USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 577 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 40 THR OG1 : rot 180:sc=-0.00271 USER MOD Set 1.2: A 45 MET CE :methyl 168:sc= -0.037 (180deg=-0.173) USER MOD Set 2.1: A 17 THR OG1 : rot 180:sc= -0.142 USER MOD Set 2.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -138:sc= 0.0266 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -5:sc= 1.14 USER MOD Single : A 22 HIS : no HD1:sc= -11! C(o=-11!,f=-16!) USER MOD Single : A 23 LYS NZ :NH3+ 163:sc= -0.0224 (180deg=-0.326) USER MOD Single : A 24 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00119) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.849 K(o=-0.85,f=-0.077) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 157:sc= -0.03 (180deg=-0.329) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -7.537 5.766 1.136 1.00 0.00 N ATOM 14 CA ILE A 2 -6.380 4.828 1.101 1.00 0.00 C ATOM 15 C ILE A 2 -5.467 5.188 -0.072 1.00 0.00 C ATOM 16 O ILE A 2 -5.608 4.671 -1.163 1.00 0.00 O ATOM 17 CB ILE A 2 -6.889 3.396 0.930 1.00 0.00 C ATOM 18 CG1 ILE A 2 -7.569 2.940 2.223 1.00 0.00 C ATOM 19 CG2 ILE A 2 -5.713 2.469 0.619 1.00 0.00 C ATOM 20 CD1 ILE A 2 -9.084 3.105 2.089 1.00 0.00 C ATOM 0 HA ILE A 2 -5.821 4.906 2.034 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.605 3.361 0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.323 1.898 2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.202 3.526 3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.076 1.449 0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.227 2.794 -0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.996 2.503 1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -9.568 2.780 3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -9.321 4.153 1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -9.444 2.500 1.257 1.00 0.00 H new ATOM 32 N ASP A 3 -4.532 6.073 0.141 1.00 0.00 N ATOM 33 CA ASP A 3 -3.611 6.465 -0.963 1.00 0.00 C ATOM 34 C ASP A 3 -2.486 5.434 -1.080 1.00 0.00 C ATOM 35 O ASP A 3 -2.143 4.765 -0.126 1.00 0.00 O ATOM 36 CB ASP A 3 -3.012 7.841 -0.662 1.00 0.00 C ATOM 37 CG ASP A 3 -1.967 8.186 -1.725 1.00 0.00 C ATOM 38 OD1 ASP A 3 -2.324 8.216 -2.891 1.00 0.00 O ATOM 39 OD2 ASP A 3 -0.827 8.413 -1.355 1.00 0.00 O ATOM 0 H ASP A 3 -4.366 6.541 1.032 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.165 6.506 -1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.797 8.597 -0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.554 7.842 0.327 1.00 0.00 H new ATOM 44 N ILE A 4 -1.910 5.301 -2.243 1.00 0.00 N ATOM 45 CA ILE A 4 -0.809 4.312 -2.420 1.00 0.00 C ATOM 46 C ILE A 4 0.376 4.988 -3.113 1.00 0.00 C ATOM 47 O ILE A 4 0.252 5.518 -4.200 1.00 0.00 O ATOM 48 CB ILE A 4 -1.303 3.146 -3.278 1.00 0.00 C ATOM 49 CG1 ILE A 4 -2.613 2.608 -2.698 1.00 0.00 C ATOM 50 CG2 ILE A 4 -0.253 2.033 -3.280 1.00 0.00 C ATOM 51 CD1 ILE A 4 -3.440 1.968 -3.814 1.00 0.00 C ATOM 0 H ILE A 4 -2.154 5.834 -3.078 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.496 3.938 -1.445 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.470 3.490 -4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.404 1.875 -1.919 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.176 3.417 -2.232 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.605 1.202 -3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.682 2.415 -3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.087 1.688 -2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.373 1.585 -3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.660 2.714 -4.577 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.877 1.148 -4.260 1.00 0.00 H new ATOM 63 N LYS A 5 1.525 4.974 -2.494 1.00 0.00 N ATOM 64 CA LYS A 5 2.717 5.615 -3.118 1.00 0.00 C ATOM 65 C LYS A 5 3.970 4.809 -2.770 1.00 0.00 C ATOM 66 O LYS A 5 3.962 3.985 -1.878 1.00 0.00 O ATOM 67 CB LYS A 5 2.864 7.043 -2.587 1.00 0.00 C ATOM 68 CG LYS A 5 3.133 7.002 -1.080 1.00 0.00 C ATOM 69 CD LYS A 5 1.842 7.320 -0.323 1.00 0.00 C ATOM 70 CE LYS A 5 2.172 8.136 0.928 1.00 0.00 C ATOM 71 NZ LYS A 5 0.957 8.880 1.369 1.00 0.00 N ATOM 0 H LYS A 5 1.690 4.546 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 5 2.591 5.641 -4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.681 7.551 -3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.957 7.613 -2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.503 6.018 -0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.908 7.723 -0.818 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.160 7.878 -0.964 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.334 6.397 -0.044 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.518 7.477 1.725 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.983 8.834 0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.224 9.845 1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.274 8.924 0.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.525 8.390 2.178 1.00 0.00 H new ATOM 85 N ALA A 6 5.048 5.042 -3.468 1.00 0.00 N ATOM 86 CA ALA A 6 6.300 4.288 -3.176 1.00 0.00 C ATOM 87 C ALA A 6 6.830 4.692 -1.798 1.00 0.00 C ATOM 88 O ALA A 6 6.657 5.819 -1.375 1.00 0.00 O ATOM 89 CB ALA A 6 7.349 4.613 -4.241 1.00 0.00 C ATOM 0 H ALA A 6 5.116 5.721 -4.226 1.00 0.00 H new ATOM 0 HA ALA A 6 6.091 3.218 -3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.265 4.062 -4.029 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.972 4.326 -5.223 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.558 5.683 -4.231 1.00 0.00 H new ATOM 95 N PRO A 7 7.461 3.755 -1.137 1.00 0.00 N ATOM 96 CA PRO A 7 8.034 3.976 0.203 1.00 0.00 C ATOM 97 C PRO A 7 9.356 4.741 0.099 1.00 0.00 C ATOM 98 O PRO A 7 9.736 5.204 -0.959 1.00 0.00 O ATOM 99 CB PRO A 7 8.262 2.558 0.733 1.00 0.00 C ATOM 100 CG PRO A 7 8.349 1.637 -0.508 1.00 0.00 C ATOM 101 CD PRO A 7 7.663 2.390 -1.664 1.00 0.00 C ATOM 0 HA PRO A 7 7.391 4.570 0.853 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.179 2.506 1.321 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.446 2.252 1.387 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.387 1.414 -0.753 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.855 0.684 -0.319 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.284 2.397 -2.559 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.716 1.924 -1.937 1.00 0.00 H new ATOM 109 N THR A 8 10.061 4.876 1.189 1.00 0.00 N ATOM 110 CA THR A 8 11.358 5.610 1.152 1.00 0.00 C ATOM 111 C THR A 8 12.508 4.607 1.042 1.00 0.00 C ATOM 112 O THR A 8 12.961 4.057 2.027 1.00 0.00 O ATOM 113 CB THR A 8 11.517 6.430 2.434 1.00 0.00 C ATOM 114 OG1 THR A 8 10.241 6.627 3.030 1.00 0.00 O ATOM 115 CG2 THR A 8 12.142 7.785 2.101 1.00 0.00 C ATOM 0 H THR A 8 9.795 4.510 2.103 1.00 0.00 H new ATOM 0 HA THR A 8 11.374 6.277 0.290 1.00 0.00 H new ATOM 0 HB THR A 8 12.164 5.896 3.130 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.341 7.151 3.852 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.255 8.368 3.015 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.120 7.632 1.645 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.497 8.322 1.405 1.00 0.00 H new ATOM 123 N PHE A 9 12.985 4.364 -0.149 1.00 0.00 N ATOM 124 CA PHE A 9 14.105 3.397 -0.320 1.00 0.00 C ATOM 125 C PHE A 9 15.321 3.877 0.478 1.00 0.00 C ATOM 126 O PHE A 9 15.517 5.064 0.652 1.00 0.00 O ATOM 127 CB PHE A 9 14.473 3.301 -1.802 1.00 0.00 C ATOM 128 CG PHE A 9 13.234 2.995 -2.609 1.00 0.00 C ATOM 129 CD1 PHE A 9 12.383 1.952 -2.217 1.00 0.00 C ATOM 130 CD2 PHE A 9 12.935 3.752 -3.749 1.00 0.00 C ATOM 131 CE1 PHE A 9 11.234 1.667 -2.966 1.00 0.00 C ATOM 132 CE2 PHE A 9 11.785 3.468 -4.497 1.00 0.00 C ATOM 133 CZ PHE A 9 10.934 2.425 -4.106 1.00 0.00 C ATOM 0 H PHE A 9 12.647 4.794 -1.010 1.00 0.00 H new ATOM 0 HA PHE A 9 13.797 2.416 0.043 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.917 4.238 -2.139 1.00 0.00 H new ATOM 0 HB3 PHE A 9 15.220 2.522 -1.953 1.00 0.00 H new ATOM 0 HD1 PHE A 9 12.613 1.368 -1.338 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.591 4.555 -4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.579 0.863 -2.665 1.00 0.00 H new ATOM 0 HE2 PHE A 9 11.554 4.053 -5.375 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.048 2.206 -4.683 1.00 0.00 H new ATOM 143 N PRO A 10 16.101 2.934 0.941 1.00 0.00 N ATOM 144 CA PRO A 10 17.312 3.221 1.728 1.00 0.00 C ATOM 145 C PRO A 10 18.456 3.663 0.810 1.00 0.00 C ATOM 146 O PRO A 10 18.250 3.980 -0.345 1.00 0.00 O ATOM 147 CB PRO A 10 17.634 1.879 2.393 1.00 0.00 C ATOM 148 CG PRO A 10 16.956 0.790 1.528 1.00 0.00 C ATOM 149 CD PRO A 10 15.848 1.495 0.721 1.00 0.00 C ATOM 0 HA PRO A 10 17.173 4.027 2.449 1.00 0.00 H new ATOM 0 HB2 PRO A 10 18.711 1.719 2.445 1.00 0.00 H new ATOM 0 HB3 PRO A 10 17.258 1.852 3.416 1.00 0.00 H new ATOM 0 HG2 PRO A 10 17.679 0.318 0.863 1.00 0.00 H new ATOM 0 HG3 PRO A 10 16.537 0.002 2.155 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.901 1.238 -0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.856 1.207 1.070 1.00 0.00 H new ATOM 157 N GLU A 11 19.659 3.688 1.314 1.00 0.00 N ATOM 158 CA GLU A 11 20.812 4.109 0.470 1.00 0.00 C ATOM 159 C GLU A 11 21.134 3.007 -0.540 1.00 0.00 C ATOM 160 O GLU A 11 21.399 3.271 -1.697 1.00 0.00 O ATOM 161 CB GLU A 11 22.032 4.358 1.360 1.00 0.00 C ATOM 162 CG GLU A 11 23.231 4.739 0.489 1.00 0.00 C ATOM 163 CD GLU A 11 24.502 4.118 1.071 1.00 0.00 C ATOM 164 OE1 GLU A 11 24.881 4.507 2.163 1.00 0.00 O ATOM 165 OE2 GLU A 11 25.076 3.265 0.414 1.00 0.00 O ATOM 0 H GLU A 11 19.893 3.435 2.274 1.00 0.00 H new ATOM 0 HA GLU A 11 20.557 5.026 -0.062 1.00 0.00 H new ATOM 0 HB2 GLU A 11 21.819 5.155 2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.260 3.464 1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 11 23.078 4.390 -0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.331 5.823 0.444 1.00 0.00 H new ATOM 172 N SER A 12 21.116 1.774 -0.113 1.00 0.00 N ATOM 173 CA SER A 12 21.422 0.654 -1.044 1.00 0.00 C ATOM 174 C SER A 12 20.720 0.894 -2.382 1.00 0.00 C ATOM 175 O SER A 12 21.354 1.074 -3.403 1.00 0.00 O ATOM 176 CB SER A 12 20.930 -0.661 -0.440 1.00 0.00 C ATOM 177 OG SER A 12 20.708 -1.603 -1.482 1.00 0.00 O ATOM 0 H SER A 12 20.902 1.494 0.844 1.00 0.00 H new ATOM 0 HA SER A 12 22.499 0.600 -1.204 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.665 -1.048 0.265 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.009 -0.496 0.119 1.00 0.00 H new ATOM 0 HG SER A 12 20.393 -2.448 -1.098 1.00 0.00 H new ATOM 183 N ILE A 13 19.415 0.896 -2.387 1.00 0.00 N ATOM 184 CA ILE A 13 18.675 1.124 -3.660 1.00 0.00 C ATOM 185 C ILE A 13 18.100 2.542 -3.668 1.00 0.00 C ATOM 186 O ILE A 13 17.712 3.070 -2.645 1.00 0.00 O ATOM 187 CB ILE A 13 17.535 0.111 -3.775 1.00 0.00 C ATOM 188 CG1 ILE A 13 18.065 -1.290 -3.459 1.00 0.00 C ATOM 189 CG2 ILE A 13 16.974 0.132 -5.198 1.00 0.00 C ATOM 190 CD1 ILE A 13 19.347 -1.543 -4.256 1.00 0.00 C ATOM 0 H ILE A 13 18.830 0.750 -1.565 1.00 0.00 H new ATOM 0 HA ILE A 13 19.355 1.003 -4.503 1.00 0.00 H new ATOM 0 HB ILE A 13 16.746 0.371 -3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 13 18.264 -1.383 -2.391 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.314 -2.039 -3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 13 16.162 -0.590 -5.280 1.00 0.00 H new ATOM 0 HG22 ILE A 13 16.597 1.129 -5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 13 17.763 -0.128 -5.904 1.00 0.00 H new ATOM 0 HD11 ILE A 13 19.724 -2.541 -4.031 1.00 0.00 H new ATOM 0 HD12 ILE A 13 19.133 -1.468 -5.322 1.00 0.00 H new ATOM 0 HD13 ILE A 13 20.097 -0.801 -3.983 1.00 0.00 H new ATOM 202 N ALA A 14 18.041 3.162 -4.816 1.00 0.00 N ATOM 203 CA ALA A 14 17.491 4.544 -4.888 1.00 0.00 C ATOM 204 C ALA A 14 16.196 4.536 -5.702 1.00 0.00 C ATOM 205 O ALA A 14 15.774 5.547 -6.227 1.00 0.00 O ATOM 206 CB ALA A 14 18.510 5.464 -5.561 1.00 0.00 C ATOM 0 H ALA A 14 18.350 2.771 -5.706 1.00 0.00 H new ATOM 0 HA ALA A 14 17.285 4.905 -3.881 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.108 6.476 -5.614 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.433 5.470 -4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.717 5.103 -6.568 1.00 0.00 H new ATOM 212 N ASP A 15 15.559 3.402 -5.812 1.00 0.00 N ATOM 213 CA ASP A 15 14.292 3.330 -6.592 1.00 0.00 C ATOM 214 C ASP A 15 13.523 2.065 -6.205 1.00 0.00 C ATOM 215 O ASP A 15 13.895 1.357 -5.290 1.00 0.00 O ATOM 216 CB ASP A 15 14.614 3.293 -8.087 1.00 0.00 C ATOM 217 CG ASP A 15 15.925 2.536 -8.311 1.00 0.00 C ATOM 218 OD1 ASP A 15 16.971 3.126 -8.095 1.00 0.00 O ATOM 219 OD2 ASP A 15 15.860 1.379 -8.693 1.00 0.00 O ATOM 0 H ASP A 15 15.862 2.522 -5.395 1.00 0.00 H new ATOM 0 HA ASP A 15 13.682 4.206 -6.373 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.804 2.808 -8.632 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.697 4.308 -8.477 1.00 0.00 H new ATOM 224 N GLY A 16 12.454 1.776 -6.895 1.00 0.00 N ATOM 225 CA GLY A 16 11.662 0.557 -6.567 1.00 0.00 C ATOM 226 C GLY A 16 10.982 0.034 -7.833 1.00 0.00 C ATOM 227 O GLY A 16 11.171 0.558 -8.913 1.00 0.00 O ATOM 0 H GLY A 16 12.095 2.331 -7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.313 -0.210 -6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.914 0.790 -5.809 1.00 0.00 H new ATOM 231 N THR A 17 10.189 -0.995 -7.711 1.00 0.00 N ATOM 232 CA THR A 17 9.497 -1.549 -8.909 1.00 0.00 C ATOM 233 C THR A 17 8.163 -2.166 -8.488 1.00 0.00 C ATOM 234 O THR A 17 8.113 -3.057 -7.663 1.00 0.00 O ATOM 235 CB THR A 17 10.375 -2.623 -9.554 1.00 0.00 C ATOM 236 OG1 THR A 17 11.679 -2.102 -9.765 1.00 0.00 O ATOM 237 CG2 THR A 17 9.769 -3.046 -10.893 1.00 0.00 C ATOM 0 H THR A 17 9.990 -1.476 -6.834 1.00 0.00 H new ATOM 0 HA THR A 17 9.316 -0.748 -9.626 1.00 0.00 H new ATOM 0 HB THR A 17 10.432 -3.489 -8.895 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.243 -2.789 -10.177 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.396 -3.811 -11.351 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.769 -3.447 -10.729 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.710 -2.182 -11.555 1.00 0.00 H new ATOM 245 N VAL A 18 7.080 -1.701 -9.049 1.00 0.00 N ATOM 246 CA VAL A 18 5.750 -2.265 -8.680 1.00 0.00 C ATOM 247 C VAL A 18 5.833 -3.792 -8.667 1.00 0.00 C ATOM 248 O VAL A 18 6.798 -4.375 -9.119 1.00 0.00 O ATOM 249 CB VAL A 18 4.705 -1.818 -9.704 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.321 -2.302 -9.266 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.704 -0.291 -9.796 1.00 0.00 C ATOM 0 H VAL A 18 7.058 -0.956 -9.746 1.00 0.00 H new ATOM 0 HA VAL A 18 5.463 -1.908 -7.691 1.00 0.00 H new ATOM 0 HB VAL A 18 4.947 -2.242 -10.679 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.576 -1.983 -9.996 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.321 -3.390 -9.198 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.079 -1.878 -8.292 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.960 0.029 -10.525 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.462 0.132 -8.821 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.690 0.055 -10.107 1.00 0.00 H new ATOM 261 N ALA A 19 4.830 -4.448 -8.149 1.00 0.00 N ATOM 262 CA ALA A 19 4.857 -5.936 -8.108 1.00 0.00 C ATOM 263 C ALA A 19 3.806 -6.495 -9.070 1.00 0.00 C ATOM 264 O ALA A 19 4.126 -6.996 -10.129 1.00 0.00 O ATOM 265 CB ALA A 19 4.551 -6.412 -6.686 1.00 0.00 C ATOM 0 H ALA A 19 3.994 -4.017 -7.753 1.00 0.00 H new ATOM 0 HA ALA A 19 5.844 -6.289 -8.406 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.570 -7.501 -6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.300 -6.016 -6.001 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.564 -6.058 -6.388 1.00 0.00 H new ATOM 271 N THR A 20 2.554 -6.416 -8.709 1.00 0.00 N ATOM 272 CA THR A 20 1.487 -6.947 -9.604 1.00 0.00 C ATOM 273 C THR A 20 0.143 -6.318 -9.230 1.00 0.00 C ATOM 274 O THR A 20 -0.265 -6.340 -8.086 1.00 0.00 O ATOM 275 CB THR A 20 1.402 -8.466 -9.444 1.00 0.00 C ATOM 276 OG1 THR A 20 2.537 -9.069 -10.050 1.00 0.00 O ATOM 277 CG2 THR A 20 0.129 -8.983 -10.116 1.00 0.00 C ATOM 0 H THR A 20 2.224 -6.007 -7.834 1.00 0.00 H new ATOM 0 HA THR A 20 1.725 -6.701 -10.639 1.00 0.00 H new ATOM 0 HB THR A 20 1.378 -8.718 -8.384 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.073 -8.381 -10.497 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.071 -10.065 -10.001 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.742 -8.521 -9.650 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.150 -8.732 -11.176 1.00 0.00 H new ATOM 285 N TRP A 21 -0.549 -5.760 -10.185 1.00 0.00 N ATOM 286 CA TRP A 21 -1.860 -5.135 -9.891 1.00 0.00 C ATOM 287 C TRP A 21 -2.968 -6.178 -10.046 1.00 0.00 C ATOM 288 O TRP A 21 -3.603 -6.274 -11.077 1.00 0.00 O ATOM 289 CB TRP A 21 -2.089 -3.993 -10.877 1.00 0.00 C ATOM 290 CG TRP A 21 -1.559 -2.722 -10.302 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.381 -2.142 -10.637 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.165 -1.862 -9.297 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.231 -0.982 -9.897 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.301 -0.769 -9.062 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.369 -1.925 -8.574 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.615 0.226 -8.144 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.693 -0.920 -7.644 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.816 0.154 -7.430 1.00 0.00 C ATOM 0 H TRP A 21 -0.257 -5.712 -11.161 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.871 -4.752 -8.871 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.593 -4.211 -11.823 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.153 -3.891 -11.091 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.324 -2.522 -11.361 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.575 -0.361 -9.963 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.049 -2.749 -8.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.936 1.050 -7.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.620 -0.976 -7.093 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.068 0.924 -6.715 1.00 0.00 H new ATOM 309 N HIS A 22 -3.200 -6.965 -9.030 1.00 0.00 N ATOM 310 CA HIS A 22 -4.271 -8.012 -9.125 1.00 0.00 C ATOM 311 C HIS A 22 -5.509 -7.414 -9.796 1.00 0.00 C ATOM 312 O HIS A 22 -5.844 -7.752 -10.915 1.00 0.00 O ATOM 313 CB HIS A 22 -4.656 -8.522 -7.728 1.00 0.00 C ATOM 314 CG HIS A 22 -3.462 -8.457 -6.824 1.00 0.00 C ATOM 315 ND1 HIS A 22 -3.098 -7.286 -6.185 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.513 -9.386 -6.482 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.969 -7.531 -5.508 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.566 -8.798 -5.649 1.00 0.00 N ATOM 0 H HIS A 22 -2.700 -6.933 -8.141 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.889 -8.846 -9.714 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.467 -7.919 -7.320 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.022 -9.547 -7.792 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.502 -10.415 -6.809 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.446 -6.793 -4.918 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.744 -9.238 -5.236 1.00 0.00 H new ATOM 326 N LYS A 23 -6.194 -6.532 -9.122 1.00 0.00 N ATOM 327 CA LYS A 23 -7.411 -5.916 -9.721 1.00 0.00 C ATOM 328 C LYS A 23 -7.038 -4.602 -10.408 1.00 0.00 C ATOM 329 O LYS A 23 -5.900 -4.176 -10.383 1.00 0.00 O ATOM 330 CB LYS A 23 -8.438 -5.643 -8.619 1.00 0.00 C ATOM 331 CG LYS A 23 -9.236 -6.917 -8.337 1.00 0.00 C ATOM 332 CD LYS A 23 -8.611 -7.660 -7.154 1.00 0.00 C ATOM 333 CE LYS A 23 -9.575 -8.742 -6.665 1.00 0.00 C ATOM 334 NZ LYS A 23 -9.881 -9.678 -7.784 1.00 0.00 N ATOM 0 H LYS A 23 -5.963 -6.211 -8.182 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.837 -6.598 -10.456 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.934 -5.309 -7.712 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.110 -4.841 -8.924 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.274 -6.667 -8.116 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.243 -7.557 -9.219 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.664 -8.110 -7.452 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.392 -6.961 -6.347 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.133 -9.287 -5.831 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.494 -8.286 -6.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.288 -10.555 -7.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.562 -9.234 -8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.006 -9.899 -8.301 1.00 0.00 H new ATOM 348 N LYS A 24 -7.991 -3.954 -11.021 1.00 0.00 N ATOM 349 CA LYS A 24 -7.697 -2.666 -11.711 1.00 0.00 C ATOM 350 C LYS A 24 -8.569 -1.557 -11.114 1.00 0.00 C ATOM 351 O LYS A 24 -9.480 -1.828 -10.356 1.00 0.00 O ATOM 352 CB LYS A 24 -8.004 -2.807 -13.204 1.00 0.00 C ATOM 353 CG LYS A 24 -6.693 -2.884 -13.990 1.00 0.00 C ATOM 354 CD LYS A 24 -6.850 -2.143 -15.319 1.00 0.00 C ATOM 355 CE LYS A 24 -5.514 -2.140 -16.063 1.00 0.00 C ATOM 356 NZ LYS A 24 -5.299 -3.467 -16.705 1.00 0.00 N ATOM 0 H LYS A 24 -8.962 -4.262 -11.074 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.645 -2.413 -11.578 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.599 -3.703 -13.381 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.596 -1.958 -13.546 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.882 -2.444 -13.410 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.426 -3.925 -14.171 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.616 -2.624 -15.927 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.181 -1.120 -15.140 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.508 -1.354 -16.818 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.701 -1.923 -15.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.398 -3.459 -17.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.270 -4.206 -15.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.078 -3.664 -17.365 1.00 0.00 H new ATOM 370 N PRO A 25 -8.261 -0.340 -11.478 1.00 0.00 N ATOM 371 CA PRO A 25 -8.999 0.843 -11.002 1.00 0.00 C ATOM 372 C PRO A 25 -10.341 0.965 -11.729 1.00 0.00 C ATOM 373 O PRO A 25 -10.395 1.090 -12.935 1.00 0.00 O ATOM 374 CB PRO A 25 -8.074 2.011 -11.357 1.00 0.00 C ATOM 375 CG PRO A 25 -7.155 1.506 -12.494 1.00 0.00 C ATOM 376 CD PRO A 25 -7.151 -0.031 -12.403 1.00 0.00 C ATOM 0 HA PRO A 25 -9.235 0.802 -9.939 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.650 2.879 -11.679 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.488 2.320 -10.491 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.523 1.836 -13.466 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.146 1.904 -12.383 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.307 -0.489 -13.380 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.200 -0.405 -12.024 1.00 0.00 H new ATOM 384 N GLY A 26 -11.425 0.928 -11.001 1.00 0.00 N ATOM 385 CA GLY A 26 -12.761 1.041 -11.650 1.00 0.00 C ATOM 386 C GLY A 26 -13.605 -0.187 -11.300 1.00 0.00 C ATOM 387 O GLY A 26 -14.660 -0.407 -11.860 1.00 0.00 O ATOM 0 H GLY A 26 -11.442 0.825 -9.986 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.264 1.948 -11.315 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.646 1.120 -12.731 1.00 0.00 H new ATOM 391 N GLU A 27 -13.147 -0.989 -10.379 1.00 0.00 N ATOM 392 CA GLU A 27 -13.922 -2.201 -9.994 1.00 0.00 C ATOM 393 C GLU A 27 -14.440 -2.043 -8.563 1.00 0.00 C ATOM 394 O GLU A 27 -14.116 -1.095 -7.876 1.00 0.00 O ATOM 395 CB GLU A 27 -13.017 -3.433 -10.075 1.00 0.00 C ATOM 396 CG GLU A 27 -11.848 -3.273 -9.101 1.00 0.00 C ATOM 397 CD GLU A 27 -12.132 -4.071 -7.827 1.00 0.00 C ATOM 398 OE1 GLU A 27 -12.502 -5.228 -7.946 1.00 0.00 O ATOM 399 OE2 GLU A 27 -11.974 -3.512 -6.754 1.00 0.00 O ATOM 0 H GLU A 27 -12.269 -0.857 -9.876 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.765 -2.323 -10.674 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.585 -4.331 -9.833 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.643 -3.556 -11.091 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.925 -3.623 -9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.704 -2.220 -8.859 1.00 0.00 H new ATOM 406 N ALA A 28 -15.245 -2.965 -8.108 1.00 0.00 N ATOM 407 CA ALA A 28 -15.783 -2.867 -6.722 1.00 0.00 C ATOM 408 C ALA A 28 -14.750 -3.412 -5.733 1.00 0.00 C ATOM 409 O ALA A 28 -14.041 -4.356 -6.021 1.00 0.00 O ATOM 410 CB ALA A 28 -17.072 -3.684 -6.616 1.00 0.00 C ATOM 0 H ALA A 28 -15.553 -3.781 -8.636 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.994 -1.824 -6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.466 -3.612 -5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.808 -3.295 -7.319 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.862 -4.727 -6.851 1.00 0.00 H new ATOM 416 N VAL A 29 -14.659 -2.826 -4.571 1.00 0.00 N ATOM 417 CA VAL A 29 -13.673 -3.312 -3.567 1.00 0.00 C ATOM 418 C VAL A 29 -14.416 -3.928 -2.379 1.00 0.00 C ATOM 419 O VAL A 29 -15.564 -3.621 -2.126 1.00 0.00 O ATOM 420 CB VAL A 29 -12.819 -2.140 -3.082 1.00 0.00 C ATOM 421 CG1 VAL A 29 -11.604 -2.673 -2.320 1.00 0.00 C ATOM 422 CG2 VAL A 29 -12.346 -1.322 -4.286 1.00 0.00 C ATOM 0 H VAL A 29 -15.225 -2.031 -4.274 1.00 0.00 H new ATOM 0 HA VAL A 29 -13.031 -4.065 -4.024 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.413 -1.508 -2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.996 -1.837 -1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.939 -3.256 -1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.010 -3.306 -2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.737 -0.486 -3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.753 -1.955 -4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.211 -0.941 -4.829 1.00 0.00 H new ATOM 432 N LYS A 30 -13.769 -4.794 -1.647 1.00 0.00 N ATOM 433 CA LYS A 30 -14.438 -5.427 -0.477 1.00 0.00 C ATOM 434 C LYS A 30 -13.426 -5.600 0.658 1.00 0.00 C ATOM 435 O LYS A 30 -12.306 -6.016 0.444 1.00 0.00 O ATOM 436 CB LYS A 30 -14.987 -6.797 -0.883 1.00 0.00 C ATOM 437 CG LYS A 30 -16.506 -6.711 -1.043 1.00 0.00 C ATOM 438 CD LYS A 30 -17.179 -7.654 -0.042 1.00 0.00 C ATOM 439 CE LYS A 30 -17.027 -9.099 -0.518 1.00 0.00 C ATOM 440 NZ LYS A 30 -18.319 -9.818 -0.344 1.00 0.00 N ATOM 0 H LYS A 30 -12.806 -5.090 -1.809 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.257 -4.792 -0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.530 -7.121 -1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.732 -7.541 -0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.842 -5.688 -0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.791 -6.980 -2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.729 -7.536 0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -18.235 -7.402 0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.726 -9.118 -1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.241 -9.599 0.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.216 -10.801 -0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.588 -9.811 0.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -19.057 -9.345 -0.903 1.00 0.00 H new ATOM 454 N ARG A 31 -13.813 -5.280 1.864 1.00 0.00 N ATOM 455 CA ARG A 31 -12.877 -5.421 3.012 1.00 0.00 C ATOM 456 C ARG A 31 -12.117 -6.745 2.897 1.00 0.00 C ATOM 457 O ARG A 31 -12.669 -7.756 2.510 1.00 0.00 O ATOM 458 CB ARG A 31 -13.670 -5.401 4.320 1.00 0.00 C ATOM 459 CG ARG A 31 -12.724 -5.663 5.495 1.00 0.00 C ATOM 460 CD ARG A 31 -13.286 -6.791 6.362 1.00 0.00 C ATOM 461 NE ARG A 31 -13.765 -6.231 7.658 1.00 0.00 N ATOM 462 CZ ARG A 31 -14.525 -6.948 8.438 1.00 0.00 C ATOM 463 NH1 ARG A 31 -15.441 -7.724 7.924 1.00 0.00 N ATOM 464 NH2 ARG A 31 -14.370 -6.891 9.732 1.00 0.00 N ATOM 0 H ARG A 31 -14.740 -4.926 2.102 1.00 0.00 H new ATOM 0 HA ARG A 31 -12.166 -4.595 3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.163 -4.437 4.444 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.453 -6.158 4.294 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -11.735 -5.933 5.126 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -12.606 -4.757 6.090 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -14.106 -7.289 5.844 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.518 -7.544 6.541 1.00 0.00 H new ATOM 0 HE ARG A 31 -13.498 -5.286 7.935 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -15.562 -7.769 6.912 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -16.035 -8.285 8.534 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.654 -6.285 10.134 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -14.965 -7.452 10.342 1.00 0.00 H new ATOM 478 N ASP A 32 -10.855 -6.747 3.231 1.00 0.00 N ATOM 479 CA ASP A 32 -10.064 -8.006 3.139 1.00 0.00 C ATOM 480 C ASP A 32 -9.860 -8.375 1.669 1.00 0.00 C ATOM 481 O ASP A 32 -10.100 -9.495 1.261 1.00 0.00 O ATOM 482 CB ASP A 32 -10.815 -9.134 3.849 1.00 0.00 C ATOM 483 CG ASP A 32 -9.861 -10.302 4.105 1.00 0.00 C ATOM 484 OD1 ASP A 32 -8.927 -10.122 4.869 1.00 0.00 O ATOM 485 OD2 ASP A 32 -10.080 -11.356 3.532 1.00 0.00 O ATOM 0 H ASP A 32 -10.339 -5.932 3.563 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.094 -7.860 3.614 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.227 -8.774 4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.656 -9.465 3.240 1.00 0.00 H new ATOM 490 N GLU A 33 -9.420 -7.443 0.869 1.00 0.00 N ATOM 491 CA GLU A 33 -9.203 -7.743 -0.575 1.00 0.00 C ATOM 492 C GLU A 33 -7.899 -7.091 -1.040 1.00 0.00 C ATOM 493 O GLU A 33 -7.817 -5.890 -1.201 1.00 0.00 O ATOM 494 CB GLU A 33 -10.370 -7.185 -1.393 1.00 0.00 C ATOM 495 CG GLU A 33 -10.125 -7.451 -2.879 1.00 0.00 C ATOM 496 CD GLU A 33 -10.473 -6.198 -3.686 1.00 0.00 C ATOM 497 OE1 GLU A 33 -11.643 -5.859 -3.741 1.00 0.00 O ATOM 498 OE2 GLU A 33 -9.561 -5.599 -4.233 1.00 0.00 O ATOM 0 H GLU A 33 -9.202 -6.488 1.152 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.142 -8.822 -0.717 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.304 -7.651 -1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.473 -6.114 -1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.083 -7.725 -3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.732 -8.292 -3.214 1.00 0.00 H new ATOM 505 N LEU A 34 -6.878 -7.876 -1.258 1.00 0.00 N ATOM 506 CA LEU A 34 -5.580 -7.305 -1.711 1.00 0.00 C ATOM 507 C LEU A 34 -5.835 -6.255 -2.794 1.00 0.00 C ATOM 508 O LEU A 34 -6.911 -6.175 -3.353 1.00 0.00 O ATOM 509 CB LEU A 34 -4.706 -8.424 -2.278 1.00 0.00 C ATOM 510 CG LEU A 34 -3.330 -7.865 -2.642 1.00 0.00 C ATOM 511 CD1 LEU A 34 -2.699 -7.216 -1.410 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.433 -9.005 -3.133 1.00 0.00 C ATOM 0 H LEU A 34 -6.889 -8.889 -1.141 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.072 -6.838 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.602 -9.225 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.179 -8.857 -3.159 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.437 -7.119 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.718 -6.818 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.338 -6.406 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.590 -7.961 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.451 -8.609 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.327 -9.750 -2.344 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.882 -9.469 -4.012 1.00 0.00 H new ATOM 524 N ILE A 35 -4.856 -5.446 -3.095 1.00 0.00 N ATOM 525 CA ILE A 35 -5.048 -4.402 -4.141 1.00 0.00 C ATOM 526 C ILE A 35 -3.844 -4.391 -5.083 1.00 0.00 C ATOM 527 O ILE A 35 -3.988 -4.372 -6.289 1.00 0.00 O ATOM 528 CB ILE A 35 -5.187 -3.032 -3.475 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.473 -2.997 -2.646 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.244 -1.945 -4.550 1.00 0.00 C ATOM 531 CD1 ILE A 35 -6.535 -1.689 -1.855 1.00 0.00 C ATOM 0 H ILE A 35 -3.933 -5.463 -2.662 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.951 -4.623 -4.711 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.330 -2.855 -2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.342 -3.081 -3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.503 -3.848 -1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.343 -0.969 -4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.329 -1.970 -5.141 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.101 -2.121 -5.200 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.451 -1.664 -1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.673 -1.624 -1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.525 -0.846 -2.545 1.00 0.00 H new ATOM 543 N VAL A 36 -2.655 -4.401 -4.545 1.00 0.00 N ATOM 544 CA VAL A 36 -1.445 -4.389 -5.417 1.00 0.00 C ATOM 545 C VAL A 36 -0.196 -4.605 -4.561 1.00 0.00 C ATOM 546 O VAL A 36 -0.110 -4.140 -3.441 1.00 0.00 O ATOM 547 CB VAL A 36 -1.346 -3.041 -6.132 1.00 0.00 C ATOM 548 CG1 VAL A 36 -1.496 -1.910 -5.114 1.00 0.00 C ATOM 549 CG2 VAL A 36 0.017 -2.930 -6.820 1.00 0.00 C ATOM 0 H VAL A 36 -2.469 -4.417 -3.542 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.521 -5.188 -6.155 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.138 -2.965 -6.877 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.425 -0.949 -5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.466 -1.989 -4.622 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.704 -1.984 -4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.090 -1.970 -7.330 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.808 -3.005 -6.074 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.125 -3.736 -7.546 1.00 0.00 H new ATOM 559 N ASP A 37 0.775 -5.308 -5.079 1.00 0.00 N ATOM 560 CA ASP A 37 2.019 -5.552 -4.296 1.00 0.00 C ATOM 561 C ASP A 37 3.111 -4.586 -4.760 1.00 0.00 C ATOM 562 O ASP A 37 2.988 -3.942 -5.783 1.00 0.00 O ATOM 563 CB ASP A 37 2.484 -6.994 -4.517 1.00 0.00 C ATOM 564 CG ASP A 37 1.846 -7.904 -3.466 1.00 0.00 C ATOM 565 OD1 ASP A 37 2.394 -7.998 -2.381 1.00 0.00 O ATOM 566 OD2 ASP A 37 0.819 -8.492 -3.765 1.00 0.00 O ATOM 0 H ASP A 37 0.760 -5.724 -6.010 1.00 0.00 H new ATOM 0 HA ASP A 37 1.820 -5.392 -3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.208 -7.327 -5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.571 -7.051 -4.451 1.00 0.00 H new ATOM 571 N ILE A 38 4.178 -4.479 -4.017 1.00 0.00 N ATOM 572 CA ILE A 38 5.275 -3.552 -4.418 1.00 0.00 C ATOM 573 C ILE A 38 6.628 -4.182 -4.077 1.00 0.00 C ATOM 574 O ILE A 38 6.728 -5.030 -3.213 1.00 0.00 O ATOM 575 CB ILE A 38 5.125 -2.228 -3.666 1.00 0.00 C ATOM 576 CG1 ILE A 38 6.061 -1.185 -4.282 1.00 0.00 C ATOM 577 CG2 ILE A 38 5.487 -2.432 -2.195 1.00 0.00 C ATOM 578 CD1 ILE A 38 5.274 0.088 -4.593 1.00 0.00 C ATOM 0 H ILE A 38 4.338 -4.993 -3.150 1.00 0.00 H new ATOM 0 HA ILE A 38 5.220 -3.369 -5.491 1.00 0.00 H new ATOM 0 HB ILE A 38 4.094 -1.882 -3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.877 -0.962 -3.594 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.511 -1.578 -5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.380 -1.489 -1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.822 -3.176 -1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.518 -2.778 -2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.941 0.830 -5.032 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.474 -0.142 -5.297 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.845 0.485 -3.673 1.00 0.00 H new ATOM 590 N GLU A 39 7.669 -3.774 -4.749 1.00 0.00 N ATOM 591 CA GLU A 39 9.014 -4.349 -4.462 1.00 0.00 C ATOM 592 C GLU A 39 9.973 -3.227 -4.060 1.00 0.00 C ATOM 593 O GLU A 39 10.189 -2.287 -4.799 1.00 0.00 O ATOM 594 CB GLU A 39 9.546 -5.051 -5.714 1.00 0.00 C ATOM 595 CG GLU A 39 9.921 -6.493 -5.370 1.00 0.00 C ATOM 596 CD GLU A 39 9.527 -7.414 -6.527 1.00 0.00 C ATOM 597 OE1 GLU A 39 8.340 -7.583 -6.745 1.00 0.00 O ATOM 598 OE2 GLU A 39 10.421 -7.933 -7.175 1.00 0.00 O ATOM 0 H GLU A 39 7.647 -3.067 -5.484 1.00 0.00 H new ATOM 0 HA GLU A 39 8.935 -5.069 -3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.791 -5.038 -6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.416 -4.520 -6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.992 -6.566 -5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.415 -6.803 -4.456 1.00 0.00 H new ATOM 605 N THR A 40 10.551 -3.318 -2.894 1.00 0.00 N ATOM 606 CA THR A 40 11.497 -2.256 -2.445 1.00 0.00 C ATOM 607 C THR A 40 12.935 -2.746 -2.622 1.00 0.00 C ATOM 608 O THR A 40 13.224 -3.559 -3.479 1.00 0.00 O ATOM 609 CB THR A 40 11.243 -1.937 -0.970 1.00 0.00 C ATOM 610 OG1 THR A 40 11.593 -3.064 -0.178 1.00 0.00 O ATOM 611 CG2 THR A 40 9.764 -1.606 -0.765 1.00 0.00 C ATOM 0 H THR A 40 10.410 -4.081 -2.232 1.00 0.00 H new ATOM 0 HA THR A 40 11.344 -1.357 -3.042 1.00 0.00 H new ATOM 0 HB THR A 40 11.848 -1.081 -0.673 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.433 -2.862 0.767 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.584 -1.379 0.286 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.497 -0.742 -1.374 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.156 -2.461 -1.061 1.00 0.00 H new ATOM 619 N ASP A 41 13.841 -2.257 -1.818 1.00 0.00 N ATOM 620 CA ASP A 41 15.260 -2.690 -1.936 1.00 0.00 C ATOM 621 C ASP A 41 15.319 -4.204 -2.148 1.00 0.00 C ATOM 622 O ASP A 41 15.783 -4.681 -3.165 1.00 0.00 O ATOM 623 CB ASP A 41 16.013 -2.324 -0.656 1.00 0.00 C ATOM 624 CG ASP A 41 17.439 -2.874 -0.726 1.00 0.00 C ATOM 625 OD1 ASP A 41 17.819 -3.346 -1.785 1.00 0.00 O ATOM 626 OD2 ASP A 41 18.127 -2.813 0.280 1.00 0.00 O ATOM 0 H ASP A 41 13.657 -1.574 -1.083 1.00 0.00 H new ATOM 0 HA ASP A 41 15.722 -2.188 -2.786 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.035 -1.241 -0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 41 15.496 -2.734 0.212 1.00 0.00 H new ATOM 631 N LYS A 42 14.856 -4.965 -1.194 1.00 0.00 N ATOM 632 CA LYS A 42 14.887 -6.447 -1.341 1.00 0.00 C ATOM 633 C LYS A 42 13.709 -7.060 -0.580 1.00 0.00 C ATOM 634 O LYS A 42 13.696 -8.239 -0.283 1.00 0.00 O ATOM 635 CB LYS A 42 16.200 -6.989 -0.773 1.00 0.00 C ATOM 636 CG LYS A 42 17.343 -6.678 -1.740 1.00 0.00 C ATOM 637 CD LYS A 42 18.375 -7.807 -1.691 1.00 0.00 C ATOM 638 CE LYS A 42 19.169 -7.829 -3.000 1.00 0.00 C ATOM 639 NZ LYS A 42 20.625 -7.906 -2.695 1.00 0.00 N ATOM 0 H LYS A 42 14.458 -4.624 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 42 14.813 -6.709 -2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 42 16.400 -6.540 0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 42 16.124 -8.065 -0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 42 16.956 -6.568 -2.753 1.00 0.00 H new ATOM 0 HG3 LYS A 42 17.812 -5.731 -1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.049 -7.662 -0.847 1.00 0.00 H new ATOM 0 HD3 LYS A 42 17.876 -8.764 -1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 42 18.868 -8.683 -3.606 1.00 0.00 H new ATOM 0 HE3 LYS A 42 18.955 -6.933 -3.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 21.165 -7.921 -3.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 20.906 -7.078 -2.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 20.821 -8.773 -2.156 1.00 0.00 H new ATOM 653 N VAL A 43 12.720 -6.270 -0.261 1.00 0.00 N ATOM 654 CA VAL A 43 11.546 -6.809 0.480 1.00 0.00 C ATOM 655 C VAL A 43 10.281 -6.620 -0.360 1.00 0.00 C ATOM 656 O VAL A 43 10.300 -5.975 -1.390 1.00 0.00 O ATOM 657 CB VAL A 43 11.394 -6.061 1.805 1.00 0.00 C ATOM 658 CG1 VAL A 43 10.655 -6.946 2.811 1.00 0.00 C ATOM 659 CG2 VAL A 43 12.779 -5.714 2.357 1.00 0.00 C ATOM 0 H VAL A 43 12.675 -5.275 -0.482 1.00 0.00 H new ATOM 0 HA VAL A 43 11.696 -7.871 0.676 1.00 0.00 H new ATOM 0 HB VAL A 43 10.826 -5.145 1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.547 -6.412 3.755 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.668 -7.195 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 43 11.222 -7.862 2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.671 -5.181 3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.346 -6.631 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.308 -5.083 1.643 1.00 0.00 H new ATOM 669 N VAL A 44 9.183 -7.176 0.071 1.00 0.00 N ATOM 670 CA VAL A 44 7.918 -7.028 -0.703 1.00 0.00 C ATOM 671 C VAL A 44 6.801 -6.562 0.232 1.00 0.00 C ATOM 672 O VAL A 44 6.545 -7.161 1.258 1.00 0.00 O ATOM 673 CB VAL A 44 7.538 -8.373 -1.322 1.00 0.00 C ATOM 674 CG1 VAL A 44 7.068 -9.327 -0.223 1.00 0.00 C ATOM 675 CG2 VAL A 44 6.406 -8.166 -2.333 1.00 0.00 C ATOM 0 H VAL A 44 9.107 -7.727 0.926 1.00 0.00 H new ATOM 0 HA VAL A 44 8.060 -6.292 -1.495 1.00 0.00 H new ATOM 0 HB VAL A 44 8.406 -8.799 -1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.797 -10.286 -0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.871 -9.474 0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.200 -8.902 0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.134 -9.124 -2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.539 -7.741 -1.827 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.738 -7.486 -3.117 1.00 0.00 H new ATOM 685 N MET A 45 6.132 -5.496 -0.113 1.00 0.00 N ATOM 686 CA MET A 45 5.031 -4.992 0.757 1.00 0.00 C ATOM 687 C MET A 45 3.695 -5.137 0.025 1.00 0.00 C ATOM 688 O MET A 45 3.521 -4.644 -1.071 1.00 0.00 O ATOM 689 CB MET A 45 5.275 -3.519 1.086 1.00 0.00 C ATOM 690 CG MET A 45 6.226 -3.413 2.280 1.00 0.00 C ATOM 691 SD MET A 45 7.470 -2.139 1.949 1.00 0.00 S ATOM 692 CE MET A 45 8.891 -3.026 2.633 1.00 0.00 C ATOM 0 H MET A 45 6.300 -4.952 -0.959 1.00 0.00 H new ATOM 0 HA MET A 45 5.004 -5.571 1.680 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.701 -3.008 0.222 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.331 -3.025 1.315 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.667 -3.165 3.183 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.711 -4.373 2.459 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.811 -2.516 2.346 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.815 -3.052 3.720 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.905 -4.045 2.246 1.00 0.00 H new ATOM 702 N GLU A 46 2.752 -5.811 0.623 1.00 0.00 N ATOM 703 CA GLU A 46 1.428 -5.987 -0.039 1.00 0.00 C ATOM 704 C GLU A 46 0.541 -4.780 0.268 1.00 0.00 C ATOM 705 O GLU A 46 0.626 -4.186 1.325 1.00 0.00 O ATOM 706 CB GLU A 46 0.759 -7.259 0.487 1.00 0.00 C ATOM 707 CG GLU A 46 0.642 -7.182 2.011 1.00 0.00 C ATOM 708 CD GLU A 46 -0.827 -7.005 2.401 1.00 0.00 C ATOM 709 OE1 GLU A 46 -1.615 -7.879 2.078 1.00 0.00 O ATOM 710 OE2 GLU A 46 -1.140 -5.999 3.015 1.00 0.00 O ATOM 0 H GLU A 46 2.840 -6.247 1.541 1.00 0.00 H new ATOM 0 HA GLU A 46 1.569 -6.070 -1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.229 -7.374 0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.342 -8.134 0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.043 -8.089 2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.233 -6.348 2.390 1.00 0.00 H new ATOM 717 N VAL A 47 -0.310 -4.409 -0.649 1.00 0.00 N ATOM 718 CA VAL A 47 -1.202 -3.240 -0.409 1.00 0.00 C ATOM 719 C VAL A 47 -2.659 -3.705 -0.389 1.00 0.00 C ATOM 720 O VAL A 47 -3.249 -3.976 -1.417 1.00 0.00 O ATOM 721 CB VAL A 47 -1.010 -2.214 -1.527 1.00 0.00 C ATOM 722 CG1 VAL A 47 -1.889 -0.991 -1.256 1.00 0.00 C ATOM 723 CG2 VAL A 47 0.458 -1.784 -1.576 1.00 0.00 C ATOM 0 H VAL A 47 -0.426 -4.865 -1.554 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.953 -2.784 0.549 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.292 -2.660 -2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.752 -0.260 -2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.935 -1.296 -1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.607 -0.545 -0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.597 -1.053 -2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.739 -1.339 -0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.086 -2.654 -1.769 1.00 0.00 H new ATOM 733 N LEU A 48 -3.245 -3.801 0.773 1.00 0.00 N ATOM 734 CA LEU A 48 -4.663 -4.251 0.858 1.00 0.00 C ATOM 735 C LEU A 48 -5.561 -3.048 1.154 1.00 0.00 C ATOM 736 O LEU A 48 -5.101 -2.002 1.568 1.00 0.00 O ATOM 737 CB LEU A 48 -4.804 -5.281 1.980 1.00 0.00 C ATOM 738 CG LEU A 48 -5.946 -6.243 1.648 1.00 0.00 C ATOM 739 CD1 LEU A 48 -5.423 -7.681 1.664 1.00 0.00 C ATOM 740 CD2 LEU A 48 -7.055 -6.095 2.692 1.00 0.00 C ATOM 0 H LEU A 48 -2.803 -3.587 1.667 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.960 -4.702 -0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.872 -5.833 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.001 -4.778 2.927 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.341 -6.010 0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.237 -8.367 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.631 -7.788 0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.028 -7.914 2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.870 -6.780 2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.658 -6.329 3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.428 -5.071 2.684 1.00 0.00 H new ATOM 752 N ALA A 49 -6.842 -3.187 0.946 1.00 0.00 N ATOM 753 CA ALA A 49 -7.769 -2.052 1.216 1.00 0.00 C ATOM 754 C ALA A 49 -8.156 -2.051 2.697 1.00 0.00 C ATOM 755 O ALA A 49 -7.956 -3.022 3.401 1.00 0.00 O ATOM 756 CB ALA A 49 -9.028 -2.207 0.360 1.00 0.00 C ATOM 0 H ALA A 49 -7.286 -4.038 0.601 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.275 -1.112 0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.706 -1.377 0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.753 -2.208 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.523 -3.146 0.607 1.00 0.00 H new ATOM 762 N GLU A 50 -8.709 -0.970 3.175 1.00 0.00 N ATOM 763 CA GLU A 50 -9.107 -0.908 4.609 1.00 0.00 C ATOM 764 C GLU A 50 -10.630 -1.017 4.723 1.00 0.00 C ATOM 765 O GLU A 50 -11.189 -0.922 5.798 1.00 0.00 O ATOM 766 CB GLU A 50 -8.643 0.421 5.209 1.00 0.00 C ATOM 767 CG GLU A 50 -7.659 0.150 6.350 1.00 0.00 C ATOM 768 CD GLU A 50 -8.264 0.627 7.670 1.00 0.00 C ATOM 769 OE1 GLU A 50 -8.836 1.704 7.683 1.00 0.00 O ATOM 770 OE2 GLU A 50 -8.146 -0.094 8.648 1.00 0.00 O ATOM 0 H GLU A 50 -8.902 -0.127 2.634 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.644 -1.733 5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.167 1.032 4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.500 0.984 5.579 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.434 -0.915 6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.717 0.666 6.162 1.00 0.00 H new ATOM 777 N ALA A 51 -11.307 -1.214 3.624 1.00 0.00 N ATOM 778 CA ALA A 51 -12.792 -1.327 3.674 1.00 0.00 C ATOM 779 C ALA A 51 -13.364 -1.152 2.266 1.00 0.00 C ATOM 780 O ALA A 51 -12.678 -0.735 1.355 1.00 0.00 O ATOM 781 CB ALA A 51 -13.356 -0.241 4.593 1.00 0.00 C ATOM 0 H ALA A 51 -10.896 -1.301 2.695 1.00 0.00 H new ATOM 0 HA ALA A 51 -13.069 -2.308 4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -14.442 -0.323 4.630 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.949 -0.366 5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.079 0.741 4.208 1.00 0.00 H new ATOM 787 N ASP A 52 -14.617 -1.466 2.082 1.00 0.00 N ATOM 788 CA ASP A 52 -15.232 -1.316 0.732 1.00 0.00 C ATOM 789 C ASP A 52 -14.928 0.082 0.190 1.00 0.00 C ATOM 790 O ASP A 52 -14.420 0.938 0.889 1.00 0.00 O ATOM 791 CB ASP A 52 -16.752 -1.543 0.841 1.00 0.00 C ATOM 792 CG ASP A 52 -17.511 -0.727 -0.212 1.00 0.00 C ATOM 793 OD1 ASP A 52 -17.526 0.487 -0.094 1.00 0.00 O ATOM 794 OD2 ASP A 52 -18.063 -1.331 -1.117 1.00 0.00 O ATOM 0 H ASP A 52 -15.241 -1.820 2.807 1.00 0.00 H new ATOM 0 HA ASP A 52 -14.817 -2.053 0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.974 -2.602 0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -17.094 -1.263 1.838 1.00 0.00 H new ATOM 799 N GLY A 53 -15.238 0.315 -1.052 1.00 0.00 N ATOM 800 CA GLY A 53 -14.974 1.652 -1.653 1.00 0.00 C ATOM 801 C GLY A 53 -14.774 1.505 -3.163 1.00 0.00 C ATOM 802 O GLY A 53 -15.115 0.495 -3.748 1.00 0.00 O ATOM 0 H GLY A 53 -15.665 -0.365 -1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.808 2.324 -1.450 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.088 2.097 -1.200 1.00 0.00 H new ATOM 806 N VAL A 54 -14.225 2.503 -3.799 1.00 0.00 N ATOM 807 CA VAL A 54 -14.005 2.418 -5.270 1.00 0.00 C ATOM 808 C VAL A 54 -12.616 2.962 -5.609 1.00 0.00 C ATOM 809 O VAL A 54 -12.271 4.073 -5.261 1.00 0.00 O ATOM 810 CB VAL A 54 -15.068 3.249 -5.993 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.683 3.403 -7.465 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.421 2.541 -5.892 1.00 0.00 C ATOM 0 H VAL A 54 -13.919 3.373 -3.364 1.00 0.00 H new ATOM 0 HA VAL A 54 -14.077 1.378 -5.589 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.136 4.234 -5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.440 3.995 -7.979 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.718 3.905 -7.538 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.615 2.419 -7.928 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -17.180 3.131 -6.406 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -16.352 1.556 -6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.696 2.431 -4.843 1.00 0.00 H new ATOM 822 N ILE A 55 -11.816 2.185 -6.287 1.00 0.00 N ATOM 823 CA ILE A 55 -10.449 2.656 -6.648 1.00 0.00 C ATOM 824 C ILE A 55 -10.556 3.894 -7.542 1.00 0.00 C ATOM 825 O ILE A 55 -11.579 4.149 -8.145 1.00 0.00 O ATOM 826 CB ILE A 55 -9.713 1.546 -7.400 1.00 0.00 C ATOM 827 CG1 ILE A 55 -9.730 0.266 -6.560 1.00 0.00 C ATOM 828 CG2 ILE A 55 -8.265 1.974 -7.656 1.00 0.00 C ATOM 829 CD1 ILE A 55 -8.759 0.408 -5.385 1.00 0.00 C ATOM 0 H ILE A 55 -12.050 1.245 -6.606 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.899 2.909 -5.742 1.00 0.00 H new ATOM 0 HB ILE A 55 -10.208 1.361 -8.353 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.738 0.075 -6.191 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.449 -0.588 -7.176 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.741 1.183 -8.192 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.255 2.885 -8.254 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.767 2.159 -6.704 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.773 -0.504 -4.789 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.751 0.578 -5.764 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.060 1.252 -4.764 1.00 0.00 H new ATOM 841 N ALA A 56 -9.507 4.666 -7.629 1.00 0.00 N ATOM 842 CA ALA A 56 -9.549 5.886 -8.483 1.00 0.00 C ATOM 843 C ALA A 56 -8.849 5.602 -9.814 1.00 0.00 C ATOM 844 O ALA A 56 -9.468 5.584 -10.860 1.00 0.00 O ATOM 845 CB ALA A 56 -8.835 7.034 -7.766 1.00 0.00 C ATOM 0 H ALA A 56 -8.623 4.504 -7.146 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.586 6.163 -8.670 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.865 7.927 -8.390 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.333 7.237 -6.818 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.798 6.757 -7.579 1.00 0.00 H new ATOM 851 N GLU A 57 -7.564 5.378 -9.783 1.00 0.00 N ATOM 852 CA GLU A 57 -6.827 5.095 -11.047 1.00 0.00 C ATOM 853 C GLU A 57 -5.336 4.936 -10.743 1.00 0.00 C ATOM 854 O GLU A 57 -4.783 5.637 -9.919 1.00 0.00 O ATOM 855 CB GLU A 57 -7.028 6.254 -12.025 1.00 0.00 C ATOM 856 CG GLU A 57 -6.081 6.088 -13.215 1.00 0.00 C ATOM 857 CD GLU A 57 -6.233 7.283 -14.159 1.00 0.00 C ATOM 858 OE1 GLU A 57 -5.627 8.306 -13.889 1.00 0.00 O ATOM 859 OE2 GLU A 57 -6.953 7.153 -15.136 1.00 0.00 O ATOM 0 H GLU A 57 -6.993 5.379 -8.938 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.207 4.175 -11.491 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.062 6.278 -12.370 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.837 7.203 -11.525 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.051 6.015 -12.866 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.304 5.162 -13.745 1.00 0.00 H new ATOM 866 N ILE A 58 -4.681 4.020 -11.402 1.00 0.00 N ATOM 867 CA ILE A 58 -3.226 3.818 -11.151 1.00 0.00 C ATOM 868 C ILE A 58 -2.417 4.685 -12.118 1.00 0.00 C ATOM 869 O ILE A 58 -2.898 5.086 -13.159 1.00 0.00 O ATOM 870 CB ILE A 58 -2.871 2.345 -11.366 1.00 0.00 C ATOM 871 CG1 ILE A 58 -3.865 1.464 -10.606 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.457 2.078 -10.850 1.00 0.00 C ATOM 873 CD1 ILE A 58 -4.028 1.991 -9.178 1.00 0.00 C ATOM 0 H ILE A 58 -5.090 3.403 -12.103 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.991 4.102 -10.125 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.918 2.113 -12.430 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.828 1.461 -11.116 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.512 0.433 -10.586 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.206 1.029 -11.004 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.748 2.704 -11.391 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.408 2.311 -9.786 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.736 1.363 -8.637 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.064 1.971 -8.670 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.401 3.015 -9.208 1.00 0.00 H new ATOM 885 N VAL A 59 -1.190 4.977 -11.782 1.00 0.00 N ATOM 886 CA VAL A 59 -0.352 5.819 -12.682 1.00 0.00 C ATOM 887 C VAL A 59 0.401 4.918 -13.663 1.00 0.00 C ATOM 888 O VAL A 59 0.149 4.931 -14.852 1.00 0.00 O ATOM 889 CB VAL A 59 0.653 6.615 -11.847 1.00 0.00 C ATOM 890 CG1 VAL A 59 1.685 7.263 -12.771 1.00 0.00 C ATOM 891 CG2 VAL A 59 -0.086 7.705 -11.066 1.00 0.00 C ATOM 0 H VAL A 59 -0.732 4.669 -10.924 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.990 6.508 -13.235 1.00 0.00 H new ATOM 0 HB VAL A 59 1.159 5.946 -11.151 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.401 7.830 -12.176 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.210 6.488 -13.330 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.180 7.933 -13.467 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.628 8.273 -10.470 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.590 8.374 -11.763 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.823 7.245 -10.407 1.00 0.00 H new ATOM 901 N LYS A 60 1.324 4.135 -13.175 1.00 0.00 N ATOM 902 CA LYS A 60 2.090 3.234 -14.079 1.00 0.00 C ATOM 903 C LYS A 60 1.530 1.814 -13.975 1.00 0.00 C ATOM 904 O LYS A 60 0.659 1.537 -13.175 1.00 0.00 O ATOM 905 CB LYS A 60 3.564 3.232 -13.669 1.00 0.00 C ATOM 906 CG LYS A 60 4.411 3.813 -14.804 1.00 0.00 C ATOM 907 CD LYS A 60 4.877 2.683 -15.724 1.00 0.00 C ATOM 908 CE LYS A 60 3.973 2.619 -16.955 1.00 0.00 C ATOM 909 NZ LYS A 60 4.563 3.445 -18.047 1.00 0.00 N ATOM 0 H LYS A 60 1.580 4.081 -12.189 1.00 0.00 H new ATOM 0 HA LYS A 60 2.000 3.587 -15.106 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.701 3.820 -12.761 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.888 2.216 -13.443 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.829 4.541 -15.370 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.272 4.342 -14.395 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.910 2.850 -16.027 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.851 1.732 -15.191 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.862 1.586 -17.285 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.976 2.983 -16.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.949 3.402 -18.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.647 4.432 -17.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.505 3.078 -18.289 1.00 0.00 H new ATOM 923 N ASN A 61 2.022 0.911 -14.779 1.00 0.00 N ATOM 924 CA ASN A 61 1.515 -0.489 -14.724 1.00 0.00 C ATOM 925 C ASN A 61 2.435 -1.330 -13.837 1.00 0.00 C ATOM 926 O ASN A 61 3.596 -1.019 -13.659 1.00 0.00 O ATOM 927 CB ASN A 61 1.489 -1.078 -16.135 1.00 0.00 C ATOM 928 CG ASN A 61 0.440 -0.347 -16.976 1.00 0.00 C ATOM 929 OD1 ASN A 61 -0.553 -0.926 -17.365 1.00 0.00 O ATOM 930 ND2 ASN A 61 0.621 0.910 -17.272 1.00 0.00 N ATOM 0 H ASN A 61 2.752 1.082 -15.470 1.00 0.00 H new ATOM 0 HA ASN A 61 0.507 -0.494 -14.310 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.471 -0.984 -16.598 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.258 -2.142 -16.092 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.072 1.407 -17.831 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.456 1.396 -16.945 1.00 0.00 H new ATOM 937 N GLU A 62 1.925 -2.393 -13.279 1.00 0.00 N ATOM 938 CA GLU A 62 2.770 -3.254 -12.403 1.00 0.00 C ATOM 939 C GLU A 62 3.954 -3.793 -13.210 1.00 0.00 C ATOM 940 O GLU A 62 3.864 -3.991 -14.405 1.00 0.00 O ATOM 941 CB GLU A 62 1.935 -4.423 -11.878 1.00 0.00 C ATOM 942 CG GLU A 62 1.046 -4.961 -12.999 1.00 0.00 C ATOM 943 CD GLU A 62 1.345 -6.445 -13.220 1.00 0.00 C ATOM 944 OE1 GLU A 62 2.404 -6.745 -13.747 1.00 0.00 O ATOM 945 OE2 GLU A 62 0.510 -7.258 -12.856 1.00 0.00 O ATOM 0 H GLU A 62 0.960 -2.703 -13.391 1.00 0.00 H new ATOM 0 HA GLU A 62 3.140 -2.667 -11.562 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.589 -5.213 -11.508 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.322 -4.097 -11.038 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.004 -4.825 -12.741 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.224 -4.403 -13.918 1.00 0.00 H new ATOM 952 N GLY A 63 5.063 -4.031 -12.565 1.00 0.00 N ATOM 953 CA GLY A 63 6.252 -4.556 -13.296 1.00 0.00 C ATOM 954 C GLY A 63 7.129 -3.388 -13.751 1.00 0.00 C ATOM 955 O GLY A 63 8.257 -3.570 -14.162 1.00 0.00 O ATOM 0 H GLY A 63 5.198 -3.885 -11.565 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.823 -5.223 -12.651 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.933 -5.142 -14.158 1.00 0.00 H new ATOM 959 N ASP A 64 6.619 -2.189 -13.679 1.00 0.00 N ATOM 960 CA ASP A 64 7.423 -1.011 -14.108 1.00 0.00 C ATOM 961 C ASP A 64 8.262 -0.514 -12.927 1.00 0.00 C ATOM 962 O ASP A 64 8.098 -0.950 -11.805 1.00 0.00 O ATOM 963 CB ASP A 64 6.476 0.095 -14.609 1.00 0.00 C ATOM 964 CG ASP A 64 7.066 1.488 -14.358 1.00 0.00 C ATOM 965 OD1 ASP A 64 7.879 1.919 -15.159 1.00 0.00 O ATOM 966 OD2 ASP A 64 6.694 2.097 -13.368 1.00 0.00 O ATOM 0 H ASP A 64 5.681 -1.975 -13.342 1.00 0.00 H new ATOM 0 HA ASP A 64 8.095 -1.290 -14.920 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.290 -0.037 -15.675 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.513 0.009 -14.105 1.00 0.00 H new ATOM 971 N THR A 65 9.157 0.396 -13.179 1.00 0.00 N ATOM 972 CA THR A 65 10.014 0.930 -12.083 1.00 0.00 C ATOM 973 C THR A 65 9.473 2.287 -11.628 1.00 0.00 C ATOM 974 O THR A 65 9.129 3.130 -12.434 1.00 0.00 O ATOM 975 CB THR A 65 11.449 1.095 -12.589 1.00 0.00 C ATOM 976 OG1 THR A 65 11.961 -0.172 -12.975 1.00 0.00 O ATOM 977 CG2 THR A 65 12.319 1.683 -11.478 1.00 0.00 C ATOM 0 H THR A 65 9.334 0.796 -14.100 1.00 0.00 H new ATOM 0 HA THR A 65 10.004 0.235 -11.243 1.00 0.00 H new ATOM 0 HB THR A 65 11.458 1.767 -13.447 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.879 -0.068 -13.301 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.341 1.800 -11.839 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.925 2.655 -11.183 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.313 1.013 -10.618 1.00 0.00 H new ATOM 985 N VAL A 66 9.395 2.506 -10.344 1.00 0.00 N ATOM 986 CA VAL A 66 8.877 3.809 -9.841 1.00 0.00 C ATOM 987 C VAL A 66 9.967 4.511 -9.028 1.00 0.00 C ATOM 988 O VAL A 66 11.078 4.032 -8.919 1.00 0.00 O ATOM 989 CB VAL A 66 7.657 3.563 -8.951 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.679 2.633 -9.671 1.00 0.00 C ATOM 991 CG2 VAL A 66 8.106 2.913 -7.641 1.00 0.00 C ATOM 0 H VAL A 66 9.668 1.839 -9.622 1.00 0.00 H new ATOM 0 HA VAL A 66 8.591 4.437 -10.685 1.00 0.00 H new ATOM 0 HB VAL A 66 7.166 4.512 -8.738 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.810 2.458 -9.037 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.359 3.094 -10.605 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.170 1.683 -9.884 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.238 2.737 -7.006 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.597 1.964 -7.855 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.804 3.574 -7.127 1.00 0.00 H new ATOM 1001 N LEU A 67 9.659 5.643 -8.457 1.00 0.00 N ATOM 1002 CA LEU A 67 10.678 6.374 -7.653 1.00 0.00 C ATOM 1003 C LEU A 67 10.163 6.558 -6.224 1.00 0.00 C ATOM 1004 O LEU A 67 8.985 6.435 -5.957 1.00 0.00 O ATOM 1005 CB LEU A 67 10.938 7.744 -8.283 1.00 0.00 C ATOM 1006 CG LEU A 67 11.035 7.599 -9.802 1.00 0.00 C ATOM 1007 CD1 LEU A 67 11.430 8.941 -10.420 1.00 0.00 C ATOM 1008 CD2 LEU A 67 12.094 6.549 -10.145 1.00 0.00 C ATOM 0 H LEU A 67 8.745 6.093 -8.513 1.00 0.00 H new ATOM 0 HA LEU A 67 11.606 5.802 -7.634 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.134 8.433 -8.024 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.861 8.168 -7.888 1.00 0.00 H new ATOM 0 HG LEU A 67 10.069 7.287 -10.200 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.499 8.837 -11.503 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.677 9.690 -10.175 1.00 0.00 H new ATOM 0 HD13 LEU A 67 12.396 9.254 -10.023 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.165 6.444 -11.228 1.00 0.00 H new ATOM 0 HD22 LEU A 67 13.059 6.862 -9.747 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.813 5.592 -9.705 1.00 0.00 H new ATOM 1020 N SER A 68 11.039 6.853 -5.302 1.00 0.00 N ATOM 1021 CA SER A 68 10.600 7.044 -3.892 1.00 0.00 C ATOM 1022 C SER A 68 9.672 8.258 -3.806 1.00 0.00 C ATOM 1023 O SER A 68 10.035 9.356 -4.177 1.00 0.00 O ATOM 1024 CB SER A 68 11.822 7.274 -3.003 1.00 0.00 C ATOM 1025 OG SER A 68 11.423 7.961 -1.824 1.00 0.00 O ATOM 0 H SER A 68 12.039 6.970 -5.465 1.00 0.00 H new ATOM 0 HA SER A 68 10.068 6.155 -3.555 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.282 6.320 -2.744 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.572 7.855 -3.540 1.00 0.00 H new ATOM 0 HG SER A 68 12.204 8.109 -1.251 1.00 0.00 H new ATOM 1031 N GLY A 69 8.476 8.069 -3.321 1.00 0.00 N ATOM 1032 CA GLY A 69 7.526 9.213 -3.212 1.00 0.00 C ATOM 1033 C GLY A 69 6.685 9.302 -4.487 1.00 0.00 C ATOM 1034 O GLY A 69 5.969 10.260 -4.705 1.00 0.00 O ATOM 0 H GLY A 69 8.115 7.172 -2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.879 9.080 -2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.075 10.142 -3.060 1.00 0.00 H new ATOM 1038 N GLU A 70 6.762 8.310 -5.331 1.00 0.00 N ATOM 1039 CA GLU A 70 5.967 8.339 -6.590 1.00 0.00 C ATOM 1040 C GLU A 70 4.559 7.805 -6.316 1.00 0.00 C ATOM 1041 O GLU A 70 4.373 6.639 -6.028 1.00 0.00 O ATOM 1042 CB GLU A 70 6.648 7.464 -7.645 1.00 0.00 C ATOM 1043 CG GLU A 70 6.087 7.801 -9.028 1.00 0.00 C ATOM 1044 CD GLU A 70 7.072 8.704 -9.772 1.00 0.00 C ATOM 1045 OE1 GLU A 70 8.261 8.447 -9.688 1.00 0.00 O ATOM 1046 OE2 GLU A 70 6.619 9.639 -10.414 1.00 0.00 O ATOM 0 H GLU A 70 7.341 7.480 -5.203 1.00 0.00 H new ATOM 0 HA GLU A 70 5.903 9.364 -6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.725 7.628 -7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.482 6.410 -7.421 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.916 6.886 -9.595 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.123 8.300 -8.929 1.00 0.00 H new ATOM 1053 N LEU A 71 3.567 8.649 -6.403 1.00 0.00 N ATOM 1054 CA LEU A 71 2.173 8.187 -6.148 1.00 0.00 C ATOM 1055 C LEU A 71 1.700 7.323 -7.317 1.00 0.00 C ATOM 1056 O LEU A 71 1.763 7.723 -8.462 1.00 0.00 O ATOM 1057 CB LEU A 71 1.254 9.402 -6.005 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.104 8.953 -5.463 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -0.219 9.341 -3.988 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.220 9.637 -6.257 1.00 0.00 C ATOM 0 H LEU A 71 3.661 9.637 -6.639 1.00 0.00 H new ATOM 0 HA LEU A 71 2.146 7.600 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.702 10.133 -5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.128 9.892 -6.971 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.195 7.871 -5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.187 9.021 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.576 8.856 -3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.128 10.423 -3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.189 9.318 -5.872 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.128 10.718 -6.156 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.139 9.362 -7.309 1.00 0.00 H new ATOM 1072 N LEU A 72 1.224 6.140 -7.037 1.00 0.00 N ATOM 1073 CA LEU A 72 0.747 5.251 -8.134 1.00 0.00 C ATOM 1074 C LEU A 72 -0.760 5.438 -8.322 1.00 0.00 C ATOM 1075 O LEU A 72 -1.212 5.953 -9.326 1.00 0.00 O ATOM 1076 CB LEU A 72 1.039 3.794 -7.774 1.00 0.00 C ATOM 1077 CG LEU A 72 2.549 3.597 -7.626 1.00 0.00 C ATOM 1078 CD1 LEU A 72 2.829 2.218 -7.027 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.212 3.700 -9.001 1.00 0.00 C ATOM 0 H LEU A 72 1.145 5.751 -6.097 1.00 0.00 H new ATOM 0 HA LEU A 72 1.264 5.506 -9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.534 3.530 -6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.649 3.132 -8.547 1.00 0.00 H new ATOM 0 HG LEU A 72 2.953 4.366 -6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.905 2.079 -6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.356 2.144 -6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.426 1.447 -7.684 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.288 3.560 -8.898 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.807 2.931 -9.659 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.014 4.683 -9.428 1.00 0.00 H new ATOM 1091 N GLY A 73 -1.543 5.023 -7.363 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.020 5.177 -7.488 1.00 0.00 C ATOM 1093 C GLY A 73 -3.594 5.678 -6.162 1.00 0.00 C ATOM 1094 O GLY A 73 -2.880 5.872 -5.198 1.00 0.00 O ATOM 0 H GLY A 73 -1.224 4.584 -6.499 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.257 5.879 -8.288 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.474 4.223 -7.756 1.00 0.00 H new ATOM 1098 N LYS A 74 -4.880 5.891 -6.105 1.00 0.00 N ATOM 1099 CA LYS A 74 -5.499 6.380 -4.841 1.00 0.00 C ATOM 1100 C LYS A 74 -6.900 5.783 -4.695 1.00 0.00 C ATOM 1101 O LYS A 74 -7.559 5.475 -5.668 1.00 0.00 O ATOM 1102 CB LYS A 74 -5.597 7.907 -4.878 1.00 0.00 C ATOM 1103 CG LYS A 74 -4.332 8.483 -5.515 1.00 0.00 C ATOM 1104 CD LYS A 74 -4.492 9.995 -5.693 1.00 0.00 C ATOM 1105 CE LYS A 74 -5.122 10.284 -7.058 1.00 0.00 C ATOM 1106 NZ LYS A 74 -6.565 10.609 -6.880 1.00 0.00 N ATOM 0 H LYS A 74 -5.529 5.748 -6.879 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.884 6.076 -3.994 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.475 8.212 -5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.720 8.299 -3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.467 8.270 -4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.150 8.010 -6.480 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.118 10.401 -4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.522 10.486 -5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.608 11.116 -7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.011 9.419 -7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.898 11.167 -7.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.114 9.728 -6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.692 11.160 -6.007 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.360 5.615 -3.486 1.00 0.00 N ATOM 1121 CA LEU A 75 -8.719 5.037 -3.278 1.00 0.00 C ATOM 1122 C LEU A 75 -9.718 6.165 -3.014 1.00 0.00 C ATOM 1123 O LEU A 75 -9.366 7.215 -2.514 1.00 0.00 O ATOM 1124 CB LEU A 75 -8.692 4.088 -2.079 1.00 0.00 C ATOM 1125 CG LEU A 75 -9.949 3.217 -2.088 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -9.804 2.121 -3.144 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.134 2.576 -0.711 1.00 0.00 C ATOM 0 H LEU A 75 -6.854 5.853 -2.633 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.020 4.487 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.802 3.460 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.639 4.658 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.816 3.834 -2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.700 1.501 -3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.672 2.577 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.937 1.503 -2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.030 1.955 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.266 1.959 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.238 3.357 0.043 1.00 0.00 H new ATOM 1139 N THR A 76 -10.962 5.957 -3.348 1.00 0.00 N ATOM 1140 CA THR A 76 -11.982 7.018 -3.116 1.00 0.00 C ATOM 1141 C THR A 76 -12.873 6.626 -1.941 1.00 0.00 C ATOM 1142 O THR A 76 -12.509 5.832 -1.098 1.00 0.00 O ATOM 1143 CB THR A 76 -12.837 7.198 -4.378 1.00 0.00 C ATOM 1144 OG1 THR A 76 -13.457 8.476 -4.355 1.00 0.00 O ATOM 1145 CG2 THR A 76 -13.910 6.107 -4.453 1.00 0.00 C ATOM 0 H THR A 76 -11.316 5.099 -3.771 1.00 0.00 H new ATOM 0 HA THR A 76 -11.479 7.957 -2.887 1.00 0.00 H new ATOM 0 HB THR A 76 -12.193 7.120 -5.254 1.00 0.00 H new ATOM 0 HG1 THR A 76 -14.001 8.590 -5.162 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.509 6.247 -5.353 1.00 0.00 H new ATOM 0 HG22 THR A 76 -13.432 5.128 -4.484 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.554 6.169 -3.576 1.00 0.00 H new