USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 468 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 22 THR OG1 : rot 180:sc= -0.0985 USER MOD Set 1.2: A 25 MET CE :methyl -179:sc= -0.0793 (180deg=-0.0675) USER MOD Single : A 8 SER OG : rot 169:sc= 1.11 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 108:sc= 1.26 USER MOD Single : A 23 MET CE :methyl -169:sc= -0.571 (180deg=-0.772) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1.05) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.576 K(o=0.58,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.458) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0487 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -163:sc= 0 (180deg=-0.192) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -13.860 -4.313 -0.791 1.00 0.00 N ATOM 60 CA GLY A 7 -13.261 -3.113 -1.362 1.00 0.00 C ATOM 61 C GLY A 7 -11.754 -3.245 -1.512 1.00 0.00 C ATOM 62 O GLY A 7 -11.211 -4.348 -1.412 1.00 0.00 O ATOM 0 HA2 GLY A 7 -13.706 -2.914 -2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.489 -2.257 -0.727 1.00 0.00 H new ATOM 66 N SER A 8 -11.082 -2.116 -1.722 1.00 0.00 N ATOM 67 CA SER A 8 -9.640 -2.041 -1.881 1.00 0.00 C ATOM 68 C SER A 8 -9.074 -0.856 -1.121 1.00 0.00 C ATOM 69 O SER A 8 -9.786 0.116 -0.843 1.00 0.00 O ATOM 70 CB SER A 8 -9.301 -1.897 -3.355 1.00 0.00 C ATOM 71 OG SER A 8 -9.943 -0.794 -3.974 1.00 0.00 O ATOM 0 H SER A 8 -11.541 -1.207 -1.787 1.00 0.00 H new ATOM 0 HA SER A 8 -9.200 -2.955 -1.482 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.222 -1.788 -3.463 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.583 -2.812 -3.876 1.00 0.00 H new ATOM 0 HG SER A 8 -9.551 -0.642 -4.859 1.00 0.00 H new ATOM 77 N VAL A 9 -7.795 -0.945 -0.762 1.00 0.00 N ATOM 78 CA VAL A 9 -7.125 0.124 -0.053 1.00 0.00 C ATOM 79 C VAL A 9 -6.811 1.247 -1.040 1.00 0.00 C ATOM 80 O VAL A 9 -6.258 1.021 -2.121 1.00 0.00 O ATOM 81 CB VAL A 9 -5.845 -0.366 0.646 1.00 0.00 C ATOM 82 CG1 VAL A 9 -5.210 0.764 1.473 1.00 0.00 C ATOM 83 CG2 VAL A 9 -6.166 -1.538 1.579 1.00 0.00 C ATOM 0 H VAL A 9 -7.206 -1.755 -0.955 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.786 0.494 0.731 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.145 -0.687 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.306 0.396 1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.956 1.596 0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.917 1.102 2.231 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.252 -1.875 2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.883 -1.216 2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.592 -2.358 1.000 1.00 0.00 H new ATOM 93 N VAL A 10 -7.175 2.457 -0.643 1.00 0.00 N ATOM 94 CA VAL A 10 -6.953 3.687 -1.371 1.00 0.00 C ATOM 95 C VAL A 10 -6.315 4.642 -0.357 1.00 0.00 C ATOM 96 O VAL A 10 -6.403 4.455 0.865 1.00 0.00 O ATOM 97 CB VAL A 10 -8.243 4.219 -2.039 1.00 0.00 C ATOM 98 CG1 VAL A 10 -8.871 3.185 -2.989 1.00 0.00 C ATOM 99 CG2 VAL A 10 -9.305 4.651 -1.025 1.00 0.00 C ATOM 0 H VAL A 10 -7.658 2.610 0.242 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.289 3.551 -2.224 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.924 5.093 -2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.774 3.602 -3.435 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.160 2.935 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.125 2.284 -2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.186 5.015 -1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.581 3.800 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.905 5.446 -0.396 1.00 0.00 H new ATOM 109 N ALA A 11 -5.609 5.647 -0.851 1.00 0.00 N ATOM 110 CA ALA A 11 -4.958 6.620 -0.005 1.00 0.00 C ATOM 111 C ALA A 11 -6.002 7.575 0.564 1.00 0.00 C ATOM 112 O ALA A 11 -6.807 8.140 -0.172 1.00 0.00 O ATOM 113 CB ALA A 11 -3.940 7.384 -0.822 1.00 0.00 C ATOM 0 H ALA A 11 -5.475 5.806 -1.849 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.452 6.119 0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.445 8.121 -0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.199 6.691 -1.221 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.442 7.892 -1.646 1.00 0.00 H new ATOM 119 N LYS A 12 -5.990 7.761 1.879 1.00 0.00 N ATOM 120 CA LYS A 12 -6.923 8.650 2.567 1.00 0.00 C ATOM 121 C LYS A 12 -6.592 10.117 2.299 1.00 0.00 C ATOM 122 O LYS A 12 -7.476 10.969 2.371 1.00 0.00 O ATOM 123 CB LYS A 12 -6.841 8.342 4.067 1.00 0.00 C ATOM 124 CG LYS A 12 -8.054 8.828 4.859 1.00 0.00 C ATOM 125 CD LYS A 12 -7.975 8.304 6.296 1.00 0.00 C ATOM 126 CE LYS A 12 -9.367 8.253 6.922 1.00 0.00 C ATOM 127 NZ LYS A 12 -9.353 7.614 8.251 1.00 0.00 N ATOM 0 H LYS A 12 -5.329 7.297 2.503 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.935 8.482 2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.736 7.266 4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.942 8.804 4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.087 9.917 4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.973 8.482 4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.530 7.309 6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.326 8.948 6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.762 9.265 7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.041 7.705 6.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.318 7.600 8.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.001 6.639 8.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.731 8.151 8.888 1.00 0.00 H new ATOM 141 N VAL A 13 -5.321 10.409 2.027 1.00 0.00 N ATOM 142 CA VAL A 13 -4.762 11.725 1.750 1.00 0.00 C ATOM 143 C VAL A 13 -3.619 11.554 0.748 1.00 0.00 C ATOM 144 O VAL A 13 -3.250 10.419 0.444 1.00 0.00 O ATOM 145 CB VAL A 13 -4.240 12.349 3.067 1.00 0.00 C ATOM 146 CG1 VAL A 13 -5.371 12.619 4.068 1.00 0.00 C ATOM 147 CG2 VAL A 13 -3.190 11.476 3.782 1.00 0.00 C ATOM 0 H VAL A 13 -4.608 9.680 1.993 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.520 12.388 1.332 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.776 13.285 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.956 13.057 4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.089 13.310 3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.872 11.682 4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.867 11.972 4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.628 10.509 4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.332 11.329 3.126 1.00 0.00 H new ATOM 157 N LYS A 14 -3.066 12.645 0.217 1.00 0.00 N ATOM 158 CA LYS A 14 -1.951 12.637 -0.727 1.00 0.00 C ATOM 159 C LYS A 14 -0.709 12.211 0.046 1.00 0.00 C ATOM 160 O LYS A 14 -0.363 12.846 1.045 1.00 0.00 O ATOM 161 CB LYS A 14 -1.795 14.044 -1.311 1.00 0.00 C ATOM 162 CG LYS A 14 -0.685 14.144 -2.361 1.00 0.00 C ATOM 163 CD LYS A 14 -0.546 15.577 -2.873 1.00 0.00 C ATOM 164 CE LYS A 14 0.245 15.561 -4.186 1.00 0.00 C ATOM 165 NZ LYS A 14 -0.015 16.775 -4.972 1.00 0.00 N ATOM 0 H LYS A 14 -3.392 13.586 0.439 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.116 11.946 -1.554 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.740 14.350 -1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.585 14.744 -0.503 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.260 13.815 -1.929 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.905 13.476 -3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.530 16.018 -3.031 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.036 16.194 -2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.311 15.484 -3.972 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.028 14.681 -4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.532 16.740 -5.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.029 16.834 -5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.268 17.611 -4.423 1.00 0.00 H new ATOM 179 N ILE A 15 -0.026 11.168 -0.409 1.00 0.00 N ATOM 180 CA ILE A 15 1.164 10.628 0.227 1.00 0.00 C ATOM 181 C ILE A 15 2.298 10.829 -0.775 1.00 0.00 C ATOM 182 O ILE A 15 2.373 10.077 -1.751 1.00 0.00 O ATOM 183 CB ILE A 15 0.906 9.159 0.624 1.00 0.00 C ATOM 184 CG1 ILE A 15 -0.223 9.081 1.681 1.00 0.00 C ATOM 185 CG2 ILE A 15 2.175 8.482 1.178 1.00 0.00 C ATOM 186 CD1 ILE A 15 -0.856 7.695 1.776 1.00 0.00 C ATOM 0 H ILE A 15 -0.294 10.662 -1.253 1.00 0.00 H new ATOM 0 HA ILE A 15 1.434 11.127 1.158 1.00 0.00 H new ATOM 0 HB ILE A 15 0.605 8.627 -0.279 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.179 9.358 2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.994 9.811 1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.949 7.450 1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.957 8.498 0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.517 9.019 2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.640 7.704 2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.286 7.425 0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.094 6.965 2.051 1.00 0.00 H new ATOM 198 N PRO A 16 3.160 11.847 -0.588 1.00 0.00 N ATOM 199 CA PRO A 16 4.253 12.076 -1.512 1.00 0.00 C ATOM 200 C PRO A 16 5.218 10.895 -1.506 1.00 0.00 C ATOM 201 O PRO A 16 5.249 10.102 -0.557 1.00 0.00 O ATOM 202 CB PRO A 16 4.912 13.393 -1.092 1.00 0.00 C ATOM 203 CG PRO A 16 4.514 13.568 0.371 1.00 0.00 C ATOM 204 CD PRO A 16 3.192 12.809 0.504 1.00 0.00 C ATOM 0 HA PRO A 16 3.905 12.157 -2.542 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.995 13.349 -1.206 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.560 14.225 -1.702 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.273 13.162 1.040 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.394 14.621 0.626 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.129 12.305 1.468 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.344 13.492 0.445 1.00 0.00 H new ATOM 212 N GLU A 17 5.996 10.770 -2.577 1.00 0.00 N ATOM 213 CA GLU A 17 6.975 9.710 -2.727 1.00 0.00 C ATOM 214 C GLU A 17 7.919 9.719 -1.519 1.00 0.00 C ATOM 215 O GLU A 17 8.171 10.760 -0.911 1.00 0.00 O ATOM 216 CB GLU A 17 7.716 9.925 -4.050 1.00 0.00 C ATOM 217 CG GLU A 17 8.905 8.984 -4.251 1.00 0.00 C ATOM 218 CD GLU A 17 9.724 9.263 -5.514 1.00 0.00 C ATOM 219 OE1 GLU A 17 9.301 10.069 -6.379 1.00 0.00 O ATOM 220 OE2 GLU A 17 10.860 8.737 -5.597 1.00 0.00 O ATOM 0 H GLU A 17 5.961 11.410 -3.370 1.00 0.00 H new ATOM 0 HA GLU A 17 6.500 8.729 -2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.015 9.791 -4.874 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.068 10.955 -4.095 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.561 9.056 -3.384 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.539 7.958 -4.289 1.00 0.00 H new ATOM 227 N GLY A 18 8.431 8.550 -1.136 1.00 0.00 N ATOM 228 CA GLY A 18 9.346 8.423 -0.019 1.00 0.00 C ATOM 229 C GLY A 18 8.688 8.541 1.361 1.00 0.00 C ATOM 230 O GLY A 18 9.403 8.543 2.368 1.00 0.00 O ATOM 0 H GLY A 18 8.218 7.666 -1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.849 7.458 -0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.115 9.190 -0.107 1.00 0.00 H new ATOM 234 N THR A 19 7.363 8.646 1.453 1.00 0.00 N ATOM 235 CA THR A 19 6.667 8.756 2.734 1.00 0.00 C ATOM 236 C THR A 19 6.269 7.361 3.218 1.00 0.00 C ATOM 237 O THR A 19 6.039 6.462 2.402 1.00 0.00 O ATOM 238 CB THR A 19 5.447 9.664 2.556 1.00 0.00 C ATOM 239 OG1 THR A 19 5.850 10.843 1.900 1.00 0.00 O ATOM 240 CG2 THR A 19 4.803 10.082 3.876 1.00 0.00 C ATOM 0 H THR A 19 6.743 8.657 0.643 1.00 0.00 H new ATOM 0 HA THR A 19 7.317 9.197 3.490 1.00 0.00 H new ATOM 0 HB THR A 19 4.715 9.091 1.986 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.512 10.837 0.980 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.945 10.724 3.675 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.474 9.195 4.417 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.530 10.626 4.479 1.00 0.00 H new ATOM 248 N ILE A 20 6.188 7.178 4.538 1.00 0.00 N ATOM 249 CA ILE A 20 5.823 5.922 5.165 1.00 0.00 C ATOM 250 C ILE A 20 4.313 5.848 5.349 1.00 0.00 C ATOM 251 O ILE A 20 3.685 6.820 5.787 1.00 0.00 O ATOM 252 CB ILE A 20 6.533 5.795 6.525 1.00 0.00 C ATOM 253 CG1 ILE A 20 8.053 6.013 6.407 1.00 0.00 C ATOM 254 CG2 ILE A 20 6.242 4.448 7.202 1.00 0.00 C ATOM 255 CD1 ILE A 20 8.761 5.124 5.386 1.00 0.00 C ATOM 0 H ILE A 20 6.380 7.921 5.209 1.00 0.00 H new ATOM 0 HA ILE A 20 6.135 5.098 4.524 1.00 0.00 H new ATOM 0 HB ILE A 20 6.126 6.587 7.154 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.235 7.055 6.145 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.505 5.846 7.385 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.763 4.401 8.158 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.169 4.348 7.368 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.587 3.637 6.561 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.826 5.355 5.379 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.618 4.077 5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.344 5.305 4.395 1.00 0.00 H new ATOM 267 N LEU A 21 3.739 4.688 5.028 1.00 0.00 N ATOM 268 CA LEU A 21 2.311 4.453 5.171 1.00 0.00 C ATOM 269 C LEU A 21 1.968 4.243 6.636 1.00 0.00 C ATOM 270 O LEU A 21 2.699 3.577 7.374 1.00 0.00 O ATOM 271 CB LEU A 21 1.868 3.201 4.407 1.00 0.00 C ATOM 272 CG LEU A 21 1.778 3.371 2.888 1.00 0.00 C ATOM 273 CD1 LEU A 21 1.216 2.081 2.293 1.00 0.00 C ATOM 274 CD2 LEU A 21 0.910 4.556 2.471 1.00 0.00 C ATOM 0 H LEU A 21 4.255 3.888 4.662 1.00 0.00 H new ATOM 0 HA LEU A 21 1.798 5.326 4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.566 2.393 4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.893 2.891 4.782 1.00 0.00 H new ATOM 0 HG LEU A 21 2.780 3.576 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.144 2.181 1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.877 1.249 2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.226 1.891 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.885 4.624 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.103 4.416 2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.327 5.475 2.883 1.00 0.00 H new ATOM 286 N THR A 22 0.809 4.745 7.036 1.00 0.00 N ATOM 287 CA THR A 22 0.257 4.665 8.378 1.00 0.00 C ATOM 288 C THR A 22 -1.237 4.367 8.208 1.00 0.00 C ATOM 289 O THR A 22 -1.810 4.703 7.164 1.00 0.00 O ATOM 290 CB THR A 22 0.535 5.991 9.112 1.00 0.00 C ATOM 291 OG1 THR A 22 0.097 7.081 8.329 1.00 0.00 O ATOM 292 CG2 THR A 22 2.027 6.192 9.391 1.00 0.00 C ATOM 0 H THR A 22 0.195 5.247 6.395 1.00 0.00 H new ATOM 0 HA THR A 22 0.708 3.880 8.985 1.00 0.00 H new ATOM 0 HB THR A 22 -0.004 5.943 10.058 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.277 7.919 8.805 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.176 7.139 9.910 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.394 5.376 10.014 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.575 6.204 8.449 1.00 0.00 H new ATOM 300 N MET A 23 -1.888 3.738 9.196 1.00 0.00 N ATOM 301 CA MET A 23 -3.321 3.435 9.083 1.00 0.00 C ATOM 302 C MET A 23 -4.126 4.727 8.903 1.00 0.00 C ATOM 303 O MET A 23 -5.109 4.780 8.172 1.00 0.00 O ATOM 304 CB MET A 23 -3.843 2.714 10.335 1.00 0.00 C ATOM 305 CG MET A 23 -3.466 1.240 10.423 1.00 0.00 C ATOM 306 SD MET A 23 -3.985 0.269 8.984 1.00 0.00 S ATOM 307 CE MET A 23 -3.405 -1.345 9.533 1.00 0.00 C ATOM 0 H MET A 23 -1.455 3.434 10.068 1.00 0.00 H new ATOM 0 HA MET A 23 -3.445 2.786 8.216 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.462 3.226 11.218 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.929 2.800 10.361 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.385 1.157 10.536 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.914 0.812 11.320 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.454 -2.051 8.704 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.375 -1.263 9.879 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.035 -1.700 10.349 1.00 0.00 H new ATOM 317 N ASP A 24 -3.659 5.793 9.546 1.00 0.00 N ATOM 318 CA ASP A 24 -4.237 7.129 9.547 1.00 0.00 C ATOM 319 C ASP A 24 -4.222 7.819 8.174 1.00 0.00 C ATOM 320 O ASP A 24 -4.905 8.828 7.991 1.00 0.00 O ATOM 321 CB ASP A 24 -3.436 7.912 10.576 1.00 0.00 C ATOM 322 CG ASP A 24 -3.880 9.345 10.827 1.00 0.00 C ATOM 323 OD1 ASP A 24 -5.093 9.589 11.032 1.00 0.00 O ATOM 324 OD2 ASP A 24 -2.964 10.195 10.903 1.00 0.00 O ATOM 0 H ASP A 24 -2.814 5.742 10.115 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.297 7.077 9.794 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.473 7.372 11.522 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.393 7.927 10.258 1.00 0.00 H new ATOM 329 N MET A 25 -3.485 7.283 7.195 1.00 0.00 N ATOM 330 CA MET A 25 -3.394 7.829 5.840 1.00 0.00 C ATOM 331 C MET A 25 -3.929 6.835 4.804 1.00 0.00 C ATOM 332 O MET A 25 -3.811 7.073 3.605 1.00 0.00 O ATOM 333 CB MET A 25 -1.956 8.255 5.525 1.00 0.00 C ATOM 334 CG MET A 25 -1.473 9.358 6.468 1.00 0.00 C ATOM 335 SD MET A 25 0.063 10.188 5.967 1.00 0.00 S ATOM 336 CE MET A 25 1.134 8.793 5.508 1.00 0.00 C ATOM 0 H MET A 25 -2.925 6.441 7.327 1.00 0.00 H new ATOM 0 HA MET A 25 -4.023 8.717 5.787 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.295 7.392 5.606 1.00 0.00 H new ATOM 0 HB3 MET A 25 -1.898 8.606 4.495 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.259 10.107 6.557 1.00 0.00 H new ATOM 0 HG3 MET A 25 -1.328 8.928 7.459 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.110 9.169 5.201 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.254 8.130 6.364 1.00 0.00 H new ATOM 0 HE3 MET A 25 0.681 8.243 4.683 1.00 0.00 H new ATOM 346 N LEU A 26 -4.504 5.712 5.236 1.00 0.00 N ATOM 347 CA LEU A 26 -5.066 4.686 4.368 1.00 0.00 C ATOM 348 C LEU A 26 -6.545 4.560 4.693 1.00 0.00 C ATOM 349 O LEU A 26 -6.978 4.873 5.802 1.00 0.00 O ATOM 350 CB LEU A 26 -4.377 3.334 4.608 1.00 0.00 C ATOM 351 CG LEU A 26 -2.906 3.252 4.165 1.00 0.00 C ATOM 352 CD1 LEU A 26 -2.352 1.877 4.559 1.00 0.00 C ATOM 353 CD2 LEU A 26 -2.748 3.471 2.654 1.00 0.00 C ATOM 0 H LEU A 26 -4.592 5.488 6.227 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.916 4.965 3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.431 3.102 5.672 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.940 2.561 4.084 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.349 4.045 4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.309 1.803 4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.421 1.753 5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.932 1.096 4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.694 3.405 2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.309 2.707 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.129 4.457 2.387 1.00 0.00 H new ATOM 365 N THR A 27 -7.331 4.130 3.724 1.00 0.00 N ATOM 366 CA THR A 27 -8.760 3.926 3.860 1.00 0.00 C ATOM 367 C THR A 27 -9.115 2.824 2.857 1.00 0.00 C ATOM 368 O THR A 27 -8.260 2.401 2.072 1.00 0.00 O ATOM 369 CB THR A 27 -9.499 5.264 3.665 1.00 0.00 C ATOM 370 OG1 THR A 27 -10.815 5.162 4.159 1.00 0.00 O ATOM 371 CG2 THR A 27 -9.529 5.749 2.216 1.00 0.00 C ATOM 0 H THR A 27 -6.981 3.906 2.792 1.00 0.00 H new ATOM 0 HA THR A 27 -9.071 3.598 4.852 1.00 0.00 H new ATOM 0 HB THR A 27 -8.934 6.008 4.227 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.279 6.016 4.034 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.066 6.696 2.160 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.509 5.889 1.858 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.033 5.009 1.595 1.00 0.00 H new ATOM 379 N VAL A 28 -10.349 2.325 2.871 1.00 0.00 N ATOM 380 CA VAL A 28 -10.772 1.289 1.941 1.00 0.00 C ATOM 381 C VAL A 28 -12.110 1.695 1.348 1.00 0.00 C ATOM 382 O VAL A 28 -13.074 1.997 2.062 1.00 0.00 O ATOM 383 CB VAL A 28 -10.675 -0.142 2.520 1.00 0.00 C ATOM 384 CG1 VAL A 28 -10.911 -0.249 4.026 1.00 0.00 C ATOM 385 CG2 VAL A 28 -11.614 -1.136 1.818 1.00 0.00 C ATOM 0 H VAL A 28 -11.075 2.626 3.521 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.069 1.217 1.111 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.635 -0.404 2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.822 -1.290 4.335 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -10.170 0.351 4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.910 0.116 4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.501 -2.123 2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.646 -0.802 1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.362 -1.189 0.759 1.00 0.00 H new ATOM 395 N LYS A 29 -12.132 1.794 0.021 1.00 0.00 N ATOM 396 CA LYS A 29 -13.304 2.157 -0.750 1.00 0.00 C ATOM 397 C LYS A 29 -14.034 0.843 -1.004 1.00 0.00 C ATOM 398 O LYS A 29 -13.530 -0.006 -1.741 1.00 0.00 O ATOM 399 CB LYS A 29 -12.852 2.899 -2.026 1.00 0.00 C ATOM 400 CG LYS A 29 -13.922 3.871 -2.541 1.00 0.00 C ATOM 401 CD LYS A 29 -13.448 4.715 -3.740 1.00 0.00 C ATOM 402 CE LYS A 29 -12.247 5.648 -3.505 1.00 0.00 C ATOM 403 NZ LYS A 29 -12.442 6.582 -2.377 1.00 0.00 N ATOM 0 H LYS A 29 -11.310 1.618 -0.557 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.983 2.846 -0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.934 3.449 -1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.619 2.172 -2.804 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.808 3.306 -2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.219 4.537 -1.731 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.195 4.036 -4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.287 5.322 -4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.359 5.045 -3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.058 6.221 -4.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.719 7.329 -2.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.387 7.011 -2.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.357 6.064 -1.479 1.00 0.00 H new ATOM 417 N VAL A 30 -15.125 0.578 -0.280 1.00 0.00 N ATOM 418 CA VAL A 30 -15.881 -0.656 -0.473 1.00 0.00 C ATOM 419 C VAL A 30 -16.482 -0.610 -1.873 1.00 0.00 C ATOM 420 O VAL A 30 -17.074 0.403 -2.257 1.00 0.00 O ATOM 421 CB VAL A 30 -16.909 -0.928 0.642 1.00 0.00 C ATOM 422 CG1 VAL A 30 -16.153 -1.300 1.922 1.00 0.00 C ATOM 423 CG2 VAL A 30 -17.890 0.210 0.941 1.00 0.00 C ATOM 0 H VAL A 30 -15.500 1.197 0.439 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.213 -1.514 -0.396 1.00 0.00 H new ATOM 0 HB VAL A 30 -17.534 -1.741 0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -16.867 -1.496 2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -15.553 -2.193 1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -15.500 -0.476 2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -18.565 -0.093 1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -17.336 1.096 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -18.468 0.437 0.045 1.00 0.00 H new ATOM 433 N GLY A 31 -16.350 -1.700 -2.626 1.00 0.00 N ATOM 434 CA GLY A 31 -16.863 -1.805 -3.978 1.00 0.00 C ATOM 435 C GLY A 31 -16.179 -2.945 -4.705 1.00 0.00 C ATOM 436 O GLY A 31 -16.802 -3.964 -5.004 1.00 0.00 O ATOM 0 H GLY A 31 -15.876 -2.544 -2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -17.940 -1.972 -3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -16.696 -0.870 -4.513 1.00 0.00 H new ATOM 440 N GLU A 32 -14.871 -2.818 -4.916 1.00 0.00 N ATOM 441 CA GLU A 32 -14.084 -3.814 -5.623 1.00 0.00 C ATOM 442 C GLU A 32 -12.672 -3.926 -5.054 1.00 0.00 C ATOM 443 O GLU A 32 -12.185 -2.949 -4.495 1.00 0.00 O ATOM 444 CB GLU A 32 -14.030 -3.409 -7.112 1.00 0.00 C ATOM 445 CG GLU A 32 -13.404 -2.033 -7.413 1.00 0.00 C ATOM 446 CD GLU A 32 -14.295 -0.836 -7.062 1.00 0.00 C ATOM 447 OE1 GLU A 32 -15.483 -0.841 -7.454 1.00 0.00 O ATOM 448 OE2 GLU A 32 -13.789 0.145 -6.468 1.00 0.00 O ATOM 0 H GLU A 32 -14.328 -2.015 -4.598 1.00 0.00 H new ATOM 0 HA GLU A 32 -14.552 -4.792 -5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.468 -4.169 -7.655 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.045 -3.419 -7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.468 -1.946 -6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.155 -1.986 -8.473 1.00 0.00 H new ATOM 455 N PRO A 33 -11.968 -5.055 -5.252 1.00 0.00 N ATOM 456 CA PRO A 33 -10.605 -5.250 -4.763 1.00 0.00 C ATOM 457 C PRO A 33 -9.552 -4.555 -5.650 1.00 0.00 C ATOM 458 O PRO A 33 -8.363 -4.845 -5.527 1.00 0.00 O ATOM 459 CB PRO A 33 -10.420 -6.769 -4.729 1.00 0.00 C ATOM 460 CG PRO A 33 -11.251 -7.231 -5.918 1.00 0.00 C ATOM 461 CD PRO A 33 -12.443 -6.276 -5.892 1.00 0.00 C ATOM 0 HA PRO A 33 -10.462 -4.798 -3.781 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.372 -7.052 -4.832 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.776 -7.200 -3.793 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.695 -7.158 -6.853 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.563 -8.270 -5.813 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -12.802 -6.073 -6.901 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.276 -6.708 -5.338 1.00 0.00 H new ATOM 469 N LYS A 34 -9.952 -3.679 -6.581 1.00 0.00 N ATOM 470 CA LYS A 34 -9.071 -2.943 -7.488 1.00 0.00 C ATOM 471 C LYS A 34 -7.971 -2.239 -6.696 1.00 0.00 C ATOM 472 O LYS A 34 -8.287 -1.290 -5.985 1.00 0.00 O ATOM 473 CB LYS A 34 -9.906 -1.914 -8.278 1.00 0.00 C ATOM 474 CG LYS A 34 -9.042 -1.045 -9.202 1.00 0.00 C ATOM 475 CD LYS A 34 -9.799 0.170 -9.740 1.00 0.00 C ATOM 476 CE LYS A 34 -8.807 1.084 -10.472 1.00 0.00 C ATOM 477 NZ LYS A 34 -9.437 2.343 -10.904 1.00 0.00 N ATOM 0 H LYS A 34 -10.937 -3.457 -6.726 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.601 -3.637 -8.184 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.655 -2.437 -8.872 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.444 -1.273 -7.579 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.160 -0.708 -8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.689 -1.649 -10.038 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.591 -0.148 -10.418 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.277 0.709 -8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.965 1.306 -9.816 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.405 0.562 -11.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.734 2.932 -11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.224 2.133 -11.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.798 2.854 -10.073 1.00 0.00 H new ATOM 491 N GLY A 35 -6.716 -2.676 -6.797 1.00 0.00 N ATOM 492 CA GLY A 35 -5.602 -2.058 -6.095 1.00 0.00 C ATOM 493 C GLY A 35 -4.829 -3.062 -5.266 1.00 0.00 C ATOM 494 O GLY A 35 -3.995 -3.804 -5.793 1.00 0.00 O ATOM 0 H GLY A 35 -6.447 -3.474 -7.373 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.932 -1.591 -6.817 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.976 -1.265 -5.448 1.00 0.00 H new ATOM 498 N TYR A 36 -5.121 -3.081 -3.967 1.00 0.00 N ATOM 499 CA TYR A 36 -4.500 -3.953 -2.989 1.00 0.00 C ATOM 500 C TYR A 36 -5.610 -4.443 -2.043 1.00 0.00 C ATOM 501 O TYR A 36 -6.420 -3.620 -1.593 1.00 0.00 O ATOM 502 CB TYR A 36 -3.397 -3.169 -2.249 1.00 0.00 C ATOM 503 CG TYR A 36 -2.260 -4.004 -1.681 1.00 0.00 C ATOM 504 CD1 TYR A 36 -2.506 -4.905 -0.632 1.00 0.00 C ATOM 505 CD2 TYR A 36 -0.943 -3.848 -2.159 1.00 0.00 C ATOM 506 CE1 TYR A 36 -1.457 -5.625 -0.045 1.00 0.00 C ATOM 507 CE2 TYR A 36 0.115 -4.582 -1.587 1.00 0.00 C ATOM 508 CZ TYR A 36 -0.143 -5.473 -0.523 1.00 0.00 C ATOM 509 OH TYR A 36 0.854 -6.215 0.027 1.00 0.00 O ATOM 0 H TYR A 36 -5.823 -2.464 -3.558 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.024 -4.819 -3.449 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.976 -2.435 -2.936 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.858 -2.613 -1.432 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.515 -5.044 -0.274 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.744 -3.162 -2.969 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.658 -6.298 0.776 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.121 -4.463 -1.962 1.00 0.00 H new ATOM 0 HH TYR A 36 1.703 -5.997 -0.411 1.00 0.00 H new ATOM 519 N PRO A 37 -5.664 -5.747 -1.710 1.00 0.00 N ATOM 520 CA PRO A 37 -6.675 -6.312 -0.818 1.00 0.00 C ATOM 521 C PRO A 37 -6.607 -5.682 0.585 1.00 0.00 C ATOM 522 O PRO A 37 -5.523 -5.609 1.164 1.00 0.00 O ATOM 523 CB PRO A 37 -6.395 -7.816 -0.768 1.00 0.00 C ATOM 524 CG PRO A 37 -4.935 -7.938 -1.193 1.00 0.00 C ATOM 525 CD PRO A 37 -4.777 -6.798 -2.185 1.00 0.00 C ATOM 0 HA PRO A 37 -7.681 -6.107 -1.184 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.554 -8.218 0.233 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.053 -8.366 -1.440 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.257 -7.834 -0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.726 -8.905 -1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.744 -6.452 -2.225 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.046 -7.114 -3.193 1.00 0.00 H new ATOM 533 N PRO A 38 -7.739 -5.275 1.184 1.00 0.00 N ATOM 534 CA PRO A 38 -7.772 -4.650 2.502 1.00 0.00 C ATOM 535 C PRO A 38 -7.499 -5.628 3.645 1.00 0.00 C ATOM 536 O PRO A 38 -7.188 -5.178 4.745 1.00 0.00 O ATOM 537 CB PRO A 38 -9.144 -3.986 2.597 1.00 0.00 C ATOM 538 CG PRO A 38 -10.020 -4.905 1.750 1.00 0.00 C ATOM 539 CD PRO A 38 -9.074 -5.316 0.624 1.00 0.00 C ATOM 0 HA PRO A 38 -6.969 -3.921 2.610 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.495 -3.928 3.627 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.129 -2.968 2.207 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.373 -5.766 2.318 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.902 -4.389 1.371 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.313 -6.315 0.260 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.161 -4.638 -0.225 1.00 0.00 H new ATOM 547 N GLU A 39 -7.586 -6.941 3.419 1.00 0.00 N ATOM 548 CA GLU A 39 -7.300 -7.924 4.465 1.00 0.00 C ATOM 549 C GLU A 39 -5.807 -7.888 4.827 1.00 0.00 C ATOM 550 O GLU A 39 -5.417 -8.260 5.934 1.00 0.00 O ATOM 551 CB GLU A 39 -7.697 -9.333 4.001 1.00 0.00 C ATOM 552 CG GLU A 39 -7.058 -9.772 2.670 1.00 0.00 C ATOM 553 CD GLU A 39 -7.085 -11.290 2.502 1.00 0.00 C ATOM 554 OE1 GLU A 39 -8.168 -11.840 2.194 1.00 0.00 O ATOM 555 OE2 GLU A 39 -6.043 -11.948 2.710 1.00 0.00 O ATOM 0 H GLU A 39 -7.852 -7.347 2.522 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.886 -7.672 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.420 -10.048 4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.781 -9.376 3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.589 -9.305 1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.027 -9.420 2.628 1.00 0.00 H new ATOM 562 N ASP A 40 -4.980 -7.407 3.893 1.00 0.00 N ATOM 563 CA ASP A 40 -3.538 -7.291 4.005 1.00 0.00 C ATOM 564 C ASP A 40 -3.124 -5.859 4.363 1.00 0.00 C ATOM 565 O ASP A 40 -1.923 -5.583 4.365 1.00 0.00 O ATOM 566 CB ASP A 40 -2.879 -7.683 2.666 1.00 0.00 C ATOM 567 CG ASP A 40 -2.709 -9.171 2.378 1.00 0.00 C ATOM 568 OD1 ASP A 40 -2.562 -9.966 3.331 1.00 0.00 O ATOM 569 OD2 ASP A 40 -2.538 -9.506 1.180 1.00 0.00 O ATOM 0 H ASP A 40 -5.326 -7.073 2.994 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.207 -7.961 4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.470 -7.249 1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.894 -7.217 2.626 1.00 0.00 H new ATOM 574 N ILE A 41 -4.051 -4.945 4.684 1.00 0.00 N ATOM 575 CA ILE A 41 -3.724 -3.548 5.020 1.00 0.00 C ATOM 576 C ILE A 41 -2.649 -3.437 6.103 1.00 0.00 C ATOM 577 O ILE A 41 -1.797 -2.547 6.064 1.00 0.00 O ATOM 578 CB ILE A 41 -5.001 -2.752 5.362 1.00 0.00 C ATOM 579 CG1 ILE A 41 -4.675 -1.242 5.368 1.00 0.00 C ATOM 580 CG2 ILE A 41 -5.644 -3.221 6.684 1.00 0.00 C ATOM 581 CD1 ILE A 41 -5.893 -0.351 5.604 1.00 0.00 C ATOM 0 H ILE A 41 -5.049 -5.152 4.719 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.285 -3.093 4.132 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.750 -2.942 4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.935 -1.042 6.143 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.219 -0.974 4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.539 -2.632 6.882 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.913 -4.274 6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.934 -3.089 7.501 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.586 0.695 5.595 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.626 -0.521 4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.337 -0.590 6.570 1.00 0.00 H new ATOM 593 N PHE A 42 -2.647 -4.381 7.040 1.00 0.00 N ATOM 594 CA PHE A 42 -1.697 -4.435 8.133 1.00 0.00 C ATOM 595 C PHE A 42 -0.255 -4.574 7.634 1.00 0.00 C ATOM 596 O PHE A 42 0.662 -4.275 8.394 1.00 0.00 O ATOM 597 CB PHE A 42 -2.103 -5.578 9.069 1.00 0.00 C ATOM 598 CG PHE A 42 -3.561 -5.523 9.484 1.00 0.00 C ATOM 599 CD1 PHE A 42 -3.997 -4.514 10.362 1.00 0.00 C ATOM 600 CD2 PHE A 42 -4.489 -6.448 8.970 1.00 0.00 C ATOM 601 CE1 PHE A 42 -5.354 -4.421 10.719 1.00 0.00 C ATOM 602 CE2 PHE A 42 -5.845 -6.356 9.330 1.00 0.00 C ATOM 603 CZ PHE A 42 -6.279 -5.341 10.200 1.00 0.00 C ATOM 0 H PHE A 42 -3.324 -5.144 7.056 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.721 -3.495 8.684 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.909 -6.530 8.575 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.477 -5.548 9.961 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.286 -3.807 10.764 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.160 -7.228 8.299 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.684 -3.643 11.391 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.556 -7.068 8.937 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.322 -5.269 10.469 1.00 0.00 H new ATOM 613 N ASN A 43 -0.039 -5.014 6.387 1.00 0.00 N ATOM 614 CA ASN A 43 1.278 -5.177 5.780 1.00 0.00 C ATOM 615 C ASN A 43 1.673 -3.917 5.027 1.00 0.00 C ATOM 616 O ASN A 43 2.863 -3.681 4.833 1.00 0.00 O ATOM 617 CB ASN A 43 1.295 -6.303 4.742 1.00 0.00 C ATOM 618 CG ASN A 43 0.866 -7.638 5.314 1.00 0.00 C ATOM 619 OD1 ASN A 43 1.673 -8.400 5.837 1.00 0.00 O ATOM 620 ND2 ASN A 43 -0.417 -7.917 5.247 1.00 0.00 N ATOM 0 H ASN A 43 -0.801 -5.272 5.760 1.00 0.00 H new ATOM 0 HA ASN A 43 1.962 -5.399 6.599 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.635 -6.039 3.916 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.300 -6.396 4.330 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.770 -8.791 5.637 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.059 -7.260 4.805 1.00 0.00 H new ATOM 627 N LEU A 44 0.704 -3.141 4.531 1.00 0.00 N ATOM 628 CA LEU A 44 0.993 -1.911 3.804 1.00 0.00 C ATOM 629 C LEU A 44 1.583 -0.886 4.759 1.00 0.00 C ATOM 630 O LEU A 44 2.464 -0.118 4.382 1.00 0.00 O ATOM 631 CB LEU A 44 -0.278 -1.335 3.162 1.00 0.00 C ATOM 632 CG LEU A 44 -0.707 -1.995 1.843 1.00 0.00 C ATOM 633 CD1 LEU A 44 -1.945 -1.255 1.326 1.00 0.00 C ATOM 634 CD2 LEU A 44 0.393 -1.930 0.785 1.00 0.00 C ATOM 0 H LEU A 44 -0.290 -3.348 4.623 1.00 0.00 H new ATOM 0 HA LEU A 44 1.705 -2.141 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.097 -1.423 3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.124 -0.271 2.983 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.918 -3.048 2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.272 -1.704 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.746 -1.328 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.699 -0.206 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.046 -2.409 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.639 -0.888 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.280 -2.447 1.150 1.00 0.00 H new ATOM 646 N VAL A 45 1.088 -0.842 5.993 1.00 0.00 N ATOM 647 CA VAL A 45 1.592 0.098 6.981 1.00 0.00 C ATOM 648 C VAL A 45 3.091 -0.169 7.168 1.00 0.00 C ATOM 649 O VAL A 45 3.552 -1.312 7.169 1.00 0.00 O ATOM 650 CB VAL A 45 0.726 0.032 8.251 1.00 0.00 C ATOM 651 CG1 VAL A 45 1.321 0.832 9.414 1.00 0.00 C ATOM 652 CG2 VAL A 45 -0.656 0.603 7.914 1.00 0.00 C ATOM 0 H VAL A 45 0.339 -1.447 6.329 1.00 0.00 H new ATOM 0 HA VAL A 45 1.511 1.136 6.659 1.00 0.00 H new ATOM 0 HB VAL A 45 0.671 -1.009 8.569 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.669 0.750 10.283 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.306 0.437 9.661 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.412 1.879 9.126 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.290 0.567 8.800 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.552 1.636 7.584 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.110 0.012 7.119 1.00 0.00 H new ATOM 662 N GLY A 46 3.871 0.905 7.251 1.00 0.00 N ATOM 663 CA GLY A 46 5.310 0.843 7.411 1.00 0.00 C ATOM 664 C GLY A 46 6.055 0.815 6.075 1.00 0.00 C ATOM 665 O GLY A 46 7.274 1.013 6.084 1.00 0.00 O ATOM 0 H GLY A 46 3.508 1.857 7.208 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.644 1.704 7.990 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.569 -0.047 7.985 1.00 0.00 H new ATOM 669 N LYS A 47 5.395 0.566 4.933 1.00 0.00 N ATOM 670 CA LYS A 47 6.092 0.563 3.641 1.00 0.00 C ATOM 671 C LYS A 47 6.375 2.006 3.231 1.00 0.00 C ATOM 672 O LYS A 47 5.843 2.937 3.846 1.00 0.00 O ATOM 673 CB LYS A 47 5.279 -0.148 2.547 1.00 0.00 C ATOM 674 CG LYS A 47 5.051 -1.623 2.878 1.00 0.00 C ATOM 675 CD LYS A 47 4.553 -2.415 1.668 1.00 0.00 C ATOM 676 CE LYS A 47 4.453 -3.897 2.039 1.00 0.00 C ATOM 677 NZ LYS A 47 5.729 -4.611 1.834 1.00 0.00 N ATOM 0 H LYS A 47 4.396 0.367 4.879 1.00 0.00 H new ATOM 0 HA LYS A 47 7.025 0.010 3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.317 0.351 2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.802 -0.066 1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.982 -2.061 3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.325 -1.704 3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.580 -2.041 1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.235 -2.284 0.828 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.151 -3.989 3.082 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.675 -4.368 1.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.614 -5.610 2.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.006 -4.547 0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.467 -4.179 2.426 1.00 0.00 H new ATOM 691 N LYS A 48 7.236 2.198 2.228 1.00 0.00 N ATOM 692 CA LYS A 48 7.606 3.509 1.704 1.00 0.00 C ATOM 693 C LYS A 48 7.206 3.530 0.237 1.00 0.00 C ATOM 694 O LYS A 48 7.516 2.575 -0.476 1.00 0.00 O ATOM 695 CB LYS A 48 9.111 3.758 1.890 1.00 0.00 C ATOM 696 CG LYS A 48 9.448 5.226 1.596 1.00 0.00 C ATOM 697 CD LYS A 48 10.939 5.590 1.603 1.00 0.00 C ATOM 698 CE LYS A 48 11.723 5.310 2.881 1.00 0.00 C ATOM 699 NZ LYS A 48 12.175 3.911 3.013 1.00 0.00 N ATOM 0 H LYS A 48 7.703 1.428 1.750 1.00 0.00 H new ATOM 0 HA LYS A 48 7.094 4.308 2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.405 3.507 2.909 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.679 3.107 1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.036 5.484 0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.939 5.849 2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.421 5.052 0.787 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.027 6.653 1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.592 5.967 2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.101 5.563 3.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.896 3.542 3.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.738 3.333 2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.210 3.870 2.921 1.00 0.00 H new ATOM 713 N VAL A 49 6.533 4.584 -0.222 1.00 0.00 N ATOM 714 CA VAL A 49 6.120 4.674 -1.620 1.00 0.00 C ATOM 715 C VAL A 49 7.285 5.002 -2.553 1.00 0.00 C ATOM 716 O VAL A 49 8.285 5.602 -2.138 1.00 0.00 O ATOM 717 CB VAL A 49 5.004 5.720 -1.810 1.00 0.00 C ATOM 718 CG1 VAL A 49 3.646 5.120 -1.531 1.00 0.00 C ATOM 719 CG2 VAL A 49 5.134 6.975 -0.951 1.00 0.00 C ATOM 0 H VAL A 49 6.264 5.384 0.351 1.00 0.00 H new ATOM 0 HA VAL A 49 5.739 3.688 -1.885 1.00 0.00 H new ATOM 0 HB VAL A 49 5.111 6.023 -2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.877 5.879 -1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.467 4.290 -2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.613 4.757 -0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.301 7.646 -1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.121 6.697 0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.073 7.479 -1.182 1.00 0.00 H new ATOM 729 N LEU A 50 7.105 4.638 -3.824 1.00 0.00 N ATOM 730 CA LEU A 50 8.031 4.854 -4.931 1.00 0.00 C ATOM 731 C LEU A 50 7.599 6.062 -5.762 1.00 0.00 C ATOM 732 O LEU A 50 8.429 6.612 -6.475 1.00 0.00 O ATOM 733 CB LEU A 50 8.068 3.619 -5.851 1.00 0.00 C ATOM 734 CG LEU A 50 8.904 2.456 -5.295 1.00 0.00 C ATOM 735 CD1 LEU A 50 8.643 1.196 -6.120 1.00 0.00 C ATOM 736 CD2 LEU A 50 10.406 2.774 -5.346 1.00 0.00 C ATOM 0 H LEU A 50 6.257 4.156 -4.123 1.00 0.00 H new ATOM 0 HA LEU A 50 9.020 5.031 -4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.048 3.273 -6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.470 3.912 -6.821 1.00 0.00 H new ATOM 0 HG LEU A 50 8.612 2.301 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.237 0.372 -5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.585 0.939 -6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.921 1.377 -7.158 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.970 1.932 -4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.705 2.953 -6.379 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.610 3.663 -4.750 1.00 0.00 H new ATOM 748 N VAL A 51 6.337 6.497 -5.666 1.00 0.00 N ATOM 749 CA VAL A 51 5.805 7.637 -6.402 1.00 0.00 C ATOM 750 C VAL A 51 4.831 8.413 -5.507 1.00 0.00 C ATOM 751 O VAL A 51 4.301 7.873 -4.534 1.00 0.00 O ATOM 752 CB VAL A 51 5.129 7.174 -7.716 1.00 0.00 C ATOM 753 CG1 VAL A 51 6.113 6.496 -8.684 1.00 0.00 C ATOM 754 CG2 VAL A 51 3.948 6.220 -7.486 1.00 0.00 C ATOM 0 H VAL A 51 5.647 6.053 -5.060 1.00 0.00 H new ATOM 0 HA VAL A 51 6.622 8.302 -6.680 1.00 0.00 H new ATOM 0 HB VAL A 51 4.758 8.097 -8.162 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.584 6.192 -9.587 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.906 7.196 -8.946 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.547 5.618 -8.206 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.519 5.934 -8.446 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.296 5.329 -6.964 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.189 6.719 -6.884 1.00 0.00 H new ATOM 764 N THR A 52 4.600 9.679 -5.841 1.00 0.00 N ATOM 765 CA THR A 52 3.702 10.597 -5.148 1.00 0.00 C ATOM 766 C THR A 52 2.245 10.199 -5.426 1.00 0.00 C ATOM 767 O THR A 52 1.703 10.498 -6.495 1.00 0.00 O ATOM 768 CB THR A 52 4.016 12.030 -5.615 1.00 0.00 C ATOM 769 OG1 THR A 52 5.386 12.295 -5.389 1.00 0.00 O ATOM 770 CG2 THR A 52 3.228 13.129 -4.888 1.00 0.00 C ATOM 0 H THR A 52 5.057 10.114 -6.642 1.00 0.00 H new ATOM 0 HA THR A 52 3.848 10.549 -4.069 1.00 0.00 H new ATOM 0 HB THR A 52 3.733 12.061 -6.667 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.596 13.205 -5.685 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.515 14.104 -5.283 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.160 12.974 -5.043 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.449 13.090 -3.821 1.00 0.00 H new ATOM 778 N VAL A 53 1.622 9.494 -4.485 1.00 0.00 N ATOM 779 CA VAL A 53 0.237 9.056 -4.596 1.00 0.00 C ATOM 780 C VAL A 53 -0.656 10.264 -4.260 1.00 0.00 C ATOM 781 O VAL A 53 -0.238 11.183 -3.549 1.00 0.00 O ATOM 782 CB VAL A 53 0.007 7.844 -3.668 1.00 0.00 C ATOM 783 CG1 VAL A 53 -1.410 7.274 -3.782 1.00 0.00 C ATOM 784 CG2 VAL A 53 0.936 6.665 -3.992 1.00 0.00 C ATOM 0 H VAL A 53 2.071 9.209 -3.615 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.012 8.719 -5.602 1.00 0.00 H new ATOM 0 HB VAL A 53 0.199 8.243 -2.672 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.516 6.424 -3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.134 8.043 -3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.590 6.949 -4.807 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.730 5.841 -3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.764 6.337 -5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.974 6.978 -3.880 1.00 0.00 H new ATOM 794 N GLU A 54 -1.864 10.317 -4.809 1.00 0.00 N ATOM 795 CA GLU A 54 -2.855 11.367 -4.604 1.00 0.00 C ATOM 796 C GLU A 54 -3.920 10.916 -3.601 1.00 0.00 C ATOM 797 O GLU A 54 -3.967 9.753 -3.203 1.00 0.00 O ATOM 798 CB GLU A 54 -3.557 11.626 -5.948 1.00 0.00 C ATOM 799 CG GLU A 54 -3.011 12.837 -6.695 1.00 0.00 C ATOM 800 CD GLU A 54 -4.022 13.234 -7.766 1.00 0.00 C ATOM 801 OE1 GLU A 54 -4.029 12.578 -8.831 1.00 0.00 O ATOM 802 OE2 GLU A 54 -4.886 14.102 -7.493 1.00 0.00 O ATOM 0 H GLU A 54 -2.196 9.590 -5.443 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.357 12.259 -4.225 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.454 10.743 -6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.623 11.769 -5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.843 13.665 -6.006 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.049 12.601 -7.150 1.00 0.00 H new ATOM 809 N GLU A 55 -4.766 11.838 -3.150 1.00 0.00 N ATOM 810 CA GLU A 55 -5.866 11.518 -2.249 1.00 0.00 C ATOM 811 C GLU A 55 -6.868 10.698 -3.078 1.00 0.00 C ATOM 812 O GLU A 55 -7.123 11.030 -4.244 1.00 0.00 O ATOM 813 CB GLU A 55 -6.499 12.829 -1.761 1.00 0.00 C ATOM 814 CG GLU A 55 -7.813 12.656 -0.977 1.00 0.00 C ATOM 815 CD GLU A 55 -8.550 13.975 -0.719 1.00 0.00 C ATOM 816 OE1 GLU A 55 -8.098 15.060 -1.158 1.00 0.00 O ATOM 817 OE2 GLU A 55 -9.622 13.938 -0.078 1.00 0.00 O ATOM 0 H GLU A 55 -4.708 12.825 -3.399 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.543 10.955 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.780 13.350 -1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.688 13.469 -2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.470 11.984 -1.529 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.597 12.177 -0.022 1.00 0.00 H new ATOM 824 N ASP A 56 -7.476 9.682 -2.460 1.00 0.00 N ATOM 825 CA ASP A 56 -8.465 8.742 -3.012 1.00 0.00 C ATOM 826 C ASP A 56 -7.865 7.825 -4.084 1.00 0.00 C ATOM 827 O ASP A 56 -8.569 6.987 -4.651 1.00 0.00 O ATOM 828 CB ASP A 56 -9.747 9.454 -3.516 1.00 0.00 C ATOM 829 CG ASP A 56 -10.765 9.734 -2.421 1.00 0.00 C ATOM 830 OD1 ASP A 56 -11.069 8.802 -1.642 1.00 0.00 O ATOM 831 OD2 ASP A 56 -11.327 10.853 -2.408 1.00 0.00 O ATOM 0 H ASP A 56 -7.276 9.476 -1.481 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.767 8.103 -2.182 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.467 10.396 -3.988 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.214 8.839 -4.285 1.00 0.00 H new ATOM 836 N ASP A 57 -6.568 7.961 -4.362 1.00 0.00 N ATOM 837 CA ASP A 57 -5.860 7.175 -5.361 1.00 0.00 C ATOM 838 C ASP A 57 -5.736 5.726 -4.892 1.00 0.00 C ATOM 839 O ASP A 57 -5.669 5.445 -3.692 1.00 0.00 O ATOM 840 CB ASP A 57 -4.500 7.794 -5.649 1.00 0.00 C ATOM 841 CG ASP A 57 -4.119 7.603 -7.102 1.00 0.00 C ATOM 842 OD1 ASP A 57 -3.593 6.529 -7.458 1.00 0.00 O ATOM 843 OD2 ASP A 57 -4.398 8.520 -7.905 1.00 0.00 O ATOM 0 H ASP A 57 -5.971 8.637 -3.886 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.426 7.177 -6.293 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.522 8.857 -5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.745 7.339 -5.008 1.00 0.00 H new ATOM 848 N THR A 58 -5.711 4.796 -5.837 1.00 0.00 N ATOM 849 CA THR A 58 -5.641 3.375 -5.576 1.00 0.00 C ATOM 850 C THR A 58 -4.193 2.925 -5.388 1.00 0.00 C ATOM 851 O THR A 58 -3.314 3.163 -6.222 1.00 0.00 O ATOM 852 CB THR A 58 -6.410 2.641 -6.684 1.00 0.00 C ATOM 853 OG1 THR A 58 -7.769 3.058 -6.696 1.00 0.00 O ATOM 854 CG2 THR A 58 -6.416 1.144 -6.424 1.00 0.00 C ATOM 0 H THR A 58 -5.740 5.021 -6.831 1.00 0.00 H new ATOM 0 HA THR A 58 -6.124 3.121 -4.632 1.00 0.00 H new ATOM 0 HB THR A 58 -5.919 2.870 -7.630 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.250 2.585 -7.407 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.965 0.639 -7.219 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.391 0.775 -6.400 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.896 0.943 -5.466 1.00 0.00 H new ATOM 862 N ILE A 59 -3.942 2.293 -4.244 1.00 0.00 N ATOM 863 CA ILE A 59 -2.637 1.788 -3.859 1.00 0.00 C ATOM 864 C ILE A 59 -2.432 0.426 -4.533 1.00 0.00 C ATOM 865 O ILE A 59 -3.376 -0.357 -4.641 1.00 0.00 O ATOM 866 CB ILE A 59 -2.613 1.675 -2.311 1.00 0.00 C ATOM 867 CG1 ILE A 59 -2.864 3.032 -1.602 1.00 0.00 C ATOM 868 CG2 ILE A 59 -1.330 1.017 -1.774 1.00 0.00 C ATOM 869 CD1 ILE A 59 -1.699 4.010 -1.651 1.00 0.00 C ATOM 0 H ILE A 59 -4.663 2.116 -3.544 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.829 2.448 -4.174 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.446 1.015 -2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.735 3.505 -2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.113 2.839 -0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.374 0.967 -0.686 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.241 0.009 -2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.465 1.608 -2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.972 4.927 -1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.829 3.564 -1.170 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.461 4.241 -2.689 1.00 0.00 H new ATOM 881 N MET A 60 -1.207 0.142 -4.985 1.00 0.00 N ATOM 882 CA MET A 60 -0.822 -1.109 -5.634 1.00 0.00 C ATOM 883 C MET A 60 0.585 -1.467 -5.170 1.00 0.00 C ATOM 884 O MET A 60 1.364 -0.593 -4.772 1.00 0.00 O ATOM 885 CB MET A 60 -0.873 -1.022 -7.168 1.00 0.00 C ATOM 886 CG MET A 60 -2.225 -0.537 -7.684 1.00 0.00 C ATOM 887 SD MET A 60 -2.622 -0.958 -9.400 1.00 0.00 S ATOM 888 CE MET A 60 -3.204 -2.658 -9.182 1.00 0.00 C ATOM 0 H MET A 60 -0.432 0.800 -4.905 1.00 0.00 H new ATOM 0 HA MET A 60 -1.536 -1.882 -5.350 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.092 -0.346 -7.516 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.657 -2.003 -7.591 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.004 -0.947 -7.041 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.263 0.547 -7.579 1.00 0.00 H new ATOM 0 HE1 MET A 60 -3.204 -3.169 -10.145 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.543 -3.183 -8.492 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.216 -2.647 -8.778 1.00 0.00 H new ATOM 898 N GLU A 61 0.929 -2.750 -5.212 1.00 0.00 N ATOM 899 CA GLU A 61 2.224 -3.273 -4.790 1.00 0.00 C ATOM 900 C GLU A 61 3.378 -2.698 -5.608 1.00 0.00 C ATOM 901 O GLU A 61 4.438 -2.416 -5.055 1.00 0.00 O ATOM 902 CB GLU A 61 2.176 -4.801 -4.876 1.00 0.00 C ATOM 903 CG GLU A 61 3.363 -5.455 -4.179 1.00 0.00 C ATOM 904 CD GLU A 61 3.239 -6.976 -4.181 1.00 0.00 C ATOM 905 OE1 GLU A 61 2.272 -7.501 -3.561 1.00 0.00 O ATOM 906 OE2 GLU A 61 4.139 -7.624 -4.759 1.00 0.00 O ATOM 0 H GLU A 61 0.297 -3.475 -5.550 1.00 0.00 H new ATOM 0 HA GLU A 61 2.414 -2.966 -3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.250 -5.159 -4.426 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.160 -5.104 -5.923 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.287 -5.163 -4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.428 -5.095 -3.152 1.00 0.00 H new ATOM 913 N GLU A 62 3.169 -2.438 -6.899 1.00 0.00 N ATOM 914 CA GLU A 62 4.224 -1.897 -7.754 1.00 0.00 C ATOM 915 C GLU A 62 4.601 -0.442 -7.425 1.00 0.00 C ATOM 916 O GLU A 62 5.493 0.119 -8.062 1.00 0.00 O ATOM 917 CB GLU A 62 3.816 -2.054 -9.226 1.00 0.00 C ATOM 918 CG GLU A 62 2.726 -1.081 -9.695 1.00 0.00 C ATOM 919 CD GLU A 62 2.544 -1.196 -11.207 1.00 0.00 C ATOM 920 OE1 GLU A 62 1.887 -2.163 -11.670 1.00 0.00 O ATOM 921 OE2 GLU A 62 3.185 -0.416 -11.942 1.00 0.00 O ATOM 0 H GLU A 62 2.280 -2.593 -7.374 1.00 0.00 H new ATOM 0 HA GLU A 62 5.128 -2.474 -7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.699 -1.918 -9.850 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.467 -3.074 -9.386 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.786 -1.302 -9.189 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.999 -0.060 -9.429 1.00 0.00 H new ATOM 928 N LEU A 63 3.914 0.186 -6.466 1.00 0.00 N ATOM 929 CA LEU A 63 4.117 1.565 -6.038 1.00 0.00 C ATOM 930 C LEU A 63 4.839 1.669 -4.691 1.00 0.00 C ATOM 931 O LEU A 63 4.944 2.785 -4.174 1.00 0.00 O ATOM 932 CB LEU A 63 2.749 2.268 -5.926 1.00 0.00 C ATOM 933 CG LEU A 63 1.822 2.187 -7.157 1.00 0.00 C ATOM 934 CD1 LEU A 63 0.478 2.859 -6.842 1.00 0.00 C ATOM 935 CD2 LEU A 63 2.421 2.860 -8.389 1.00 0.00 C ATOM 0 H LEU A 63 3.169 -0.278 -5.946 1.00 0.00 H new ATOM 0 HA LEU A 63 4.748 2.045 -6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.219 1.845 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.925 3.320 -5.702 1.00 0.00 H new ATOM 0 HG LEU A 63 1.688 1.128 -7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.172 2.799 -7.715 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.005 2.351 -6.001 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.645 3.905 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.727 2.773 -9.225 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.602 3.914 -8.176 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.362 2.375 -8.647 1.00 0.00 H new ATOM 947 N VAL A 64 5.314 0.569 -4.093 1.00 0.00 N ATOM 948 CA VAL A 64 5.999 0.595 -2.795 1.00 0.00 C ATOM 949 C VAL A 64 7.384 -0.051 -2.863 1.00 0.00 C ATOM 950 O VAL A 64 7.657 -0.857 -3.749 1.00 0.00 O ATOM 951 CB VAL A 64 5.093 -0.005 -1.695 1.00 0.00 C ATOM 952 CG1 VAL A 64 3.814 0.823 -1.519 1.00 0.00 C ATOM 953 CG2 VAL A 64 4.651 -1.452 -1.941 1.00 0.00 C ATOM 0 H VAL A 64 5.234 -0.365 -4.496 1.00 0.00 H new ATOM 0 HA VAL A 64 6.184 1.634 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 64 5.723 0.014 -0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.196 0.377 -0.739 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.077 1.842 -1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.259 0.839 -2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.020 -1.785 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.089 -1.507 -2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.529 -2.094 -2.008 1.00 0.00 H new ATOM 963 N ASP A 65 8.245 0.262 -1.892 1.00 0.00 N ATOM 964 CA ASP A 65 9.624 -0.211 -1.748 1.00 0.00 C ATOM 965 C ASP A 65 9.826 -0.865 -0.372 1.00 0.00 C ATOM 966 O ASP A 65 8.937 -0.870 0.490 1.00 0.00 O ATOM 967 CB ASP A 65 10.578 0.990 -1.937 1.00 0.00 C ATOM 968 CG ASP A 65 12.067 0.636 -2.080 1.00 0.00 C ATOM 969 OD1 ASP A 65 12.407 -0.532 -2.369 1.00 0.00 O ATOM 970 OD2 ASP A 65 12.913 1.547 -1.902 1.00 0.00 O ATOM 0 H ASP A 65 7.980 0.894 -1.136 1.00 0.00 H new ATOM 0 HA ASP A 65 9.840 -0.966 -2.504 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.267 1.543 -2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.462 1.661 -1.086 1.00 0.00 H new