USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 544 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 4 MET CE :methyl -158:sc= -0.634 (180deg=-1.17) USER MOD Set 1.2: A 63 CYS SG : rot 150:sc= -1.67 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0218 USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= -0.0619 (180deg=-0.206) USER MOD Single : A 20 SER OG : rot -95:sc= 0.475! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 20:sc= -0.453 USER MOD Single : A 30 THR OG1 : rot -28:sc= 0.0924 USER MOD Single : A 33 SER OG : rot 72:sc= 0.889 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -140:sc= -0.151 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 42 MET CE :methyl -171:sc= 0 (180deg=-0.0505) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 100:sc= -1.68 USER MOD Single : A 57 ASN : amide:sc= -0.0501 X(o=-0.05,f=0) USER MOD Single : A 61 SER OG : rot 151:sc= 1.21 USER MOD Single : A 64 ASN : amide:sc= -0.242 K(o=-0.24,f=0.53) USER MOD Single : A 66 ASN : amide:sc= -0.0202 X(o=-0.02,f=0) USER MOD Single : A 70 MET CE :methyl 178:sc= -3.96! (180deg=-4.06!) USER MOD Single : A 71 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0131) USER MOD Single : A 75 LYS NZ :NH3+ -165:sc= 0.186 (180deg=0.13) USER MOD ----------------------------------------------------------------- ATOM 23 N ASP A 3 7.283 -1.437 -3.138 1.00 0.00 N ATOM 24 CA ASP A 3 7.942 -1.301 -4.432 1.00 0.00 C ATOM 25 C ASP A 3 8.807 -2.521 -4.733 1.00 0.00 C ATOM 26 O ASP A 3 8.921 -2.944 -5.883 1.00 0.00 O ATOM 27 CB ASP A 3 8.798 -0.034 -4.461 1.00 0.00 C ATOM 28 CG ASP A 3 7.962 1.229 -4.533 1.00 0.00 C ATOM 29 OD1 ASP A 3 6.736 1.142 -4.311 1.00 0.00 O ATOM 30 OD2 ASP A 3 8.534 2.304 -4.810 1.00 0.00 O ATOM 0 HA ASP A 3 7.171 -1.227 -5.199 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.424 -0.001 -3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.468 -0.072 -5.320 1.00 0.00 H new ATOM 35 N MET A 4 9.414 -3.081 -3.692 1.00 0.00 N ATOM 36 CA MET A 4 10.268 -4.252 -3.846 1.00 0.00 C ATOM 37 C MET A 4 9.859 -5.355 -2.875 1.00 0.00 C ATOM 38 O MET A 4 9.987 -6.541 -3.179 1.00 0.00 O ATOM 39 CB MET A 4 11.734 -3.875 -3.619 1.00 0.00 C ATOM 40 CG MET A 4 12.003 -3.284 -2.245 1.00 0.00 C ATOM 41 SD MET A 4 11.760 -1.498 -2.197 1.00 0.00 S ATOM 42 CE MET A 4 13.028 -0.953 -3.338 1.00 0.00 C ATOM 0 H MET A 4 9.330 -2.743 -2.733 1.00 0.00 H new ATOM 0 HA MET A 4 10.150 -4.625 -4.863 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.354 -4.762 -3.752 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.038 -3.157 -4.380 1.00 0.00 H new ATOM 0 HG2 MET A 4 11.345 -3.756 -1.516 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.026 -3.516 -1.948 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.276 0.089 -3.136 1.00 0.00 H new ATOM 0 HE2 MET A 4 13.919 -1.568 -3.213 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.662 -1.047 -4.360 1.00 0.00 H new ATOM 52 N GLU A 5 9.366 -4.956 -1.707 1.00 0.00 N ATOM 53 CA GLU A 5 8.940 -5.912 -0.692 1.00 0.00 C ATOM 54 C GLU A 5 7.843 -6.826 -1.232 1.00 0.00 C ATOM 55 O GLU A 5 7.720 -7.978 -0.815 1.00 0.00 O ATOM 56 CB GLU A 5 8.440 -5.178 0.554 1.00 0.00 C ATOM 57 CG GLU A 5 9.554 -4.577 1.395 1.00 0.00 C ATOM 58 CD GLU A 5 10.219 -3.393 0.721 1.00 0.00 C ATOM 59 OE1 GLU A 5 9.502 -2.593 0.083 1.00 0.00 O ATOM 60 OE2 GLU A 5 11.457 -3.266 0.830 1.00 0.00 O ATOM 0 H GLU A 5 9.252 -3.978 -1.440 1.00 0.00 H new ATOM 0 HA GLU A 5 9.800 -6.525 -0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.758 -4.384 0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.866 -5.872 1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.149 -4.263 2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.303 -5.342 1.599 1.00 0.00 H new ATOM 67 N ARG A 6 7.049 -6.302 -2.160 1.00 0.00 N ATOM 68 CA ARG A 6 5.962 -7.069 -2.756 1.00 0.00 C ATOM 69 C ARG A 6 6.505 -8.161 -3.673 1.00 0.00 C ATOM 70 O ARG A 6 5.806 -9.124 -3.990 1.00 0.00 O ATOM 71 CB ARG A 6 5.029 -6.146 -3.542 1.00 0.00 C ATOM 72 CG ARG A 6 3.725 -6.807 -3.956 1.00 0.00 C ATOM 73 CD ARG A 6 3.077 -6.078 -5.123 1.00 0.00 C ATOM 74 NE ARG A 6 3.620 -6.511 -6.408 1.00 0.00 N ATOM 75 CZ ARG A 6 3.344 -7.686 -6.964 1.00 0.00 C ATOM 76 NH1 ARG A 6 2.536 -8.540 -6.352 1.00 0.00 N ATOM 77 NH2 ARG A 6 3.877 -8.008 -8.136 1.00 0.00 N ATOM 0 H ARG A 6 7.138 -5.350 -2.515 1.00 0.00 H new ATOM 0 HA ARG A 6 5.401 -7.542 -1.950 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.805 -5.268 -2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.547 -5.794 -4.434 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.913 -7.844 -4.233 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.039 -6.823 -3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.001 -6.252 -5.107 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.228 -5.005 -5.009 1.00 0.00 H new ATOM 0 HE ARG A 6 4.245 -5.877 -6.906 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.124 -8.296 -5.451 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.326 -9.441 -6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.499 -7.353 -8.611 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.665 -8.910 -8.562 1.00 0.00 H new ATOM 91 N ILE A 7 7.755 -8.003 -4.096 1.00 0.00 N ATOM 92 CA ILE A 7 8.392 -8.975 -4.976 1.00 0.00 C ATOM 93 C ILE A 7 9.342 -9.880 -4.199 1.00 0.00 C ATOM 94 O ILE A 7 9.397 -11.087 -4.434 1.00 0.00 O ATOM 95 CB ILE A 7 9.171 -8.283 -6.109 1.00 0.00 C ATOM 96 CG1 ILE A 7 8.587 -6.896 -6.387 1.00 0.00 C ATOM 97 CG2 ILE A 7 9.145 -9.136 -7.369 1.00 0.00 C ATOM 98 CD1 ILE A 7 9.243 -6.185 -7.550 1.00 0.00 C ATOM 0 H ILE A 7 8.346 -7.211 -3.844 1.00 0.00 H new ATOM 0 HA ILE A 7 7.594 -9.578 -5.411 1.00 0.00 H new ATOM 0 HB ILE A 7 10.208 -8.164 -5.795 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.520 -6.994 -6.587 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.689 -6.282 -5.492 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.700 -8.633 -8.161 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.603 -10.103 -7.163 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.113 -9.284 -7.687 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.778 -5.209 -7.689 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.306 -6.055 -7.345 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.118 -6.778 -8.456 1.00 0.00 H new ATOM 110 N PHE A 8 10.088 -9.289 -3.272 1.00 0.00 N ATOM 111 CA PHE A 8 11.036 -10.041 -2.459 1.00 0.00 C ATOM 112 C PHE A 8 10.344 -11.203 -1.752 1.00 0.00 C ATOM 113 O PHE A 8 10.676 -12.367 -1.975 1.00 0.00 O ATOM 114 CB PHE A 8 11.698 -9.124 -1.429 1.00 0.00 C ATOM 115 CG PHE A 8 12.427 -9.866 -0.346 1.00 0.00 C ATOM 116 CD1 PHE A 8 13.481 -10.711 -0.655 1.00 0.00 C ATOM 117 CD2 PHE A 8 12.058 -9.719 0.982 1.00 0.00 C ATOM 118 CE1 PHE A 8 14.154 -11.395 0.339 1.00 0.00 C ATOM 119 CE2 PHE A 8 12.728 -10.401 1.980 1.00 0.00 C ATOM 120 CZ PHE A 8 13.776 -11.241 1.659 1.00 0.00 C ATOM 0 H PHE A 8 10.054 -8.291 -3.065 1.00 0.00 H new ATOM 0 HA PHE A 8 11.802 -10.445 -3.120 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.398 -8.463 -1.940 1.00 0.00 H new ATOM 0 HB3 PHE A 8 10.936 -8.491 -0.975 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.780 -10.836 -1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 8 11.238 -9.065 1.240 1.00 0.00 H new ATOM 0 HE1 PHE A 8 14.975 -12.049 0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.432 -10.277 3.011 1.00 0.00 H new ATOM 0 HZ PHE A 8 14.299 -11.776 2.438 1.00 0.00 H new ATOM 130 N LYS A 9 9.380 -10.877 -0.897 1.00 0.00 N ATOM 131 CA LYS A 9 8.640 -11.892 -0.156 1.00 0.00 C ATOM 132 C LYS A 9 8.060 -12.940 -1.100 1.00 0.00 C ATOM 133 O LYS A 9 7.891 -14.100 -0.725 1.00 0.00 O ATOM 134 CB LYS A 9 7.516 -11.242 0.654 1.00 0.00 C ATOM 135 CG LYS A 9 8.013 -10.318 1.752 1.00 0.00 C ATOM 136 CD LYS A 9 6.863 -9.755 2.570 1.00 0.00 C ATOM 137 CE LYS A 9 7.362 -9.049 3.822 1.00 0.00 C ATOM 138 NZ LYS A 9 8.140 -7.823 3.494 1.00 0.00 N ATOM 0 H LYS A 9 9.093 -9.918 -0.700 1.00 0.00 H new ATOM 0 HA LYS A 9 9.332 -12.386 0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.873 -10.677 -0.021 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.902 -12.024 1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.694 -10.862 2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.582 -9.500 1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.290 -9.056 1.961 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.186 -10.562 2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.513 -8.783 4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.986 -9.731 4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.462 -7.371 4.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.964 -8.080 2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.538 -7.161 2.965 1.00 0.00 H new ATOM 152 N ARG A 10 7.759 -12.524 -2.326 1.00 0.00 N ATOM 153 CA ARG A 10 7.198 -13.428 -3.323 1.00 0.00 C ATOM 154 C ARG A 10 8.216 -14.489 -3.728 1.00 0.00 C ATOM 155 O ARG A 10 7.920 -15.684 -3.718 1.00 0.00 O ATOM 156 CB ARG A 10 6.745 -12.643 -4.556 1.00 0.00 C ATOM 157 CG ARG A 10 5.250 -12.724 -4.814 1.00 0.00 C ATOM 158 CD ARG A 10 4.450 -12.218 -3.624 1.00 0.00 C ATOM 159 NE ARG A 10 3.775 -13.303 -2.916 1.00 0.00 N ATOM 160 CZ ARG A 10 3.229 -13.168 -1.714 1.00 0.00 C ATOM 161 NH1 ARG A 10 3.276 -12.001 -1.087 1.00 0.00 N ATOM 162 NH2 ARG A 10 2.632 -14.202 -1.135 1.00 0.00 N ATOM 0 H ARG A 10 7.894 -11.567 -2.653 1.00 0.00 H new ATOM 0 HA ARG A 10 6.335 -13.927 -2.881 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.028 -11.597 -4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.277 -13.018 -5.430 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.000 -12.137 -5.698 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.972 -13.756 -5.028 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.115 -11.695 -2.936 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.711 -11.493 -3.966 1.00 0.00 H new ATOM 0 HE ARG A 10 3.720 -14.214 -3.371 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.733 -11.203 -1.528 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.855 -11.901 -0.163 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.592 -15.102 -1.614 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.213 -14.097 -0.211 1.00 0.00 H new ATOM 176 N PHE A 11 9.417 -14.045 -4.085 1.00 0.00 N ATOM 177 CA PHE A 11 10.479 -14.956 -4.495 1.00 0.00 C ATOM 178 C PHE A 11 11.170 -15.568 -3.280 1.00 0.00 C ATOM 179 O PHE A 11 12.101 -16.362 -3.417 1.00 0.00 O ATOM 180 CB PHE A 11 11.503 -14.222 -5.363 1.00 0.00 C ATOM 181 CG PHE A 11 10.947 -13.745 -6.674 1.00 0.00 C ATOM 182 CD1 PHE A 11 10.329 -14.631 -7.542 1.00 0.00 C ATOM 183 CD2 PHE A 11 11.041 -12.412 -7.038 1.00 0.00 C ATOM 184 CE1 PHE A 11 9.816 -14.195 -8.750 1.00 0.00 C ATOM 185 CE2 PHE A 11 10.530 -11.970 -8.244 1.00 0.00 C ATOM 186 CZ PHE A 11 9.916 -12.863 -9.100 1.00 0.00 C ATOM 0 H PHE A 11 9.679 -13.059 -4.099 1.00 0.00 H new ATOM 0 HA PHE A 11 10.029 -15.760 -5.078 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.890 -13.367 -4.809 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.346 -14.885 -5.555 1.00 0.00 H new ATOM 0 HD1 PHE A 11 10.247 -15.674 -7.272 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.519 -11.709 -6.372 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.338 -14.895 -9.419 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.611 -10.928 -8.516 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.515 -12.520 -10.042 1.00 0.00 H new ATOM 196 N ASP A 12 10.708 -15.192 -2.093 1.00 0.00 N ATOM 197 CA ASP A 12 11.280 -15.703 -0.853 1.00 0.00 C ATOM 198 C ASP A 12 10.539 -16.952 -0.387 1.00 0.00 C ATOM 199 O ASP A 12 10.139 -17.054 0.774 1.00 0.00 O ATOM 200 CB ASP A 12 11.232 -14.630 0.236 1.00 0.00 C ATOM 201 CG ASP A 12 11.944 -15.060 1.504 1.00 0.00 C ATOM 202 OD1 ASP A 12 12.497 -16.180 1.524 1.00 0.00 O ATOM 203 OD2 ASP A 12 11.949 -14.276 2.476 1.00 0.00 O ATOM 0 H ASP A 12 9.939 -14.535 -1.963 1.00 0.00 H new ATOM 0 HA ASP A 12 12.320 -15.969 -1.044 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.687 -13.714 -0.140 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.193 -14.397 0.467 1.00 0.00 H new ATOM 208 N THR A 13 10.358 -17.902 -1.299 1.00 0.00 N ATOM 209 CA THR A 13 9.664 -19.143 -0.983 1.00 0.00 C ATOM 210 C THR A 13 10.651 -20.275 -0.721 1.00 0.00 C ATOM 211 O THR A 13 10.262 -21.436 -0.608 1.00 0.00 O ATOM 212 CB THR A 13 8.712 -19.560 -2.120 1.00 0.00 C ATOM 213 OG1 THR A 13 9.279 -19.207 -3.387 1.00 0.00 O ATOM 214 CG2 THR A 13 7.355 -18.892 -1.963 1.00 0.00 C ATOM 0 H THR A 13 10.683 -17.835 -2.263 1.00 0.00 H new ATOM 0 HA THR A 13 9.081 -18.957 -0.081 1.00 0.00 H new ATOM 0 HB THR A 13 8.575 -20.640 -2.071 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.669 -19.477 -4.105 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.700 -19.202 -2.778 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.913 -19.185 -1.011 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.477 -17.809 -1.988 1.00 0.00 H new ATOM 255 N GLY A 17 15.388 -17.000 3.369 1.00 0.00 N ATOM 256 CA GLY A 17 15.048 -15.600 3.197 1.00 0.00 C ATOM 257 C GLY A 17 15.617 -15.016 1.919 1.00 0.00 C ATOM 258 O GLY A 17 15.434 -13.834 1.631 1.00 0.00 O ATOM 0 HA2 GLY A 17 13.963 -15.491 3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.420 -15.032 4.049 1.00 0.00 H new ATOM 262 N LYS A 18 16.313 -15.847 1.150 1.00 0.00 N ATOM 263 CA LYS A 18 16.913 -15.409 -0.104 1.00 0.00 C ATOM 264 C LYS A 18 15.964 -15.649 -1.274 1.00 0.00 C ATOM 265 O LYS A 18 14.877 -16.200 -1.101 1.00 0.00 O ATOM 266 CB LYS A 18 18.234 -16.142 -0.346 1.00 0.00 C ATOM 267 CG LYS A 18 19.065 -16.328 0.912 1.00 0.00 C ATOM 268 CD LYS A 18 20.450 -16.864 0.591 1.00 0.00 C ATOM 269 CE LYS A 18 21.267 -15.857 -0.204 1.00 0.00 C ATOM 270 NZ LYS A 18 22.720 -16.184 -0.187 1.00 0.00 N ATOM 0 H LYS A 18 16.475 -16.829 1.374 1.00 0.00 H new ATOM 0 HA LYS A 18 17.108 -14.339 -0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 18 18.023 -17.119 -0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 18 18.819 -15.587 -1.079 1.00 0.00 H new ATOM 0 HG2 LYS A 18 19.155 -15.375 1.434 1.00 0.00 H new ATOM 0 HG3 LYS A 18 18.555 -17.015 1.587 1.00 0.00 H new ATOM 0 HD2 LYS A 18 20.971 -17.107 1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 18 20.360 -17.790 0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 18 20.912 -15.834 -1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 18 21.114 -14.859 0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 23.220 -15.581 -0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 23.102 -16.017 0.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.854 -17.183 -0.443 1.00 0.00 H new ATOM 284 N ILE A 19 16.384 -15.234 -2.465 1.00 0.00 N ATOM 285 CA ILE A 19 15.572 -15.407 -3.663 1.00 0.00 C ATOM 286 C ILE A 19 16.445 -15.670 -4.885 1.00 0.00 C ATOM 287 O ILE A 19 17.450 -14.993 -5.101 1.00 0.00 O ATOM 288 CB ILE A 19 14.693 -14.171 -3.931 1.00 0.00 C ATOM 289 CG1 ILE A 19 15.568 -12.940 -4.180 1.00 0.00 C ATOM 290 CG2 ILE A 19 13.749 -13.929 -2.763 1.00 0.00 C ATOM 291 CD1 ILE A 19 14.778 -11.697 -4.525 1.00 0.00 C ATOM 0 H ILE A 19 17.281 -14.776 -2.626 1.00 0.00 H new ATOM 0 HA ILE A 19 14.929 -16.269 -3.486 1.00 0.00 H new ATOM 0 HB ILE A 19 14.095 -14.355 -4.824 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.168 -12.745 -3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 19 16.263 -13.156 -4.992 1.00 0.00 H new ATOM 0 HG21 ILE A 19 13.135 -13.052 -2.967 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.106 -14.799 -2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 19 14.329 -13.762 -1.855 1.00 0.00 H new ATOM 0 HD11 ILE A 19 15.462 -10.865 -4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 19 14.199 -11.874 -5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 19 14.102 -11.456 -3.704 1.00 0.00 H new ATOM 303 N SER A 20 16.054 -16.658 -5.683 1.00 0.00 N ATOM 304 CA SER A 20 16.801 -17.013 -6.884 1.00 0.00 C ATOM 305 C SER A 20 16.710 -15.905 -7.928 1.00 0.00 C ATOM 306 O SER A 20 15.739 -15.826 -8.683 1.00 0.00 O ATOM 307 CB SER A 20 16.276 -18.326 -7.468 1.00 0.00 C ATOM 308 OG SER A 20 15.636 -19.107 -6.474 1.00 0.00 O ATOM 0 H SER A 20 15.224 -17.227 -5.520 1.00 0.00 H new ATOM 0 HA SER A 20 17.847 -17.141 -6.607 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.575 -18.114 -8.275 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.101 -18.890 -7.902 1.00 0.00 H new ATOM 0 HG SER A 20 16.275 -19.751 -6.102 1.00 0.00 H new ATOM 314 N LEU A 21 17.727 -15.052 -7.967 1.00 0.00 N ATOM 315 CA LEU A 21 17.763 -13.947 -8.919 1.00 0.00 C ATOM 316 C LEU A 21 17.442 -14.432 -10.328 1.00 0.00 C ATOM 317 O LEU A 21 16.663 -13.806 -11.049 1.00 0.00 O ATOM 318 CB LEU A 21 19.137 -13.275 -8.899 1.00 0.00 C ATOM 319 CG LEU A 21 20.289 -14.119 -8.349 1.00 0.00 C ATOM 320 CD1 LEU A 21 21.536 -13.939 -9.200 1.00 0.00 C ATOM 321 CD2 LEU A 21 20.572 -13.754 -6.900 1.00 0.00 C ATOM 0 H LEU A 21 18.538 -15.104 -7.351 1.00 0.00 H new ATOM 0 HA LEU A 21 17.006 -13.221 -8.624 1.00 0.00 H new ATOM 0 HB2 LEU A 21 19.387 -12.974 -9.916 1.00 0.00 H new ATOM 0 HB3 LEU A 21 19.065 -12.364 -8.305 1.00 0.00 H new ATOM 0 HG LEU A 21 19.997 -15.168 -8.388 1.00 0.00 H new ATOM 0 HD11 LEU A 21 22.345 -14.547 -8.794 1.00 0.00 H new ATOM 0 HD12 LEU A 21 21.326 -14.251 -10.223 1.00 0.00 H new ATOM 0 HD13 LEU A 21 21.832 -12.890 -9.194 1.00 0.00 H new ATOM 0 HD21 LEU A 21 21.394 -14.364 -6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.844 -12.700 -6.837 1.00 0.00 H new ATOM 0 HD23 LEU A 21 19.681 -13.936 -6.298 1.00 0.00 H new ATOM 333 N SER A 22 18.044 -15.552 -10.715 1.00 0.00 N ATOM 334 CA SER A 22 17.823 -16.121 -12.040 1.00 0.00 C ATOM 335 C SER A 22 16.333 -16.193 -12.358 1.00 0.00 C ATOM 336 O SER A 22 15.931 -16.100 -13.517 1.00 0.00 O ATOM 337 CB SER A 22 18.444 -17.516 -12.128 1.00 0.00 C ATOM 338 OG SER A 22 17.859 -18.395 -11.183 1.00 0.00 O ATOM 0 H SER A 22 18.689 -16.084 -10.130 1.00 0.00 H new ATOM 0 HA SER A 22 18.302 -15.471 -12.773 1.00 0.00 H new ATOM 0 HB2 SER A 22 18.308 -17.915 -13.133 1.00 0.00 H new ATOM 0 HB3 SER A 22 19.518 -17.451 -11.953 1.00 0.00 H new ATOM 0 HG SER A 22 18.272 -19.280 -11.261 1.00 0.00 H new ATOM 344 N GLU A 23 15.520 -16.359 -11.320 1.00 0.00 N ATOM 345 CA GLU A 23 14.074 -16.445 -11.489 1.00 0.00 C ATOM 346 C GLU A 23 13.440 -15.057 -11.466 1.00 0.00 C ATOM 347 O GLU A 23 12.435 -14.810 -12.133 1.00 0.00 O ATOM 348 CB GLU A 23 13.460 -17.316 -10.391 1.00 0.00 C ATOM 349 CG GLU A 23 13.369 -18.787 -10.761 1.00 0.00 C ATOM 350 CD GLU A 23 12.286 -19.065 -11.785 1.00 0.00 C ATOM 351 OE1 GLU A 23 11.105 -19.155 -11.388 1.00 0.00 O ATOM 352 OE2 GLU A 23 12.618 -19.193 -12.981 1.00 0.00 O ATOM 0 H GLU A 23 15.837 -16.437 -10.354 1.00 0.00 H new ATOM 0 HA GLU A 23 13.874 -16.901 -12.459 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.055 -17.214 -9.483 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.461 -16.945 -10.161 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.330 -19.119 -11.155 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.173 -19.372 -9.863 1.00 0.00 H new ATOM 359 N LEU A 24 14.035 -14.155 -10.693 1.00 0.00 N ATOM 360 CA LEU A 24 13.529 -12.791 -10.581 1.00 0.00 C ATOM 361 C LEU A 24 13.816 -11.998 -11.852 1.00 0.00 C ATOM 362 O LEU A 24 12.905 -11.450 -12.475 1.00 0.00 O ATOM 363 CB LEU A 24 14.159 -12.090 -9.376 1.00 0.00 C ATOM 364 CG LEU A 24 13.594 -10.711 -9.031 1.00 0.00 C ATOM 365 CD1 LEU A 24 13.746 -10.429 -7.545 1.00 0.00 C ATOM 366 CD2 LEU A 24 14.282 -9.632 -9.854 1.00 0.00 C ATOM 0 H LEU A 24 14.868 -14.343 -10.135 1.00 0.00 H new ATOM 0 HA LEU A 24 12.449 -12.840 -10.441 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.045 -12.735 -8.505 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.229 -11.987 -9.559 1.00 0.00 H new ATOM 0 HG LEU A 24 12.532 -10.703 -9.274 1.00 0.00 H new ATOM 0 HD11 LEU A 24 13.339 -9.444 -7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 24 13.207 -11.185 -6.974 1.00 0.00 H new ATOM 0 HD13 LEU A 24 14.802 -10.456 -7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 24 13.868 -8.658 -9.596 1.00 0.00 H new ATOM 0 HD22 LEU A 24 15.351 -9.639 -9.642 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.121 -9.825 -10.915 1.00 0.00 H new ATOM 378 N THR A 25 15.088 -11.942 -12.234 1.00 0.00 N ATOM 379 CA THR A 25 15.496 -11.217 -13.432 1.00 0.00 C ATOM 380 C THR A 25 14.692 -11.667 -14.647 1.00 0.00 C ATOM 381 O THR A 25 14.527 -10.915 -15.607 1.00 0.00 O ATOM 382 CB THR A 25 16.996 -11.410 -13.722 1.00 0.00 C ATOM 383 OG1 THR A 25 17.371 -10.659 -14.881 1.00 0.00 O ATOM 384 CG2 THR A 25 17.320 -12.881 -13.938 1.00 0.00 C ATOM 0 H THR A 25 15.854 -12.390 -11.731 1.00 0.00 H new ATOM 0 HA THR A 25 15.304 -10.161 -13.244 1.00 0.00 H new ATOM 0 HB THR A 25 17.559 -11.053 -12.860 1.00 0.00 H new ATOM 0 HG1 THR A 25 16.709 -9.954 -15.043 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.385 -12.993 -14.141 1.00 0.00 H new ATOM 0 HG22 THR A 25 17.060 -13.446 -13.043 1.00 0.00 H new ATOM 0 HG23 THR A 25 16.747 -13.259 -14.785 1.00 0.00 H new ATOM 392 N ASP A 26 14.194 -12.898 -14.598 1.00 0.00 N ATOM 393 CA ASP A 26 13.406 -13.448 -15.695 1.00 0.00 C ATOM 394 C ASP A 26 11.913 -13.280 -15.428 1.00 0.00 C ATOM 395 O ASP A 26 11.101 -13.308 -16.352 1.00 0.00 O ATOM 396 CB ASP A 26 13.738 -14.927 -15.898 1.00 0.00 C ATOM 397 CG ASP A 26 13.420 -15.404 -17.301 1.00 0.00 C ATOM 398 OD1 ASP A 26 12.277 -15.853 -17.531 1.00 0.00 O ATOM 399 OD2 ASP A 26 14.313 -15.327 -18.170 1.00 0.00 O ATOM 0 H ASP A 26 14.322 -13.534 -13.811 1.00 0.00 H new ATOM 0 HA ASP A 26 13.658 -12.900 -16.603 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.796 -15.090 -15.693 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.178 -15.524 -15.179 1.00 0.00 H new ATOM 404 N ALA A 27 11.560 -13.108 -14.159 1.00 0.00 N ATOM 405 CA ALA A 27 10.165 -12.935 -13.771 1.00 0.00 C ATOM 406 C ALA A 27 9.803 -11.457 -13.667 1.00 0.00 C ATOM 407 O ALA A 27 8.835 -11.090 -13.000 1.00 0.00 O ATOM 408 CB ALA A 27 9.893 -13.641 -12.451 1.00 0.00 C ATOM 0 H ALA A 27 12.220 -13.085 -13.382 1.00 0.00 H new ATOM 0 HA ALA A 27 9.540 -13.381 -14.545 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.848 -13.504 -12.173 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.103 -14.705 -12.558 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.533 -13.221 -11.675 1.00 0.00 H new ATOM 414 N LEU A 28 10.586 -10.613 -14.331 1.00 0.00 N ATOM 415 CA LEU A 28 10.348 -9.174 -14.313 1.00 0.00 C ATOM 416 C LEU A 28 9.677 -8.717 -15.604 1.00 0.00 C ATOM 417 O LEU A 28 8.634 -8.063 -15.575 1.00 0.00 O ATOM 418 CB LEU A 28 11.665 -8.422 -14.116 1.00 0.00 C ATOM 419 CG LEU A 28 12.080 -8.163 -12.667 1.00 0.00 C ATOM 420 CD1 LEU A 28 13.594 -8.196 -12.531 1.00 0.00 C ATOM 421 CD2 LEU A 28 11.528 -6.830 -12.184 1.00 0.00 C ATOM 0 H LEU A 28 11.391 -10.900 -14.888 1.00 0.00 H new ATOM 0 HA LEU A 28 9.681 -8.951 -13.480 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.459 -8.986 -14.605 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.593 -7.463 -14.629 1.00 0.00 H new ATOM 0 HG LEU A 28 11.663 -8.954 -12.043 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.870 -8.010 -11.493 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.965 -9.175 -12.835 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.033 -7.427 -13.167 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.833 -6.663 -11.151 1.00 0.00 H new ATOM 0 HD22 LEU A 28 11.915 -6.027 -12.811 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.440 -6.844 -12.243 1.00 0.00 H new ATOM 433 N ARG A 29 10.280 -9.068 -16.735 1.00 0.00 N ATOM 434 CA ARG A 29 9.740 -8.695 -18.037 1.00 0.00 C ATOM 435 C ARG A 29 8.309 -9.200 -18.197 1.00 0.00 C ATOM 436 O ARG A 29 7.537 -8.669 -18.996 1.00 0.00 O ATOM 437 CB ARG A 29 10.619 -9.255 -19.157 1.00 0.00 C ATOM 438 CG ARG A 29 10.500 -8.490 -20.464 1.00 0.00 C ATOM 439 CD ARG A 29 11.206 -9.214 -21.600 1.00 0.00 C ATOM 440 NE ARG A 29 11.168 -8.451 -22.844 1.00 0.00 N ATOM 441 CZ ARG A 29 11.998 -8.659 -23.860 1.00 0.00 C ATOM 442 NH1 ARG A 29 12.926 -9.602 -23.779 1.00 0.00 N ATOM 443 NH2 ARG A 29 11.901 -7.922 -24.959 1.00 0.00 N ATOM 0 H ARG A 29 11.143 -9.610 -16.776 1.00 0.00 H new ATOM 0 HA ARG A 29 9.732 -7.607 -18.101 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.659 -9.242 -18.832 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.352 -10.297 -19.330 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.448 -8.357 -20.714 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.927 -7.494 -20.344 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.243 -9.401 -21.321 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.738 -10.186 -21.757 1.00 0.00 H new ATOM 0 HE ARG A 29 10.465 -7.718 -22.938 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.004 -10.170 -22.935 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.562 -9.760 -24.560 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.189 -7.195 -25.024 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.539 -8.082 -25.739 1.00 0.00 H new ATOM 457 N THR A 30 7.961 -10.229 -17.431 1.00 0.00 N ATOM 458 CA THR A 30 6.625 -10.807 -17.489 1.00 0.00 C ATOM 459 C THR A 30 5.628 -9.969 -16.696 1.00 0.00 C ATOM 460 O THR A 30 4.415 -10.123 -16.845 1.00 0.00 O ATOM 461 CB THR A 30 6.612 -12.249 -16.946 1.00 0.00 C ATOM 462 OG1 THR A 30 5.329 -12.844 -17.167 1.00 0.00 O ATOM 463 CG2 THR A 30 6.938 -12.270 -15.460 1.00 0.00 C ATOM 0 H THR A 30 8.587 -10.679 -16.763 1.00 0.00 H new ATOM 0 HA THR A 30 6.332 -10.819 -18.539 1.00 0.00 H new ATOM 0 HB THR A 30 7.373 -12.821 -17.477 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.642 -12.145 -17.178 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.923 -13.298 -15.099 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.928 -11.843 -15.299 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.197 -11.684 -14.917 1.00 0.00 H new ATOM 471 N LEU A 31 6.147 -9.082 -15.854 1.00 0.00 N ATOM 472 CA LEU A 31 5.302 -8.217 -15.038 1.00 0.00 C ATOM 473 C LEU A 31 5.201 -6.822 -15.646 1.00 0.00 C ATOM 474 O LEU A 31 4.687 -5.897 -15.020 1.00 0.00 O ATOM 475 CB LEU A 31 5.856 -8.127 -13.615 1.00 0.00 C ATOM 476 CG LEU A 31 6.281 -9.449 -12.974 1.00 0.00 C ATOM 477 CD1 LEU A 31 7.042 -9.195 -11.682 1.00 0.00 C ATOM 478 CD2 LEU A 31 5.068 -10.331 -12.716 1.00 0.00 C ATOM 0 H LEU A 31 7.148 -8.943 -15.719 1.00 0.00 H new ATOM 0 HA LEU A 31 4.303 -8.651 -15.006 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.716 -7.458 -13.623 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.099 -7.666 -12.981 1.00 0.00 H new ATOM 0 HG LEU A 31 6.943 -9.970 -13.666 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.336 -10.147 -11.240 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.932 -8.603 -11.894 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.404 -8.653 -10.984 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.389 -11.267 -12.260 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.381 -9.817 -12.044 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.564 -10.541 -13.659 1.00 0.00 H new ATOM 490 N GLY A 32 5.694 -6.680 -16.873 1.00 0.00 N ATOM 491 CA GLY A 32 5.647 -5.396 -17.547 1.00 0.00 C ATOM 492 C GLY A 32 6.910 -4.584 -17.335 1.00 0.00 C ATOM 493 O GLY A 32 6.849 -3.422 -16.933 1.00 0.00 O ATOM 0 H GLY A 32 6.125 -7.431 -17.412 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.496 -5.555 -18.615 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.789 -4.830 -17.184 1.00 0.00 H new ATOM 497 N SER A 33 8.058 -5.198 -17.604 1.00 0.00 N ATOM 498 CA SER A 33 9.341 -4.526 -17.435 1.00 0.00 C ATOM 499 C SER A 33 10.136 -4.539 -18.738 1.00 0.00 C ATOM 500 O SER A 33 9.868 -5.338 -19.635 1.00 0.00 O ATOM 501 CB SER A 33 10.150 -5.198 -16.324 1.00 0.00 C ATOM 502 OG SER A 33 9.315 -5.579 -15.245 1.00 0.00 O ATOM 0 H SER A 33 8.126 -6.159 -17.940 1.00 0.00 H new ATOM 0 HA SER A 33 9.147 -3.490 -17.158 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.660 -6.076 -16.721 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.921 -4.515 -15.968 1.00 0.00 H new ATOM 0 HG SER A 33 8.762 -6.343 -15.513 1.00 0.00 H new ATOM 508 N THR A 34 11.117 -3.647 -18.833 1.00 0.00 N ATOM 509 CA THR A 34 11.951 -3.553 -20.025 1.00 0.00 C ATOM 510 C THR A 34 13.432 -3.564 -19.662 1.00 0.00 C ATOM 511 O THR A 34 14.295 -3.425 -20.529 1.00 0.00 O ATOM 512 CB THR A 34 11.641 -2.276 -20.829 1.00 0.00 C ATOM 513 OG1 THR A 34 10.469 -1.641 -20.307 1.00 0.00 O ATOM 514 CG2 THR A 34 11.436 -2.600 -22.301 1.00 0.00 C ATOM 0 H THR A 34 11.353 -2.979 -18.099 1.00 0.00 H new ATOM 0 HA THR A 34 11.723 -4.424 -20.639 1.00 0.00 H new ATOM 0 HB THR A 34 12.491 -1.600 -20.737 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.280 -0.829 -20.822 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.218 -1.683 -22.849 1.00 0.00 H new ATOM 0 HG22 THR A 34 12.341 -3.056 -22.703 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.602 -3.293 -22.408 1.00 0.00 H new ATOM 522 N SER A 35 13.720 -3.732 -18.375 1.00 0.00 N ATOM 523 CA SER A 35 15.097 -3.758 -17.897 1.00 0.00 C ATOM 524 C SER A 35 15.356 -5.003 -17.054 1.00 0.00 C ATOM 525 O SER A 35 15.870 -4.916 -15.939 1.00 0.00 O ATOM 526 CB SER A 35 15.399 -2.502 -17.077 1.00 0.00 C ATOM 527 OG SER A 35 14.493 -2.369 -15.996 1.00 0.00 O ATOM 0 H SER A 35 13.018 -3.852 -17.645 1.00 0.00 H new ATOM 0 HA SER A 35 15.756 -3.784 -18.765 1.00 0.00 H new ATOM 0 HB2 SER A 35 16.419 -2.549 -16.697 1.00 0.00 H new ATOM 0 HB3 SER A 35 15.338 -1.622 -17.718 1.00 0.00 H new ATOM 0 HG SER A 35 14.243 -1.427 -15.893 1.00 0.00 H new ATOM 533 N ALA A 36 14.995 -6.162 -17.596 1.00 0.00 N ATOM 534 CA ALA A 36 15.190 -7.426 -16.896 1.00 0.00 C ATOM 535 C ALA A 36 16.390 -8.183 -17.454 1.00 0.00 C ATOM 536 O ALA A 36 17.129 -8.829 -16.710 1.00 0.00 O ATOM 537 CB ALA A 36 13.934 -8.280 -16.990 1.00 0.00 C ATOM 0 H ALA A 36 14.566 -6.252 -18.517 1.00 0.00 H new ATOM 0 HA ALA A 36 15.389 -7.206 -15.847 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.093 -9.221 -16.463 1.00 0.00 H new ATOM 0 HB2 ALA A 36 13.097 -7.748 -16.537 1.00 0.00 H new ATOM 0 HB3 ALA A 36 13.710 -8.484 -18.037 1.00 0.00 H new ATOM 543 N ASP A 37 16.578 -8.101 -18.766 1.00 0.00 N ATOM 544 CA ASP A 37 17.689 -8.779 -19.424 1.00 0.00 C ATOM 545 C ASP A 37 19.017 -8.124 -19.059 1.00 0.00 C ATOM 546 O ASP A 37 20.072 -8.751 -19.143 1.00 0.00 O ATOM 547 CB ASP A 37 17.497 -8.763 -20.941 1.00 0.00 C ATOM 548 CG ASP A 37 18.726 -9.249 -21.685 1.00 0.00 C ATOM 549 OD1 ASP A 37 19.327 -10.252 -21.246 1.00 0.00 O ATOM 550 OD2 ASP A 37 19.086 -8.627 -22.706 1.00 0.00 O ATOM 0 H ASP A 37 15.975 -7.571 -19.396 1.00 0.00 H new ATOM 0 HA ASP A 37 17.708 -9.813 -19.079 1.00 0.00 H new ATOM 0 HB2 ASP A 37 16.645 -9.391 -21.203 1.00 0.00 H new ATOM 0 HB3 ASP A 37 17.258 -7.750 -21.263 1.00 0.00 H new ATOM 555 N GLU A 38 18.957 -6.858 -18.656 1.00 0.00 N ATOM 556 CA GLU A 38 20.156 -6.119 -18.281 1.00 0.00 C ATOM 557 C GLU A 38 20.920 -6.845 -17.177 1.00 0.00 C ATOM 558 O GLU A 38 22.109 -7.131 -17.315 1.00 0.00 O ATOM 559 CB GLU A 38 19.788 -4.707 -17.818 1.00 0.00 C ATOM 560 CG GLU A 38 19.339 -3.794 -18.947 1.00 0.00 C ATOM 561 CD GLU A 38 20.502 -3.113 -19.643 1.00 0.00 C ATOM 562 OE1 GLU A 38 21.403 -3.829 -20.129 1.00 0.00 O ATOM 563 OE2 GLU A 38 20.511 -1.866 -19.701 1.00 0.00 O ATOM 0 H GLU A 38 18.091 -6.324 -18.581 1.00 0.00 H new ATOM 0 HA GLU A 38 20.798 -6.050 -19.159 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.992 -4.773 -17.077 1.00 0.00 H new ATOM 0 HB3 GLU A 38 20.650 -4.260 -17.322 1.00 0.00 H new ATOM 0 HG2 GLU A 38 18.774 -4.375 -19.676 1.00 0.00 H new ATOM 0 HG3 GLU A 38 18.664 -3.036 -18.550 1.00 0.00 H new ATOM 570 N VAL A 39 20.227 -7.139 -16.081 1.00 0.00 N ATOM 571 CA VAL A 39 20.839 -7.831 -14.953 1.00 0.00 C ATOM 572 C VAL A 39 20.821 -9.342 -15.160 1.00 0.00 C ATOM 573 O VAL A 39 21.482 -10.085 -14.436 1.00 0.00 O ATOM 574 CB VAL A 39 20.121 -7.496 -13.632 1.00 0.00 C ATOM 575 CG1 VAL A 39 18.634 -7.800 -13.741 1.00 0.00 C ATOM 576 CG2 VAL A 39 20.747 -8.262 -12.477 1.00 0.00 C ATOM 0 H VAL A 39 19.242 -6.909 -15.951 1.00 0.00 H new ATOM 0 HA VAL A 39 21.872 -7.487 -14.893 1.00 0.00 H new ATOM 0 HB VAL A 39 20.236 -6.430 -13.436 1.00 0.00 H new ATOM 0 HG11 VAL A 39 18.143 -7.557 -12.799 1.00 0.00 H new ATOM 0 HG12 VAL A 39 18.198 -7.202 -14.542 1.00 0.00 H new ATOM 0 HG13 VAL A 39 18.494 -8.858 -13.961 1.00 0.00 H new ATOM 0 HG21 VAL A 39 20.228 -8.013 -11.552 1.00 0.00 H new ATOM 0 HG22 VAL A 39 20.664 -9.333 -12.663 1.00 0.00 H new ATOM 0 HG23 VAL A 39 21.799 -7.990 -12.387 1.00 0.00 H new ATOM 586 N GLN A 40 20.059 -9.788 -16.154 1.00 0.00 N ATOM 587 CA GLN A 40 19.955 -11.210 -16.456 1.00 0.00 C ATOM 588 C GLN A 40 21.303 -11.775 -16.890 1.00 0.00 C ATOM 589 O GLN A 40 21.482 -12.991 -16.967 1.00 0.00 O ATOM 590 CB GLN A 40 18.913 -11.446 -17.551 1.00 0.00 C ATOM 591 CG GLN A 40 18.306 -12.839 -17.525 1.00 0.00 C ATOM 592 CD GLN A 40 18.670 -13.657 -18.748 1.00 0.00 C ATOM 593 OE1 GLN A 40 18.394 -13.259 -19.880 1.00 0.00 O ATOM 594 NE2 GLN A 40 19.293 -14.809 -18.527 1.00 0.00 N ATOM 0 H GLN A 40 19.505 -9.185 -16.763 1.00 0.00 H new ATOM 0 HA GLN A 40 19.641 -11.726 -15.549 1.00 0.00 H new ATOM 0 HB2 GLN A 40 18.116 -10.710 -17.447 1.00 0.00 H new ATOM 0 HB3 GLN A 40 19.376 -11.279 -18.523 1.00 0.00 H new ATOM 0 HG2 GLN A 40 18.643 -13.361 -16.630 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.221 -12.757 -17.457 1.00 0.00 H new ATOM 0 HE21 GLN A 40 19.502 -15.101 -17.572 1.00 0.00 H new ATOM 0 HE22 GLN A 40 19.562 -15.402 -19.312 1.00 0.00 H new ATOM 603 N ARG A 41 22.249 -10.885 -17.172 1.00 0.00 N ATOM 604 CA ARG A 41 23.581 -11.295 -17.600 1.00 0.00 C ATOM 605 C ARG A 41 24.653 -10.673 -16.711 1.00 0.00 C ATOM 606 O ARG A 41 25.848 -10.817 -16.969 1.00 0.00 O ATOM 607 CB ARG A 41 23.817 -10.896 -19.058 1.00 0.00 C ATOM 608 CG ARG A 41 23.868 -9.392 -19.277 1.00 0.00 C ATOM 609 CD ARG A 41 25.106 -8.985 -20.059 1.00 0.00 C ATOM 610 NE ARG A 41 24.805 -7.984 -21.079 1.00 0.00 N ATOM 611 CZ ARG A 41 25.731 -7.250 -21.685 1.00 0.00 C ATOM 612 NH1 ARG A 41 27.011 -7.405 -21.376 1.00 0.00 N ATOM 613 NH2 ARG A 41 25.378 -6.360 -22.603 1.00 0.00 N ATOM 0 H ARG A 41 22.118 -9.875 -17.112 1.00 0.00 H new ATOM 0 HA ARG A 41 23.646 -12.380 -17.513 1.00 0.00 H new ATOM 0 HB2 ARG A 41 24.754 -11.336 -19.399 1.00 0.00 H new ATOM 0 HB3 ARG A 41 23.023 -11.318 -19.674 1.00 0.00 H new ATOM 0 HG2 ARG A 41 22.975 -9.071 -19.814 1.00 0.00 H new ATOM 0 HG3 ARG A 41 23.861 -8.882 -18.313 1.00 0.00 H new ATOM 0 HD2 ARG A 41 25.854 -8.589 -19.372 1.00 0.00 H new ATOM 0 HD3 ARG A 41 25.541 -9.865 -20.532 1.00 0.00 H new ATOM 0 HE ARG A 41 23.830 -7.841 -21.340 1.00 0.00 H new ATOM 0 HH11 ARG A 41 27.286 -8.089 -20.671 1.00 0.00 H new ATOM 0 HH12 ARG A 41 27.720 -6.840 -21.843 1.00 0.00 H new ATOM 0 HH21 ARG A 41 24.394 -6.239 -22.844 1.00 0.00 H new ATOM 0 HH22 ARG A 41 26.090 -5.797 -23.068 1.00 0.00 H new ATOM 627 N MET A 42 24.217 -9.980 -15.663 1.00 0.00 N ATOM 628 CA MET A 42 25.140 -9.336 -14.736 1.00 0.00 C ATOM 629 C MET A 42 24.764 -9.647 -13.291 1.00 0.00 C ATOM 630 O MET A 42 25.388 -9.148 -12.356 1.00 0.00 O ATOM 631 CB MET A 42 25.147 -7.822 -14.959 1.00 0.00 C ATOM 632 CG MET A 42 24.270 -7.060 -13.979 1.00 0.00 C ATOM 633 SD MET A 42 23.748 -5.456 -14.618 1.00 0.00 S ATOM 634 CE MET A 42 25.332 -4.652 -14.849 1.00 0.00 C ATOM 0 H MET A 42 23.231 -9.851 -15.435 1.00 0.00 H new ATOM 0 HA MET A 42 26.139 -9.728 -14.925 1.00 0.00 H new ATOM 0 HB2 MET A 42 26.171 -7.456 -14.879 1.00 0.00 H new ATOM 0 HB3 MET A 42 24.812 -7.611 -15.974 1.00 0.00 H new ATOM 0 HG2 MET A 42 23.389 -7.658 -13.745 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.815 -6.916 -13.046 1.00 0.00 H new ATOM 0 HE1 MET A 42 25.175 -3.600 -15.087 1.00 0.00 H new ATOM 0 HE2 MET A 42 25.918 -4.733 -13.934 1.00 0.00 H new ATOM 0 HE3 MET A 42 25.868 -5.133 -15.667 1.00 0.00 H new ATOM 644 N MET A 43 23.739 -10.475 -13.116 1.00 0.00 N ATOM 645 CA MET A 43 23.280 -10.852 -11.784 1.00 0.00 C ATOM 646 C MET A 43 24.378 -11.585 -11.019 1.00 0.00 C ATOM 647 O MET A 43 24.314 -11.715 -9.797 1.00 0.00 O ATOM 648 CB MET A 43 22.034 -11.735 -11.881 1.00 0.00 C ATOM 649 CG MET A 43 22.303 -13.101 -12.490 1.00 0.00 C ATOM 650 SD MET A 43 20.799 -13.913 -13.066 1.00 0.00 S ATOM 651 CE MET A 43 21.400 -15.576 -13.351 1.00 0.00 C ATOM 0 H MET A 43 23.211 -10.897 -13.880 1.00 0.00 H new ATOM 0 HA MET A 43 23.029 -9.940 -11.242 1.00 0.00 H new ATOM 0 HB2 MET A 43 21.614 -11.867 -10.884 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.281 -11.222 -12.479 1.00 0.00 H new ATOM 0 HG2 MET A 43 22.995 -12.992 -13.325 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.793 -13.734 -11.750 1.00 0.00 H new ATOM 0 HE1 MET A 43 20.583 -16.201 -13.712 1.00 0.00 H new ATOM 0 HE2 MET A 43 22.195 -15.553 -14.096 1.00 0.00 H new ATOM 0 HE3 MET A 43 21.788 -15.987 -12.419 1.00 0.00 H new ATOM 661 N ALA A 44 25.383 -12.062 -11.746 1.00 0.00 N ATOM 662 CA ALA A 44 26.494 -12.780 -11.135 1.00 0.00 C ATOM 663 C ALA A 44 27.724 -11.886 -11.013 1.00 0.00 C ATOM 664 O ALA A 44 28.847 -12.374 -10.894 1.00 0.00 O ATOM 665 CB ALA A 44 26.824 -14.027 -11.942 1.00 0.00 C ATOM 0 H ALA A 44 25.450 -11.964 -12.759 1.00 0.00 H new ATOM 0 HA ALA A 44 26.193 -13.079 -10.131 1.00 0.00 H new ATOM 0 HB1 ALA A 44 27.656 -14.554 -11.474 1.00 0.00 H new ATOM 0 HB2 ALA A 44 25.952 -14.681 -11.974 1.00 0.00 H new ATOM 0 HB3 ALA A 44 27.100 -13.741 -12.957 1.00 0.00 H new ATOM 671 N GLU A 45 27.503 -10.576 -11.043 1.00 0.00 N ATOM 672 CA GLU A 45 28.594 -9.615 -10.937 1.00 0.00 C ATOM 673 C GLU A 45 28.118 -8.320 -10.285 1.00 0.00 C ATOM 674 O GLU A 45 28.618 -7.237 -10.593 1.00 0.00 O ATOM 675 CB GLU A 45 29.178 -9.318 -12.320 1.00 0.00 C ATOM 676 CG GLU A 45 28.227 -8.563 -13.233 1.00 0.00 C ATOM 677 CD GLU A 45 28.884 -8.126 -14.528 1.00 0.00 C ATOM 678 OE1 GLU A 45 29.482 -7.030 -14.549 1.00 0.00 O ATOM 679 OE2 GLU A 45 28.800 -8.880 -15.520 1.00 0.00 O ATOM 0 H GLU A 45 26.579 -10.156 -11.140 1.00 0.00 H new ATOM 0 HA GLU A 45 29.370 -10.053 -10.309 1.00 0.00 H new ATOM 0 HB2 GLU A 45 30.093 -8.737 -12.202 1.00 0.00 H new ATOM 0 HB3 GLU A 45 29.457 -10.258 -12.797 1.00 0.00 H new ATOM 0 HG2 GLU A 45 27.369 -9.196 -13.461 1.00 0.00 H new ATOM 0 HG3 GLU A 45 27.846 -7.686 -12.709 1.00 0.00 H new ATOM 686 N ILE A 46 27.149 -8.440 -9.384 1.00 0.00 N ATOM 687 CA ILE A 46 26.605 -7.280 -8.688 1.00 0.00 C ATOM 688 C ILE A 46 26.767 -7.419 -7.179 1.00 0.00 C ATOM 689 O ILE A 46 27.656 -6.813 -6.581 1.00 0.00 O ATOM 690 CB ILE A 46 25.115 -7.074 -9.017 1.00 0.00 C ATOM 691 CG1 ILE A 46 24.451 -8.415 -9.337 1.00 0.00 C ATOM 692 CG2 ILE A 46 24.958 -6.107 -10.181 1.00 0.00 C ATOM 693 CD1 ILE A 46 23.016 -8.506 -8.866 1.00 0.00 C ATOM 0 H ILE A 46 26.724 -9.329 -9.119 1.00 0.00 H new ATOM 0 HA ILE A 46 27.168 -6.412 -9.033 1.00 0.00 H new ATOM 0 HB ILE A 46 24.621 -6.645 -8.145 1.00 0.00 H new ATOM 0 HG12 ILE A 46 24.483 -8.579 -10.414 1.00 0.00 H new ATOM 0 HG13 ILE A 46 25.028 -9.216 -8.875 1.00 0.00 H new ATOM 0 HG21 ILE A 46 23.899 -5.972 -10.401 1.00 0.00 H new ATOM 0 HG22 ILE A 46 25.399 -5.146 -9.918 1.00 0.00 H new ATOM 0 HG23 ILE A 46 25.463 -6.510 -11.059 1.00 0.00 H new ATOM 0 HD11 ILE A 46 22.609 -9.483 -9.126 1.00 0.00 H new ATOM 0 HD12 ILE A 46 22.979 -8.374 -7.785 1.00 0.00 H new ATOM 0 HD13 ILE A 46 22.425 -7.727 -9.347 1.00 0.00 H new ATOM 705 N ASP A 47 25.903 -8.222 -6.568 1.00 0.00 N ATOM 706 CA ASP A 47 25.951 -8.444 -5.127 1.00 0.00 C ATOM 707 C ASP A 47 25.700 -9.911 -4.795 1.00 0.00 C ATOM 708 O ASP A 47 26.137 -10.408 -3.756 1.00 0.00 O ATOM 709 CB ASP A 47 24.920 -7.563 -4.420 1.00 0.00 C ATOM 710 CG ASP A 47 25.499 -6.848 -3.215 1.00 0.00 C ATOM 711 OD1 ASP A 47 26.543 -7.301 -2.700 1.00 0.00 O ATOM 712 OD2 ASP A 47 24.909 -5.834 -2.787 1.00 0.00 O ATOM 0 H ASP A 47 25.160 -8.730 -7.048 1.00 0.00 H new ATOM 0 HA ASP A 47 26.947 -8.177 -4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 47 24.532 -6.827 -5.124 1.00 0.00 H new ATOM 0 HB3 ASP A 47 24.077 -8.177 -4.104 1.00 0.00 H new ATOM 717 N THR A 48 24.990 -10.601 -5.683 1.00 0.00 N ATOM 718 CA THR A 48 24.678 -12.010 -5.482 1.00 0.00 C ATOM 719 C THR A 48 25.894 -12.776 -4.974 1.00 0.00 C ATOM 720 O THR A 48 26.941 -12.798 -5.621 1.00 0.00 O ATOM 721 CB THR A 48 24.181 -12.666 -6.785 1.00 0.00 C ATOM 722 OG1 THR A 48 22.918 -12.107 -7.164 1.00 0.00 O ATOM 723 CG2 THR A 48 24.044 -14.172 -6.615 1.00 0.00 C ATOM 0 H THR A 48 24.621 -10.206 -6.548 1.00 0.00 H new ATOM 0 HA THR A 48 23.886 -12.055 -4.735 1.00 0.00 H new ATOM 0 HB THR A 48 24.914 -12.470 -7.567 1.00 0.00 H new ATOM 0 HG1 THR A 48 23.055 -11.434 -7.863 1.00 0.00 H new ATOM 0 HG21 THR A 48 23.692 -14.613 -7.548 1.00 0.00 H new ATOM 0 HG22 THR A 48 25.013 -14.598 -6.355 1.00 0.00 H new ATOM 0 HG23 THR A 48 23.329 -14.385 -5.820 1.00 0.00 H new ATOM 731 N ASP A 49 25.749 -13.402 -3.811 1.00 0.00 N ATOM 732 CA ASP A 49 26.836 -14.171 -3.216 1.00 0.00 C ATOM 733 C ASP A 49 26.401 -15.609 -2.947 1.00 0.00 C ATOM 734 O ASP A 49 27.221 -16.465 -2.618 1.00 0.00 O ATOM 735 CB ASP A 49 27.301 -13.514 -1.915 1.00 0.00 C ATOM 736 CG ASP A 49 28.669 -14.001 -1.478 1.00 0.00 C ATOM 737 OD1 ASP A 49 29.417 -14.517 -2.335 1.00 0.00 O ATOM 738 OD2 ASP A 49 28.992 -13.863 -0.280 1.00 0.00 O ATOM 0 H ASP A 49 24.890 -13.392 -3.262 1.00 0.00 H new ATOM 0 HA ASP A 49 27.666 -14.188 -3.923 1.00 0.00 H new ATOM 0 HB2 ASP A 49 27.329 -12.432 -2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 49 26.576 -13.721 -1.128 1.00 0.00 H new ATOM 743 N GLY A 50 25.104 -15.866 -3.089 1.00 0.00 N ATOM 744 CA GLY A 50 24.582 -17.200 -2.857 1.00 0.00 C ATOM 745 C GLY A 50 24.631 -18.066 -4.099 1.00 0.00 C ATOM 746 O GLY A 50 23.822 -18.980 -4.260 1.00 0.00 O ATOM 0 H GLY A 50 24.406 -15.174 -3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 50 25.155 -17.678 -2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.552 -17.128 -2.509 1.00 0.00 H new ATOM 750 N ASP A 51 25.582 -17.779 -4.982 1.00 0.00 N ATOM 751 CA ASP A 51 25.732 -18.538 -6.218 1.00 0.00 C ATOM 752 C ASP A 51 24.419 -18.581 -6.993 1.00 0.00 C ATOM 753 O ASP A 51 24.077 -19.596 -7.598 1.00 0.00 O ATOM 754 CB ASP A 51 26.206 -19.960 -5.913 1.00 0.00 C ATOM 755 CG ASP A 51 27.700 -20.033 -5.665 1.00 0.00 C ATOM 756 OD1 ASP A 51 28.435 -19.189 -6.221 1.00 0.00 O ATOM 757 OD2 ASP A 51 28.133 -20.932 -4.916 1.00 0.00 O ATOM 0 H ASP A 51 26.260 -17.026 -4.864 1.00 0.00 H new ATOM 0 HA ASP A 51 26.479 -18.038 -6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.677 -20.336 -5.037 1.00 0.00 H new ATOM 0 HB3 ASP A 51 25.947 -20.613 -6.747 1.00 0.00 H new ATOM 762 N GLY A 52 23.687 -17.471 -6.969 1.00 0.00 N ATOM 763 CA GLY A 52 22.420 -17.403 -7.672 1.00 0.00 C ATOM 764 C GLY A 52 21.265 -17.054 -6.754 1.00 0.00 C ATOM 765 O GLY A 52 20.111 -17.361 -7.052 1.00 0.00 O ATOM 0 H GLY A 52 23.949 -16.618 -6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 52 22.488 -16.658 -8.465 1.00 0.00 H new ATOM 0 HA3 GLY A 52 22.222 -18.362 -8.151 1.00 0.00 H new ATOM 769 N PHE A 53 21.576 -16.411 -5.633 1.00 0.00 N ATOM 770 CA PHE A 53 20.556 -16.022 -4.667 1.00 0.00 C ATOM 771 C PHE A 53 20.942 -14.725 -3.961 1.00 0.00 C ATOM 772 O PHE A 53 22.065 -14.240 -4.103 1.00 0.00 O ATOM 773 CB PHE A 53 20.348 -17.134 -3.637 1.00 0.00 C ATOM 774 CG PHE A 53 19.753 -18.385 -4.217 1.00 0.00 C ATOM 775 CD1 PHE A 53 20.559 -19.340 -4.815 1.00 0.00 C ATOM 776 CD2 PHE A 53 18.386 -18.605 -4.166 1.00 0.00 C ATOM 777 CE1 PHE A 53 20.014 -20.492 -5.349 1.00 0.00 C ATOM 778 CE2 PHE A 53 17.835 -19.756 -4.698 1.00 0.00 C ATOM 779 CZ PHE A 53 18.650 -20.700 -5.292 1.00 0.00 C ATOM 0 H PHE A 53 22.526 -16.149 -5.372 1.00 0.00 H new ATOM 0 HA PHE A 53 19.624 -15.858 -5.207 1.00 0.00 H new ATOM 0 HB2 PHE A 53 21.306 -17.376 -3.177 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.698 -16.766 -2.843 1.00 0.00 H new ATOM 0 HD1 PHE A 53 21.626 -19.182 -4.864 1.00 0.00 H new ATOM 0 HD2 PHE A 53 17.744 -17.869 -3.705 1.00 0.00 H new ATOM 0 HE1 PHE A 53 20.654 -21.229 -5.811 1.00 0.00 H new ATOM 0 HE2 PHE A 53 16.768 -19.917 -4.649 1.00 0.00 H new ATOM 0 HZ PHE A 53 18.221 -21.599 -5.711 1.00 0.00 H new ATOM 789 N ILE A 54 20.004 -14.170 -3.202 1.00 0.00 N ATOM 790 CA ILE A 54 20.245 -12.931 -2.474 1.00 0.00 C ATOM 791 C ILE A 54 19.325 -12.817 -1.263 1.00 0.00 C ATOM 792 O ILE A 54 18.101 -12.805 -1.399 1.00 0.00 O ATOM 793 CB ILE A 54 20.043 -11.699 -3.376 1.00 0.00 C ATOM 794 CG1 ILE A 54 18.808 -11.885 -4.260 1.00 0.00 C ATOM 795 CG2 ILE A 54 21.280 -11.458 -4.228 1.00 0.00 C ATOM 796 CD1 ILE A 54 18.552 -10.721 -5.192 1.00 0.00 C ATOM 0 H ILE A 54 19.070 -14.559 -3.075 1.00 0.00 H new ATOM 0 HA ILE A 54 21.282 -12.959 -2.138 1.00 0.00 H new ATOM 0 HB ILE A 54 19.886 -10.825 -2.744 1.00 0.00 H new ATOM 0 HG12 ILE A 54 18.927 -12.793 -4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 54 17.935 -12.030 -3.624 1.00 0.00 H new ATOM 0 HG21 ILE A 54 21.122 -10.584 -4.860 1.00 0.00 H new ATOM 0 HG22 ILE A 54 22.140 -11.287 -3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.466 -12.330 -4.855 1.00 0.00 H new ATOM 0 HD11 ILE A 54 17.662 -10.921 -5.788 1.00 0.00 H new ATOM 0 HD12 ILE A 54 18.401 -9.813 -4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 54 19.409 -10.589 -5.853 1.00 0.00 H new ATOM 808 N ASP A 55 19.922 -12.731 -0.079 1.00 0.00 N ATOM 809 CA ASP A 55 19.157 -12.614 1.157 1.00 0.00 C ATOM 810 C ASP A 55 18.238 -11.397 1.114 1.00 0.00 C ATOM 811 O ASP A 55 17.018 -11.530 1.018 1.00 0.00 O ATOM 812 CB ASP A 55 20.099 -12.516 2.358 1.00 0.00 C ATOM 813 CG ASP A 55 20.731 -13.848 2.708 1.00 0.00 C ATOM 814 OD1 ASP A 55 20.082 -14.646 3.416 1.00 0.00 O ATOM 815 OD2 ASP A 55 21.876 -14.093 2.273 1.00 0.00 O ATOM 0 H ASP A 55 20.934 -12.740 0.051 1.00 0.00 H new ATOM 0 HA ASP A 55 18.542 -13.508 1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 55 20.883 -11.790 2.143 1.00 0.00 H new ATOM 0 HB3 ASP A 55 19.547 -12.142 3.220 1.00 0.00 H new ATOM 820 N PHE A 56 18.832 -10.211 1.187 1.00 0.00 N ATOM 821 CA PHE A 56 18.068 -8.969 1.159 1.00 0.00 C ATOM 822 C PHE A 56 18.968 -7.783 0.830 1.00 0.00 C ATOM 823 O PHE A 56 18.684 -7.008 -0.083 1.00 0.00 O ATOM 824 CB PHE A 56 17.376 -8.741 2.504 1.00 0.00 C ATOM 825 CG PHE A 56 16.504 -7.518 2.530 1.00 0.00 C ATOM 826 CD1 PHE A 56 15.650 -7.237 1.476 1.00 0.00 C ATOM 827 CD2 PHE A 56 16.538 -6.650 3.609 1.00 0.00 C ATOM 828 CE1 PHE A 56 14.848 -6.112 1.497 1.00 0.00 C ATOM 829 CE2 PHE A 56 15.738 -5.523 3.636 1.00 0.00 C ATOM 830 CZ PHE A 56 14.891 -5.255 2.579 1.00 0.00 C ATOM 0 H PHE A 56 19.841 -10.083 1.266 1.00 0.00 H new ATOM 0 HA PHE A 56 17.312 -9.055 0.379 1.00 0.00 H new ATOM 0 HB2 PHE A 56 16.770 -9.615 2.744 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.133 -8.654 3.283 1.00 0.00 H new ATOM 0 HD1 PHE A 56 15.611 -7.905 0.628 1.00 0.00 H new ATOM 0 HD2 PHE A 56 17.197 -6.856 4.439 1.00 0.00 H new ATOM 0 HE1 PHE A 56 14.188 -5.903 0.668 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.775 -4.853 4.482 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.263 -4.377 2.598 1.00 0.00 H new ATOM 840 N ASN A 57 20.056 -7.647 1.581 1.00 0.00 N ATOM 841 CA ASN A 57 20.999 -6.554 1.371 1.00 0.00 C ATOM 842 C ASN A 57 21.510 -6.546 -0.067 1.00 0.00 C ATOM 843 O ASN A 57 21.902 -5.503 -0.590 1.00 0.00 O ATOM 844 CB ASN A 57 22.176 -6.675 2.341 1.00 0.00 C ATOM 845 CG ASN A 57 22.431 -5.388 3.102 1.00 0.00 C ATOM 846 OD1 ASN A 57 23.516 -4.811 3.021 1.00 0.00 O ATOM 847 ND2 ASN A 57 21.431 -4.933 3.847 1.00 0.00 N ATOM 0 H ASN A 57 20.307 -8.280 2.341 1.00 0.00 H new ATOM 0 HA ASN A 57 20.477 -5.616 1.558 1.00 0.00 H new ATOM 0 HB2 ASN A 57 21.979 -7.480 3.049 1.00 0.00 H new ATOM 0 HB3 ASN A 57 23.073 -6.951 1.787 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.544 -4.072 4.382 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.549 -5.444 3.884 1.00 0.00 H new ATOM 854 N GLU A 58 21.501 -7.715 -0.699 1.00 0.00 N ATOM 855 CA GLU A 58 21.964 -7.841 -2.077 1.00 0.00 C ATOM 856 C GLU A 58 20.824 -7.586 -3.059 1.00 0.00 C ATOM 857 O GLU A 58 21.045 -7.107 -4.172 1.00 0.00 O ATOM 858 CB GLU A 58 22.554 -9.233 -2.314 1.00 0.00 C ATOM 859 CG GLU A 58 23.902 -9.445 -1.645 1.00 0.00 C ATOM 860 CD GLU A 58 24.226 -10.911 -1.439 1.00 0.00 C ATOM 861 OE1 GLU A 58 23.301 -11.744 -1.535 1.00 0.00 O ATOM 862 OE2 GLU A 58 25.407 -11.226 -1.180 1.00 0.00 O ATOM 0 H GLU A 58 21.179 -8.587 -0.280 1.00 0.00 H new ATOM 0 HA GLU A 58 22.738 -7.092 -2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 58 21.853 -9.983 -1.946 1.00 0.00 H new ATOM 0 HB3 GLU A 58 22.661 -9.395 -3.387 1.00 0.00 H new ATOM 0 HG2 GLU A 58 24.682 -8.986 -2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 58 23.909 -8.936 -0.681 1.00 0.00 H new ATOM 869 N PHE A 59 19.606 -7.909 -2.639 1.00 0.00 N ATOM 870 CA PHE A 59 18.431 -7.717 -3.482 1.00 0.00 C ATOM 871 C PHE A 59 18.067 -6.238 -3.577 1.00 0.00 C ATOM 872 O PHE A 59 17.449 -5.802 -4.549 1.00 0.00 O ATOM 873 CB PHE A 59 17.245 -8.511 -2.930 1.00 0.00 C ATOM 874 CG PHE A 59 15.914 -8.017 -3.418 1.00 0.00 C ATOM 875 CD1 PHE A 59 15.430 -8.403 -4.658 1.00 0.00 C ATOM 876 CD2 PHE A 59 15.145 -7.169 -2.638 1.00 0.00 C ATOM 877 CE1 PHE A 59 14.205 -7.950 -5.111 1.00 0.00 C ATOM 878 CE2 PHE A 59 13.919 -6.712 -3.085 1.00 0.00 C ATOM 879 CZ PHE A 59 13.448 -7.105 -4.323 1.00 0.00 C ATOM 0 H PHE A 59 19.406 -8.305 -1.720 1.00 0.00 H new ATOM 0 HA PHE A 59 18.668 -8.081 -4.482 1.00 0.00 H new ATOM 0 HB2 PHE A 59 17.359 -9.559 -3.208 1.00 0.00 H new ATOM 0 HB3 PHE A 59 17.263 -8.466 -1.841 1.00 0.00 H new ATOM 0 HD1 PHE A 59 16.017 -9.065 -5.277 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.508 -6.861 -1.668 1.00 0.00 H new ATOM 0 HE1 PHE A 59 13.840 -8.257 -6.080 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.331 -6.049 -2.468 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.490 -6.752 -4.674 1.00 0.00 H new ATOM 889 N ILE A 60 18.453 -5.473 -2.562 1.00 0.00 N ATOM 890 CA ILE A 60 18.168 -4.044 -2.532 1.00 0.00 C ATOM 891 C ILE A 60 19.271 -3.248 -3.222 1.00 0.00 C ATOM 892 O ILE A 60 19.020 -2.188 -3.795 1.00 0.00 O ATOM 893 CB ILE A 60 18.009 -3.532 -1.088 1.00 0.00 C ATOM 894 CG1 ILE A 60 16.825 -4.221 -0.407 1.00 0.00 C ATOM 895 CG2 ILE A 60 17.828 -2.021 -1.078 1.00 0.00 C ATOM 896 CD1 ILE A 60 15.484 -3.828 -0.986 1.00 0.00 C ATOM 0 H ILE A 60 18.964 -5.819 -1.750 1.00 0.00 H new ATOM 0 HA ILE A 60 17.229 -3.899 -3.067 1.00 0.00 H new ATOM 0 HB ILE A 60 18.914 -3.773 -0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 60 16.946 -5.301 -0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 60 16.837 -3.981 0.656 1.00 0.00 H new ATOM 0 HG21 ILE A 60 17.717 -1.675 -0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 60 18.700 -1.547 -1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 60 16.937 -1.758 -1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.690 -4.354 -0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 60 15.342 -2.753 -0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.452 -4.094 -2.043 1.00 0.00 H new ATOM 908 N SER A 61 20.493 -3.769 -3.166 1.00 0.00 N ATOM 909 CA SER A 61 21.635 -3.106 -3.784 1.00 0.00 C ATOM 910 C SER A 61 21.339 -2.760 -5.240 1.00 0.00 C ATOM 911 O SER A 61 21.445 -1.603 -5.649 1.00 0.00 O ATOM 912 CB SER A 61 22.875 -3.999 -3.703 1.00 0.00 C ATOM 913 OG SER A 61 23.820 -3.477 -2.784 1.00 0.00 O ATOM 0 H SER A 61 20.717 -4.648 -2.699 1.00 0.00 H new ATOM 0 HA SER A 61 21.825 -2.181 -3.240 1.00 0.00 H new ATOM 0 HB2 SER A 61 22.584 -5.004 -3.399 1.00 0.00 H new ATOM 0 HB3 SER A 61 23.331 -4.084 -4.689 1.00 0.00 H new ATOM 0 HG SER A 61 24.337 -4.212 -2.393 1.00 0.00 H new ATOM 919 N PHE A 62 20.968 -3.771 -6.019 1.00 0.00 N ATOM 920 CA PHE A 62 20.657 -3.575 -7.430 1.00 0.00 C ATOM 921 C PHE A 62 19.261 -2.985 -7.603 1.00 0.00 C ATOM 922 O PHE A 62 18.936 -2.426 -8.651 1.00 0.00 O ATOM 923 CB PHE A 62 20.760 -4.901 -8.186 1.00 0.00 C ATOM 924 CG PHE A 62 19.490 -5.293 -8.886 1.00 0.00 C ATOM 925 CD1 PHE A 62 18.457 -5.898 -8.188 1.00 0.00 C ATOM 926 CD2 PHE A 62 19.329 -5.056 -10.241 1.00 0.00 C ATOM 927 CE1 PHE A 62 17.287 -6.259 -8.829 1.00 0.00 C ATOM 928 CE2 PHE A 62 18.161 -5.414 -10.887 1.00 0.00 C ATOM 929 CZ PHE A 62 17.139 -6.017 -10.181 1.00 0.00 C ATOM 0 H PHE A 62 20.875 -4.734 -5.697 1.00 0.00 H new ATOM 0 HA PHE A 62 21.382 -2.873 -7.842 1.00 0.00 H new ATOM 0 HB2 PHE A 62 21.563 -4.830 -8.920 1.00 0.00 H new ATOM 0 HB3 PHE A 62 21.037 -5.689 -7.485 1.00 0.00 H new ATOM 0 HD1 PHE A 62 18.567 -6.090 -7.131 1.00 0.00 H new ATOM 0 HD2 PHE A 62 20.125 -4.586 -10.799 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.489 -6.730 -8.274 1.00 0.00 H new ATOM 0 HE2 PHE A 62 18.048 -5.222 -11.944 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.226 -6.299 -10.685 1.00 0.00 H new ATOM 939 N CYS A 63 18.438 -3.115 -6.568 1.00 0.00 N ATOM 940 CA CYS A 63 17.075 -2.596 -6.604 1.00 0.00 C ATOM 941 C CYS A 63 17.004 -1.209 -5.975 1.00 0.00 C ATOM 942 O CYS A 63 16.656 -1.065 -4.804 1.00 0.00 O ATOM 943 CB CYS A 63 16.126 -3.549 -5.876 1.00 0.00 C ATOM 944 SG CYS A 63 14.439 -2.921 -5.705 1.00 0.00 S ATOM 0 H CYS A 63 18.691 -3.575 -5.694 1.00 0.00 H new ATOM 0 HA CYS A 63 16.770 -2.517 -7.647 1.00 0.00 H new ATOM 0 HB2 CYS A 63 16.097 -4.497 -6.413 1.00 0.00 H new ATOM 0 HB3 CYS A 63 16.527 -3.757 -4.884 1.00 0.00 H new ATOM 0 HG CYS A 63 13.604 -3.917 -5.692 1.00 0.00 H new ATOM 950 N ASN A 64 17.339 -0.191 -6.761 1.00 0.00 N ATOM 951 CA ASN A 64 17.316 1.186 -6.280 1.00 0.00 C ATOM 952 C ASN A 64 16.050 1.902 -6.742 1.00 0.00 C ATOM 953 O ASN A 64 15.724 2.984 -6.254 1.00 0.00 O ATOM 954 CB ASN A 64 18.551 1.942 -6.773 1.00 0.00 C ATOM 955 CG ASN A 64 19.839 1.195 -6.483 1.00 0.00 C ATOM 956 OD1 ASN A 64 19.997 0.598 -5.418 1.00 0.00 O ATOM 957 ND2 ASN A 64 20.767 1.226 -7.433 1.00 0.00 N ATOM 0 H ASN A 64 17.630 -0.293 -7.733 1.00 0.00 H new ATOM 0 HA ASN A 64 17.323 1.164 -5.190 1.00 0.00 H new ATOM 0 HB2 ASN A 64 18.466 2.111 -7.846 1.00 0.00 H new ATOM 0 HB3 ASN A 64 18.588 2.922 -6.298 1.00 0.00 H new ATOM 0 HD21 ASN A 64 21.654 0.742 -7.295 1.00 0.00 H new ATOM 0 HD22 ASN A 64 20.592 1.734 -8.300 1.00 0.00 H new ATOM 964 N ALA A 65 15.341 1.290 -7.685 1.00 0.00 N ATOM 965 CA ALA A 65 14.111 1.867 -8.211 1.00 0.00 C ATOM 966 C ALA A 65 14.283 3.354 -8.504 1.00 0.00 C ATOM 967 O ALA A 65 13.424 4.166 -8.164 1.00 0.00 O ATOM 968 CB ALA A 65 12.965 1.649 -7.233 1.00 0.00 C ATOM 0 H ALA A 65 15.598 0.394 -8.100 1.00 0.00 H new ATOM 0 HA ALA A 65 13.875 1.364 -9.149 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.052 2.085 -7.639 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.818 0.580 -7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.203 2.125 -6.282 1.00 0.00 H new ATOM 974 N ASN A 66 15.398 3.702 -9.137 1.00 0.00 N ATOM 975 CA ASN A 66 15.683 5.092 -9.475 1.00 0.00 C ATOM 976 C ASN A 66 14.946 5.505 -10.745 1.00 0.00 C ATOM 977 O ASN A 66 14.049 6.348 -10.725 1.00 0.00 O ATOM 978 CB ASN A 66 17.189 5.296 -9.657 1.00 0.00 C ATOM 979 CG ASN A 66 17.820 6.018 -8.482 1.00 0.00 C ATOM 980 OD1 ASN A 66 18.546 6.998 -8.659 1.00 0.00 O ATOM 981 ND2 ASN A 66 17.547 5.537 -7.275 1.00 0.00 N ATOM 0 H ASN A 66 16.119 3.041 -9.426 1.00 0.00 H new ATOM 0 HA ASN A 66 15.335 5.718 -8.654 1.00 0.00 H new ATOM 0 HB2 ASN A 66 17.671 4.327 -9.786 1.00 0.00 H new ATOM 0 HB3 ASN A 66 17.368 5.866 -10.569 1.00 0.00 H new ATOM 0 HD21 ASN A 66 17.944 5.981 -6.447 1.00 0.00 H new ATOM 0 HD22 ASN A 66 16.940 4.723 -7.176 1.00 0.00 H new ATOM 988 N PRO A 67 15.331 4.898 -11.877 1.00 0.00 N ATOM 989 CA PRO A 67 14.719 5.186 -13.178 1.00 0.00 C ATOM 990 C PRO A 67 13.288 4.669 -13.272 1.00 0.00 C ATOM 991 O PRO A 67 12.565 4.983 -14.216 1.00 0.00 O ATOM 992 CB PRO A 67 15.622 4.444 -14.167 1.00 0.00 C ATOM 993 CG PRO A 67 16.233 3.344 -13.369 1.00 0.00 C ATOM 994 CD PRO A 67 16.394 3.883 -11.975 1.00 0.00 C ATOM 0 HA PRO A 67 14.647 6.257 -13.367 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.050 4.052 -15.008 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.384 5.105 -14.580 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.597 2.459 -13.374 1.00 0.00 H new ATOM 0 HG3 PRO A 67 17.195 3.047 -13.786 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.273 3.101 -11.225 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.381 4.319 -11.824 1.00 0.00 H new ATOM 1002 N GLY A 68 12.884 3.874 -12.285 1.00 0.00 N ATOM 1003 CA GLY A 68 11.540 3.326 -12.276 1.00 0.00 C ATOM 1004 C GLY A 68 11.491 1.901 -12.789 1.00 0.00 C ATOM 1005 O GLY A 68 10.552 1.516 -13.486 1.00 0.00 O ATOM 0 H GLY A 68 13.464 3.600 -11.492 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.145 3.357 -11.260 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.892 3.952 -12.889 1.00 0.00 H new ATOM 1009 N LEU A 69 12.506 1.115 -12.446 1.00 0.00 N ATOM 1010 CA LEU A 69 12.577 -0.276 -12.878 1.00 0.00 C ATOM 1011 C LEU A 69 12.019 -1.208 -11.807 1.00 0.00 C ATOM 1012 O LEU A 69 11.510 -2.286 -12.112 1.00 0.00 O ATOM 1013 CB LEU A 69 14.022 -0.658 -13.201 1.00 0.00 C ATOM 1014 CG LEU A 69 14.972 -0.761 -12.006 1.00 0.00 C ATOM 1015 CD1 LEU A 69 15.654 -2.120 -11.982 1.00 0.00 C ATOM 1016 CD2 LEU A 69 16.004 0.356 -12.048 1.00 0.00 C ATOM 0 H LEU A 69 13.291 1.418 -11.870 1.00 0.00 H new ATOM 0 HA LEU A 69 11.971 -0.382 -13.778 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.016 -1.617 -13.719 1.00 0.00 H new ATOM 0 HB3 LEU A 69 14.424 0.078 -13.897 1.00 0.00 H new ATOM 0 HG LEU A 69 14.388 -0.655 -11.092 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.326 -2.175 -11.125 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.901 -2.904 -11.903 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.225 -2.257 -12.900 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.671 0.267 -11.191 1.00 0.00 H new ATOM 0 HD22 LEU A 69 16.584 0.282 -12.968 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.498 1.321 -12.015 1.00 0.00 H new ATOM 1028 N MET A 70 12.118 -0.783 -10.552 1.00 0.00 N ATOM 1029 CA MET A 70 11.620 -1.579 -9.435 1.00 0.00 C ATOM 1030 C MET A 70 10.432 -0.894 -8.767 1.00 0.00 C ATOM 1031 O MET A 70 9.635 -1.537 -8.084 1.00 0.00 O ATOM 1032 CB MET A 70 12.732 -1.810 -8.410 1.00 0.00 C ATOM 1033 CG MET A 70 13.941 -2.536 -8.979 1.00 0.00 C ATOM 1034 SD MET A 70 13.753 -4.329 -8.947 1.00 0.00 S ATOM 1035 CE MET A 70 14.135 -4.740 -10.648 1.00 0.00 C ATOM 0 H MET A 70 12.538 0.107 -10.283 1.00 0.00 H new ATOM 0 HA MET A 70 11.290 -2.542 -9.826 1.00 0.00 H new ATOM 0 HB2 MET A 70 13.051 -0.848 -8.009 1.00 0.00 H new ATOM 0 HB3 MET A 70 12.332 -2.386 -7.575 1.00 0.00 H new ATOM 0 HG2 MET A 70 14.105 -2.210 -10.006 1.00 0.00 H new ATOM 0 HG3 MET A 70 14.828 -2.257 -8.410 1.00 0.00 H new ATOM 0 HE1 MET A 70 14.096 -5.821 -10.779 1.00 0.00 H new ATOM 0 HE2 MET A 70 13.407 -4.268 -11.308 1.00 0.00 H new ATOM 0 HE3 MET A 70 15.134 -4.381 -10.894 1.00 0.00 H new ATOM 1045 N LYS A 71 10.319 0.415 -8.968 1.00 0.00 N ATOM 1046 CA LYS A 71 9.228 1.187 -8.386 1.00 0.00 C ATOM 1047 C LYS A 71 7.970 1.083 -9.243 1.00 0.00 C ATOM 1048 O LYS A 71 6.852 1.134 -8.730 1.00 0.00 O ATOM 1049 CB LYS A 71 9.636 2.655 -8.239 1.00 0.00 C ATOM 1050 CG LYS A 71 8.495 3.565 -7.822 1.00 0.00 C ATOM 1051 CD LYS A 71 9.007 4.839 -7.171 1.00 0.00 C ATOM 1052 CE LYS A 71 7.864 5.768 -6.790 1.00 0.00 C ATOM 1053 NZ LYS A 71 7.262 6.425 -7.983 1.00 0.00 N ATOM 0 H LYS A 71 10.970 0.963 -9.530 1.00 0.00 H new ATOM 0 HA LYS A 71 9.011 0.775 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.436 2.729 -7.502 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.042 3.007 -9.187 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.893 3.818 -8.695 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.843 3.037 -7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.585 4.588 -6.282 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.682 5.353 -7.855 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.097 5.202 -6.261 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.229 6.530 -6.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.533 7.100 -7.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.002 6.930 -8.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.830 5.704 -8.596 1.00 0.00 H new ATOM 1067 N ASP A 72 8.160 0.935 -10.550 1.00 0.00 N ATOM 1068 CA ASP A 72 7.041 0.820 -11.477 1.00 0.00 C ATOM 1069 C ASP A 72 6.847 -0.627 -11.920 1.00 0.00 C ATOM 1070 O ASP A 72 6.397 -0.891 -13.034 1.00 0.00 O ATOM 1071 CB ASP A 72 7.268 1.714 -12.697 1.00 0.00 C ATOM 1072 CG ASP A 72 5.969 2.197 -13.311 1.00 0.00 C ATOM 1073 OD1 ASP A 72 5.083 2.643 -12.552 1.00 0.00 O ATOM 1074 OD2 ASP A 72 5.838 2.130 -14.551 1.00 0.00 O ATOM 0 H ASP A 72 9.079 0.892 -10.991 1.00 0.00 H new ATOM 0 HA ASP A 72 6.139 1.146 -10.960 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.871 2.574 -12.406 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.838 1.164 -13.446 1.00 0.00 H new ATOM 1079 N VAL A 73 7.193 -1.561 -11.039 1.00 0.00 N ATOM 1080 CA VAL A 73 7.057 -2.981 -11.338 1.00 0.00 C ATOM 1081 C VAL A 73 6.223 -3.690 -10.277 1.00 0.00 C ATOM 1082 O VAL A 73 5.563 -4.689 -10.557 1.00 0.00 O ATOM 1083 CB VAL A 73 8.433 -3.667 -11.437 1.00 0.00 C ATOM 1084 CG1 VAL A 73 8.769 -4.378 -10.135 1.00 0.00 C ATOM 1085 CG2 VAL A 73 8.460 -4.639 -12.607 1.00 0.00 C ATOM 0 H VAL A 73 7.569 -1.359 -10.113 1.00 0.00 H new ATOM 0 HA VAL A 73 6.552 -3.055 -12.301 1.00 0.00 H new ATOM 0 HB VAL A 73 9.190 -2.902 -11.612 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.744 -4.857 -10.223 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.793 -3.654 -9.321 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.011 -5.133 -9.927 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.439 -5.115 -12.662 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.694 -5.401 -12.465 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.266 -4.099 -13.534 1.00 0.00 H new ATOM 1095 N ALA A 74 6.257 -3.164 -9.057 1.00 0.00 N ATOM 1096 CA ALA A 74 5.502 -3.744 -7.954 1.00 0.00 C ATOM 1097 C ALA A 74 4.064 -3.239 -7.947 1.00 0.00 C ATOM 1098 O ALA A 74 3.252 -3.655 -7.120 1.00 0.00 O ATOM 1099 CB ALA A 74 6.180 -3.431 -6.628 1.00 0.00 C ATOM 0 H ALA A 74 6.800 -2.337 -8.808 1.00 0.00 H new ATOM 0 HA ALA A 74 5.479 -4.825 -8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.605 -3.870 -5.813 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.187 -3.847 -6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.234 -2.351 -6.493 1.00 0.00 H new ATOM 1105 N LYS A 75 3.754 -2.338 -8.874 1.00 0.00 N ATOM 1106 CA LYS A 75 2.413 -1.775 -8.976 1.00 0.00 C ATOM 1107 C LYS A 75 1.726 -2.235 -10.258 1.00 0.00 C ATOM 1108 O LYS A 75 0.498 -2.237 -10.350 1.00 0.00 O ATOM 1109 CB LYS A 75 2.474 -0.247 -8.938 1.00 0.00 C ATOM 1110 CG LYS A 75 3.448 0.297 -7.906 1.00 0.00 C ATOM 1111 CD LYS A 75 3.052 -0.110 -6.497 1.00 0.00 C ATOM 1112 CE LYS A 75 2.845 1.104 -5.604 1.00 0.00 C ATOM 1113 NZ LYS A 75 4.081 1.926 -5.490 1.00 0.00 N ATOM 0 H LYS A 75 4.414 -1.982 -9.566 1.00 0.00 H new ATOM 0 HA LYS A 75 1.832 -2.130 -8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.758 0.122 -9.924 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.478 0.143 -8.727 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.452 -0.069 -8.123 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.483 1.384 -7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.135 -0.699 -6.531 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.825 -0.749 -6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.037 1.716 -6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.534 0.776 -4.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.987 2.586 -4.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.898 1.303 -5.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.223 2.464 -6.369 1.00 0.00 H new ATOM 1127 N VAL A 76 2.526 -2.626 -11.245 1.00 0.00 N ATOM 1128 CA VAL A 76 1.994 -3.090 -12.521 1.00 0.00 C ATOM 1129 C VAL A 76 1.178 -4.366 -12.345 1.00 0.00 C ATOM 1130 O VAL A 76 0.118 -4.526 -12.951 1.00 0.00 O ATOM 1131 CB VAL A 76 3.122 -3.352 -13.537 1.00 0.00 C ATOM 1132 CG1 VAL A 76 2.560 -3.946 -14.819 1.00 0.00 C ATOM 1133 CG2 VAL A 76 3.888 -2.069 -13.825 1.00 0.00 C ATOM 0 H VAL A 76 3.544 -2.631 -11.186 1.00 0.00 H new ATOM 0 HA VAL A 76 1.348 -2.298 -12.901 1.00 0.00 H new ATOM 0 HB VAL A 76 3.816 -4.073 -13.105 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.372 -4.124 -15.524 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.061 -4.889 -14.595 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.844 -3.252 -15.258 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.681 -2.272 -14.545 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.207 -1.323 -14.236 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.325 -1.691 -12.901 1.00 0.00 H new ATOM 1143 N PHE A 77 1.678 -5.271 -11.510 1.00 0.00 N ATOM 1144 CA PHE A 77 0.996 -6.534 -11.254 1.00 0.00 C ATOM 1145 C PHE A 77 -0.305 -6.304 -10.489 1.00 0.00 C ATOM 1146 O PHE A 77 -1.389 -6.612 -10.982 1.00 0.00 O ATOM 1147 CB PHE A 77 1.904 -7.479 -10.465 1.00 0.00 C ATOM 1148 CG PHE A 77 1.540 -8.928 -10.617 1.00 0.00 C ATOM 1149 CD1 PHE A 77 1.962 -9.650 -11.721 1.00 0.00 C ATOM 1150 CD2 PHE A 77 0.774 -9.567 -9.656 1.00 0.00 C ATOM 1151 CE1 PHE A 77 1.629 -10.984 -11.864 1.00 0.00 C ATOM 1152 CE2 PHE A 77 0.437 -10.901 -9.793 1.00 0.00 C ATOM 1153 CZ PHE A 77 0.864 -11.610 -10.899 1.00 0.00 C ATOM 0 H PHE A 77 2.553 -5.153 -10.999 1.00 0.00 H new ATOM 0 HA PHE A 77 0.757 -6.990 -12.215 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.934 -7.336 -10.791 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.863 -7.211 -9.409 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.559 -9.165 -12.479 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.436 -9.017 -8.790 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.966 -11.536 -12.729 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.160 -11.388 -9.036 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.600 -12.652 -11.009 1.00 0.00 H new