new ATOM 0 HG SER A 92 -13.938 -14.002 -2.452 1.00 0.00 H new ATOM 1344 N ILE A 93 -16.294 -12.723 1.616 1.00 0.00 N ATOM 1345 CA ILE A 93 -16.729 -13.572 2.717 1.00 0.00 C ATOM 1346 C ILE A 93 -17.636 -14.693 2.222 1.00 0.00 C ATOM 1347 O ILE A 93 -18.335 -14.543 1.220 1.00 0.00 O ATOM 1348 CB ILE A 93 -17.476 -12.760 3.793 1.00 0.00 C ATOM 1349 CG1 ILE A 93 -18.773 -12.185 3.220 1.00 0.00 C ATOM 1350 CG2 ILE A 93 -16.588 -11.647 4.327 1.00 0.00 C ATOM 1351 CD1 ILE A 93 -19.957 -13.118 3.352 1.00 0.00 C ATOM 0 H ILE A 93 -16.989 -12.044 1.307 1.00 0.00 H new ATOM 0 HA ILE A 93 -15.830 -14.003 3.157 1.00 0.00 H new ATOM 0 HB ILE A 93 -17.729 -13.425 4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -19.001 -11.248 3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -18.622 -11.949 2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -17.129 -11.082 5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -15.689 -12.078 4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -16.308 -10.981 3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -20.842 -12.646 2.925 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -19.749 -14.047 2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -20.134 -13.335 4.406 1.00 0.00 H new ATOM 1363 N TYR A 94 -17.621 -15.816 2.932 1.00 0.00 N ATOM 1364 CA TYR A 94 -18.442 -16.963 2.564 1.00 0.00 C ATOM 1365 C TYR A 94 -18.691 -17.864 3.770 1.00 0.00 C ATOM 1366 O TYR A 94 -17.786 -18.548 4.246 1.00 0.00 O ATOM 1367 CB TYR A 94 -17.767 -17.763 1.448 1.00 0.00 C ATOM 1368 CG TYR A 94 -18.064 -17.237 0.062 1.00 0.00 C ATOM 1369 CD1 TYR A 94 -19.166 -17.688 -0.653 1.00 0.00 C ATOM 1370 CD2 TYR A 94 -17.242 -16.287 -0.532 1.00 0.00 C ATOM 1371 CE1 TYR A 94 -19.440 -17.211 -1.920 1.00 0.00 C ATOM 1372 CE2 TYR A 94 -17.509 -15.803 -1.798 1.00 0.00 C ATOM 1373 CZ TYR A 94 -18.609 -16.268 -2.488 1.00 0.00 C ATOM 1374 OH TYR A 94 -18.879 -15.789 -3.750 1.00 0.00 O ATOM 0 H TYR A 94 -17.049 -15.956 3.765 1.00 0.00 H new ATOM 0 HA TYR A 94 -19.402 -16.590 2.206 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -16.689 -17.755 1.607 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -18.090 -18.802 1.510 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -19.820 -18.425 -0.211 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -16.380 -15.921 0.005 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -20.300 -17.574 -2.463 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -16.860 -15.065 -2.245 1.00 0.00 H new ATOM 0 HH TYR A 94 -18.198 -15.131 -4.003 1.00 0.00 H new ATOM 1384 N SER A 95 -19.927 -17.857 4.260 1.00 0.00 N ATOM 1385 CA SER A 95 -20.297 -18.670 5.412 1.00 0.00 C ATOM 1386 C SER A 95 -21.812 -18.699 5.593 1.00 0.00 C ATOM 1387 O SER A 95 -22.535 -17.894 5.003 1.00 0.00 O ATOM 1388 CB SER A 95 -19.631 -18.129 6.679 1.00 0.00 C ATOM 1389 OG SER A 95 -19.498 -19.144 7.659 1.00 0.00 O ATOM 0 H SER A 95 -20.689 -17.297 3.877 1.00 0.00 H new ATOM 0 HA SER A 95 -19.951 -19.688 5.234 1.00 0.00 H new ATOM 0 HB2 SER A 95 -18.649 -17.726 6.433 1.00 0.00 H new ATOM 0 HB3 SER A 95 -20.222 -17.306 7.081 1.00 0.00 H new ATOM 0 HG SER A 95 -19.068 -18.773 8.458 1.00 0.00 H new ATOM 1395 N LEU A 96 -22.286 -19.631 6.412 1.00 0.00 N ATOM 1396 CA LEU A 96 -23.715 -19.767 6.671 1.00 0.00 C ATOM 1397 C LEU A 96 -23.962 -20.419 8.028 1.00 0.00 C ATOM 1398 O LEU A 96 -23.316 -21.406 8.381 1.00 0.00 O ATOM 1399 CB LEU A 96 -24.377 -20.593 5.567 1.00 0.00 C ATOM 1400 CG LEU A 96 -25.898 -20.733 5.655 1.00 0.00 C ATOM 1401 CD1 LEU A 96 -26.582 -19.552 4.984 1.00 0.00 C ATOM 1402 CD2 LEU A 96 -26.350 -22.043 5.025 1.00 0.00 C ATOM 0 H LEU A 96 -21.702 -20.304 6.908 1.00 0.00 H new ATOM 0 HA LEU A 96 -24.154 -18.769 6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -24.128 -20.144 4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -23.939 -21.591 5.575 1.00 0.00 H new ATOM 0 HG LEU A 96 -26.183 -20.742 6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -27.663 -19.669 5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -26.283 -18.629 5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -26.291 -19.511 3.934 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -27.434 -22.126 5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -26.053 -22.064 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -25.887 -22.878 5.550 1.00 0.00 H new ATOM 1414 N SER A 97 -24.903 -19.862 8.784 1.00 0.00 N ATOM 1415 CA SER A 97 -25.235 -20.388 10.102 1.00 0.00 C ATOM 1416 C SER A 97 -26.724 -20.226 10.393 1.00 0.00 C ATOM 1417 O SER A 97 -27.461 -19.636 9.604 1.00 0.00 O ATOM 1418 CB SER A 97 -24.414 -19.677 11.180 1.00 0.00 C ATOM 1419 OG SER A 97 -24.567 -18.271 11.094 1.00 0.00 O ATOM 0 H SER A 97 -25.449 -19.046 8.506 1.00 0.00 H new ATOM 0 HA SER A 97 -24.994 -21.451 10.112 1.00 0.00 H new ATOM 0 HB2 SER A 97 -24.728 -20.020 12.166 1.00 0.00 H new ATOM 0 HB3 SER A 97 -23.361 -19.939 11.071 1.00 0.00 H new ATOM 0 HG SER A 97 -24.034 -17.840 11.795 1.00 0.00 H new ATOM 1425 N GLY A 98 -27.160 -20.755 11.532 1.00 0.00 N ATOM 1426 CA GLY A 98 -28.558 -20.660 11.908 1.00 0.00 C ATOM 1427 C GLY A 98 -28.767 -19.836 13.163 1.00 0.00 C ATOM 1428 O GLY A 98 -27.902 -19.767 14.037 1.00 0.00 O ATOM 0 H GLY A 98 -26.569 -21.248 12.202 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -29.122 -20.216 11.088 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -28.958 -21.662 12.064 1.00 0.00 H new ATOM 1432 N PRO A 99 -29.938 -19.190 13.264 1.00 0.00 N ATOM 1433 CA PRO A 99 -30.284 -18.354 14.417 1.00 0.00 C ATOM 1434 C PRO A 99 -30.517 -19.176 15.680 1.00 0.00 C ATOM 1435 O PRO A 99 -31.435 -19.994 15.740 1.00 0.00 O ATOM 1436 CB PRO A 99 -31.580 -17.667 13.981 1.00 0.00 C ATOM 1437 CG PRO A 99 -32.175 -18.586 12.971 1.00 0.00 C ATOM 1438 CD PRO A 99 -31.015 -19.227 12.260 1.00 0.00 C ATOM 0 HA PRO A 99 -29.483 -17.661 14.672 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -32.253 -17.518 14.826 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -31.383 -16.684 13.554 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -32.803 -19.338 13.449 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -32.808 -18.040 12.272 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -31.245 -20.248 11.955 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -30.743 -18.678 11.358 1.00 0.00 H new ATOM 1446 N SER A 100 -29.679 -18.954 16.688 1.00 0.00 N ATOM 1447 CA SER A 100 -29.792 -19.677 17.949 1.00 0.00 C ATOM 1448 C SER A 100 -30.604 -18.878 18.963 1.00 0.00 C ATOM 1449 O SER A 100 -30.092 -17.953 19.594 1.00 0.00 O ATOM 1450 CB SER A 100 -28.402 -19.978 18.515 1.00 0.00 C ATOM 1451 OG SER A 100 -28.492 -20.680 19.743 1.00 0.00 O ATOM 0 H SER A 100 -28.915 -18.279 16.656 1.00 0.00 H new ATOM 0 HA SER A 100 -30.309 -20.617 17.755 1.00 0.00 H new ATOM 0 HB2 SER A 100 -27.833 -20.568 17.796 1.00 0.00 H new ATOM 0 HB3 SER A 100 -27.857 -19.046 18.665 1.00 0.00 H new ATOM 0 HG SER A 100 -27.591 -20.861 20.083 1.00 0.00 H new ATOM 1457 N SER A 101 -31.873 -19.242 19.114 1.00 0.00 N ATOM 1458 CA SER A 101 -32.759 -18.556 20.049 1.00 0.00 C ATOM 1459 C SER A 101 -32.953 -19.381 21.318 1.00 0.00 C ATOM 1460 O SER A 101 -32.820 -20.604 21.303 1.00 0.00 O ATOM 1461 CB SER A 101 -34.114 -18.283 19.393 1.00 0.00 C ATOM 1462 OG SER A 101 -34.695 -19.480 18.904 1.00 0.00 O ATOM 0 H SER A 101 -32.311 -20.007 18.602 1.00 0.00 H new ATOM 0 HA SER A 101 -32.296 -17.607 20.320 1.00 0.00 H new ATOM 0 HB2 SER A 101 -34.785 -17.819 20.116 1.00 0.00 H new ATOM 0 HB3 SER A 101 -33.989 -17.575 18.574 1.00 0.00 H new ATOM 0 HG SER A 101 -35.561 -19.279 18.491 1.00 0.00 H new ATOM 1468 N GLY A 102 -33.267 -18.701 22.416 1.00 0.00 N ATOM 1469 CA GLY A 102 -33.474 -19.385 23.679 1.00 0.00 C ATOM 1470 C GLY A 102 -34.400 -18.623 24.606 1.00 0.00 C ATOM 1471 O GLY A 102 -35.456 -19.126 24.990 1.00 0.00 O ATOM 0 H GLY A 102 -33.382 -17.688 22.454 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -33.889 -20.375 23.489 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -32.513 -19.532 24.171 1.00 0.00 H new TER 1475 GLY A 102