USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 667 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 96 LYS NZ :NH3+ 157:sc= -0.114 (180deg=-0.579) USER MOD Set 1.2: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.304 X(o=-0.3,f=0) USER MOD Single : A 21 GLN :FLIP amide:sc= -1.79 F(o=-4,f=-1.8) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : A 40 TYR OH : rot -120:sc= -1.49 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -138:sc= -1.25 (180deg=-4.73!) USER MOD Single : A 60 LYS NZ :NH3+ -162:sc= -0.0593 (180deg=-0.417) USER MOD Single : A 61 SER OG : rot 87:sc= 1.22 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -135:sc= 0 (180deg=-2.18!) USER MOD Single : A 70 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.49) USER MOD Single : A 71 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.84) USER MOD Single : A 77 THR OG1 : rot 90:sc= 0.0566 USER MOD Single : A 79 GLN :FLIP amide:sc= -6.52! C(o=-7.1!,f=-6.5!) USER MOD Single : A 80 THR OG1 : rot -8:sc= 0.361 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN :FLIP amide:sc= -2.11 F(o=-7!,f=-2.1) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.272 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -1.11 K(o=-1.1,f=-4.5!) USER MOD Single : A 95 SER OG : rot -37:sc= 0.0601 USER MOD ----------------------------------------------------------------- ATOM 103 N GLY A 9 6.609 -1.002 10.698 1.00 1.01 N ATOM 104 CA GLY A 9 5.288 -1.490 10.346 1.00 1.09 C ATOM 105 C GLY A 9 4.321 -0.364 10.033 1.00 1.08 C ATOM 106 O GLY A 9 3.308 -0.573 9.366 1.00 1.26 O ATOM 0 HA2 GLY A 9 5.366 -2.150 9.482 1.00 1.09 H new ATOM 0 HA3 GLY A 9 4.893 -2.087 11.168 1.00 1.09 H new ATOM 110 N LYS A 10 4.639 0.832 10.518 1.00 1.12 N ATOM 111 CA LYS A 10 3.797 2.008 10.303 1.00 1.33 C ATOM 112 C LYS A 10 3.627 2.336 8.812 1.00 1.14 C ATOM 113 O LYS A 10 2.504 2.545 8.355 1.00 1.22 O ATOM 114 CB LYS A 10 4.381 3.217 11.042 1.00 1.68 C ATOM 115 CG LYS A 10 3.603 4.507 10.825 1.00 2.23 C ATOM 116 CD LYS A 10 2.220 4.455 11.462 1.00 3.07 C ATOM 117 CE LYS A 10 2.301 4.363 12.978 1.00 3.89 C ATOM 118 NZ LYS A 10 0.971 4.557 13.620 1.00 4.57 N ATOM 0 H LYS A 10 5.479 1.015 11.067 1.00 1.12 H new ATOM 0 HA LYS A 10 2.809 1.777 10.702 1.00 1.33 H new ATOM 0 HB2 LYS A 10 4.412 2.998 12.109 1.00 1.68 H new ATOM 0 HB3 LYS A 10 5.411 3.366 10.717 1.00 1.68 H new ATOM 0 HG2 LYS A 10 4.163 5.343 11.244 1.00 2.23 H new ATOM 0 HG3 LYS A 10 3.503 4.694 9.756 1.00 2.23 H new ATOM 0 HD2 LYS A 10 1.657 5.345 11.181 1.00 3.07 H new ATOM 0 HD3 LYS A 10 1.673 3.596 11.074 1.00 3.07 H new ATOM 0 HE2 LYS A 10 2.702 3.390 13.261 1.00 3.89 H new ATOM 0 HE3 LYS A 10 2.997 5.115 13.350 1.00 3.89 H new ATOM 0 HZ1 LYS A 10 1.071 4.487 14.653 1.00 4.57 H new ATOM 0 HZ2 LYS A 10 0.599 5.496 13.371 1.00 4.57 H new ATOM 0 HZ3 LYS A 10 0.314 3.824 13.285 1.00 4.57 H new ATOM 132 N PRO A 11 4.726 2.384 8.025 1.00 1.03 N ATOM 133 CA PRO A 11 4.649 2.708 6.594 1.00 1.05 C ATOM 134 C PRO A 11 3.947 1.626 5.786 1.00 0.77 C ATOM 135 O PRO A 11 2.950 1.889 5.114 1.00 0.72 O ATOM 136 CB PRO A 11 6.116 2.816 6.171 1.00 1.20 C ATOM 137 CG PRO A 11 6.842 1.955 7.139 1.00 1.49 C ATOM 138 CD PRO A 11 6.117 2.117 8.446 1.00 1.15 C ATOM 0 HA PRO A 11 4.070 3.615 6.418 1.00 1.05 H new ATOM 0 HB2 PRO A 11 6.261 2.472 5.147 1.00 1.20 H new ATOM 0 HB3 PRO A 11 6.467 3.847 6.214 1.00 1.20 H new ATOM 0 HG2 PRO A 11 6.840 0.914 6.816 1.00 1.49 H new ATOM 0 HG3 PRO A 11 7.885 2.259 7.229 1.00 1.49 H new ATOM 0 HD2 PRO A 11 6.187 1.219 9.060 1.00 1.15 H new ATOM 0 HD3 PRO A 11 6.525 2.939 9.035 1.00 1.15 H new ATOM 146 N LEU A 12 4.477 0.408 5.854 1.00 0.70 N ATOM 147 CA LEU A 12 3.913 -0.724 5.126 1.00 0.57 C ATOM 148 C LEU A 12 2.408 -0.826 5.354 1.00 0.48 C ATOM 149 O LEU A 12 1.665 -1.264 4.475 1.00 0.53 O ATOM 150 CB LEU A 12 4.598 -2.021 5.563 1.00 0.61 C ATOM 151 CG LEU A 12 4.955 -2.992 4.432 1.00 0.58 C ATOM 152 CD1 LEU A 12 3.713 -3.420 3.671 1.00 1.01 C ATOM 153 CD2 LEU A 12 5.970 -2.366 3.487 1.00 0.91 C ATOM 0 H LEU A 12 5.301 0.179 6.409 1.00 0.70 H new ATOM 0 HA LEU A 12 4.087 -0.566 4.062 1.00 0.57 H new ATOM 0 HB2 LEU A 12 5.511 -1.766 6.101 1.00 0.61 H new ATOM 0 HB3 LEU A 12 3.946 -2.536 6.268 1.00 0.61 H new ATOM 0 HG LEU A 12 5.402 -3.880 4.879 1.00 0.58 H new ATOM 0 HD11 LEU A 12 3.994 -4.109 2.874 1.00 1.01 H new ATOM 0 HD12 LEU A 12 3.022 -3.916 4.352 1.00 1.01 H new ATOM 0 HD13 LEU A 12 3.230 -2.543 3.239 1.00 1.01 H new ATOM 0 HD21 LEU A 12 6.210 -3.071 2.691 1.00 0.91 H new ATOM 0 HD22 LEU A 12 5.551 -1.458 3.053 1.00 0.91 H new ATOM 0 HD23 LEU A 12 6.877 -2.119 4.039 1.00 0.91 H new ATOM 165 N SER A 13 1.966 -0.413 6.535 1.00 0.52 N ATOM 166 CA SER A 13 0.549 -0.461 6.881 1.00 0.61 C ATOM 167 C SER A 13 -0.231 0.632 6.156 1.00 0.58 C ATOM 168 O SER A 13 -1.350 0.405 5.695 1.00 0.69 O ATOM 169 CB SER A 13 0.370 -0.318 8.392 1.00 0.78 C ATOM 170 OG SER A 13 -1.002 -0.291 8.743 1.00 1.39 O ATOM 0 H SER A 13 2.567 -0.041 7.270 1.00 0.52 H new ATOM 0 HA SER A 13 0.156 -1.427 6.564 1.00 0.61 H new ATOM 0 HB2 SER A 13 0.862 -1.148 8.900 1.00 0.78 H new ATOM 0 HB3 SER A 13 0.854 0.597 8.734 1.00 0.78 H new ATOM 0 HG SER A 13 -1.089 -0.200 9.715 1.00 1.39 H new ATOM 176 N GLY A 14 0.366 1.815 6.061 1.00 0.56 N ATOM 177 CA GLY A 14 -0.288 2.925 5.392 1.00 0.59 C ATOM 178 C GLY A 14 0.352 3.256 4.059 1.00 0.55 C ATOM 179 O GLY A 14 0.301 4.400 3.606 1.00 0.58 O ATOM 0 H GLY A 14 1.291 2.025 6.435 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -1.339 2.683 5.237 1.00 0.59 H new ATOM 0 HA3 GLY A 14 -0.255 3.804 6.036 1.00 0.59 H new ATOM 183 N LEU A 15 0.954 2.252 3.429 1.00 0.52 N ATOM 184 CA LEU A 15 1.609 2.438 2.140 1.00 0.52 C ATOM 185 C LEU A 15 0.584 2.695 1.045 1.00 0.46 C ATOM 186 O LEU A 15 0.592 3.748 0.413 1.00 0.47 O ATOM 187 CB LEU A 15 2.445 1.207 1.788 1.00 0.57 C ATOM 188 CG LEU A 15 3.905 1.486 1.414 1.00 0.69 C ATOM 189 CD1 LEU A 15 3.991 2.497 0.279 1.00 0.97 C ATOM 190 CD2 LEU A 15 4.687 1.973 2.624 1.00 1.10 C ATOM 0 H LEU A 15 1.001 1.300 3.792 1.00 0.52 H new ATOM 0 HA LEU A 15 2.264 3.306 2.215 1.00 0.52 H new ATOM 0 HB2 LEU A 15 2.430 0.524 2.637 1.00 0.57 H new ATOM 0 HB3 LEU A 15 1.967 0.691 0.955 1.00 0.57 H new ATOM 0 HG LEU A 15 4.350 0.552 1.071 1.00 0.69 H new ATOM 0 HD11 LEU A 15 5.037 2.678 0.032 1.00 0.97 H new ATOM 0 HD12 LEU A 15 3.474 2.106 -0.597 1.00 0.97 H new ATOM 0 HD13 LEU A 15 3.524 3.432 0.588 1.00 0.97 H new ATOM 0 HD21 LEU A 15 5.721 2.165 2.336 1.00 1.10 H new ATOM 0 HD22 LEU A 15 4.239 2.892 3.001 1.00 1.10 H new ATOM 0 HD23 LEU A 15 4.663 1.211 3.403 1.00 1.10 H new ATOM 202 N LEU A 16 -0.302 1.724 0.828 1.00 0.45 N ATOM 203 CA LEU A 16 -1.337 1.851 -0.192 1.00 0.42 C ATOM 204 C LEU A 16 -2.141 3.127 0.031 1.00 0.40 C ATOM 205 O LEU A 16 -2.788 3.639 -0.883 1.00 0.41 O ATOM 206 CB LEU A 16 -2.269 0.630 -0.177 1.00 0.47 C ATOM 207 CG LEU A 16 -1.587 -0.746 -0.243 1.00 0.53 C ATOM 208 CD1 LEU A 16 -0.360 -0.711 -1.148 1.00 0.86 C ATOM 209 CD2 LEU A 16 -1.211 -1.229 1.150 1.00 0.92 C ATOM 0 H LEU A 16 -0.323 0.844 1.344 1.00 0.45 H new ATOM 0 HA LEU A 16 -0.853 1.902 -1.167 1.00 0.42 H new ATOM 0 HB2 LEU A 16 -2.872 0.670 0.730 1.00 0.47 H new ATOM 0 HB3 LEU A 16 -2.955 0.713 -1.020 1.00 0.47 H new ATOM 0 HG LEU A 16 -2.300 -1.450 -0.671 1.00 0.53 H new ATOM 0 HD11 LEU A 16 0.101 -1.698 -1.175 1.00 0.86 H new ATOM 0 HD12 LEU A 16 -0.659 -0.423 -2.156 1.00 0.86 H new ATOM 0 HD13 LEU A 16 0.357 0.014 -0.761 1.00 0.86 H new ATOM 0 HD21 LEU A 16 -0.730 -2.204 1.079 1.00 0.92 H new ATOM 0 HD22 LEU A 16 -0.524 -0.518 1.609 1.00 0.92 H new ATOM 0 HD23 LEU A 16 -2.110 -1.311 1.761 1.00 0.92 H new ATOM 221 N ASN A 17 -2.086 3.633 1.260 1.00 0.40 N ATOM 222 CA ASN A 17 -2.789 4.855 1.629 1.00 0.42 C ATOM 223 C ASN A 17 -2.052 6.080 1.099 1.00 0.38 C ATOM 224 O ASN A 17 -2.627 6.906 0.390 1.00 0.42 O ATOM 225 CB ASN A 17 -2.916 4.936 3.151 1.00 0.47 C ATOM 226 CG ASN A 17 -4.040 4.069 3.685 1.00 1.38 C ATOM 227 OD1 ASN A 17 -5.180 4.517 3.810 1.00 1.93 O ATOM 228 ND2 ASN A 17 -3.722 2.821 4.006 1.00 2.33 N ATOM 0 H ASN A 17 -1.556 3.210 2.022 1.00 0.40 H new ATOM 0 HA ASN A 17 -3.784 4.835 1.185 1.00 0.42 H new ATOM 0 HB2 ASN A 17 -1.975 4.629 3.608 1.00 0.47 H new ATOM 0 HB3 ASN A 17 -3.089 5.972 3.444 1.00 0.47 H new ATOM 0 HD21 ASN A 17 -4.436 2.191 4.373 1.00 2.33 H new ATOM 0 HD22 ASN A 17 -2.764 2.492 3.886 1.00 2.33 H new ATOM 235 N ALA A 18 -0.774 6.189 1.449 1.00 0.37 N ATOM 236 CA ALA A 18 0.056 7.304 1.008 1.00 0.37 C ATOM 237 C ALA A 18 0.165 7.332 -0.513 1.00 0.38 C ATOM 238 O ALA A 18 -0.015 8.375 -1.142 1.00 0.44 O ATOM 239 CB ALA A 18 1.439 7.197 1.628 1.00 0.42 C ATOM 0 H ALA A 18 -0.289 5.514 2.040 1.00 0.37 H new ATOM 0 HA ALA A 18 -0.413 8.232 1.334 1.00 0.37 H new ATOM 0 HB1 ALA A 18 2.053 8.033 1.294 1.00 0.42 H new ATOM 0 HB2 ALA A 18 1.354 7.221 2.714 1.00 0.42 H new ATOM 0 HB3 ALA A 18 1.904 6.260 1.321 1.00 0.42 H new ATOM 245 N LEU A 19 0.445 6.166 -1.090 1.00 0.42 N ATOM 246 CA LEU A 19 0.607 6.018 -2.535 1.00 0.48 C ATOM 247 C LEU A 19 -0.543 6.645 -3.321 1.00 0.52 C ATOM 248 O LEU A 19 -0.422 6.865 -4.524 1.00 0.69 O ATOM 249 CB LEU A 19 0.725 4.535 -2.895 1.00 0.51 C ATOM 250 CG LEU A 19 1.942 3.819 -2.308 1.00 0.61 C ATOM 251 CD1 LEU A 19 1.805 2.313 -2.467 1.00 0.77 C ATOM 252 CD2 LEU A 19 3.221 4.313 -2.967 1.00 0.94 C ATOM 0 H LEU A 19 0.566 5.297 -0.570 1.00 0.42 H new ATOM 0 HA LEU A 19 1.518 6.548 -2.812 1.00 0.48 H new ATOM 0 HB2 LEU A 19 -0.176 4.023 -2.558 1.00 0.51 H new ATOM 0 HB3 LEU A 19 0.757 4.442 -3.981 1.00 0.51 H new ATOM 0 HG LEU A 19 1.994 4.047 -1.243 1.00 0.61 H new ATOM 0 HD11 LEU A 19 2.681 1.821 -2.043 1.00 0.77 H new ATOM 0 HD12 LEU A 19 0.910 1.972 -1.947 1.00 0.77 H new ATOM 0 HD13 LEU A 19 1.726 2.065 -3.525 1.00 0.77 H new ATOM 0 HD21 LEU A 19 4.077 3.792 -2.537 1.00 0.94 H new ATOM 0 HD22 LEU A 19 3.178 4.116 -4.038 1.00 0.94 H new ATOM 0 HD23 LEU A 19 3.326 5.385 -2.799 1.00 0.94 H new ATOM 264 N ALA A 20 -1.654 6.921 -2.646 1.00 0.54 N ATOM 265 CA ALA A 20 -2.812 7.522 -3.300 1.00 0.64 C ATOM 266 C ALA A 20 -2.438 8.834 -3.986 1.00 0.78 C ATOM 267 O ALA A 20 -2.493 9.903 -3.378 1.00 1.59 O ATOM 268 CB ALA A 20 -3.931 7.748 -2.296 1.00 0.76 C ATOM 0 H ALA A 20 -1.777 6.739 -1.650 1.00 0.54 H new ATOM 0 HA ALA A 20 -3.163 6.830 -4.065 1.00 0.64 H new ATOM 0 HB1 ALA A 20 -4.787 8.197 -2.800 1.00 0.76 H new ATOM 0 HB2 ALA A 20 -4.226 6.794 -1.859 1.00 0.76 H new ATOM 0 HB3 ALA A 20 -3.583 8.416 -1.508 1.00 0.76 H new ATOM 274 N GLN A 21 -2.050 8.742 -5.255 1.00 0.71 N ATOM 275 CA GLN A 21 -1.669 9.918 -6.029 1.00 0.81 C ATOM 276 C GLN A 21 -2.805 10.351 -6.950 1.00 1.05 C ATOM 277 O GLN A 21 -3.102 11.540 -7.066 1.00 1.54 O ATOM 278 CB GLN A 21 -0.410 9.631 -6.854 1.00 1.12 C ATOM 279 CG GLN A 21 0.846 9.466 -6.012 1.00 1.08 C ATOM 280 CD GLN A 21 2.083 9.221 -6.854 1.00 1.24 C ATOM 281 OE1 GLN A 21 3.226 9.702 -6.377 1.00 1.87 O flip ATOM 282 NE2 GLN A 21 2.012 8.609 -7.920 1.00 1.21 N flip ATOM 0 H GLN A 21 -1.991 7.863 -5.769 1.00 0.71 H new ATOM 0 HA GLN A 21 -1.458 10.728 -5.331 1.00 0.81 H new ATOM 0 HB2 GLN A 21 -0.567 8.724 -7.438 1.00 1.12 H new ATOM 0 HB3 GLN A 21 -0.257 10.444 -7.563 1.00 1.12 H new ATOM 0 HG2 GLN A 21 0.994 10.361 -5.407 1.00 1.08 H new ATOM 0 HG3 GLN A 21 0.710 8.633 -5.322 1.00 1.08 H new ATOM 0 HE21 GLN A 21 1.112 8.257 -8.247 1.00 1.21 H new ATOM 0 HE22 GLN A 21 2.853 8.454 -8.476 1.00 1.21 H new ATOM 404 N ILE A 30 -3.564 14.720 0.392 1.00 1.02 N ATOM 405 CA ILE A 30 -2.564 13.779 -0.100 1.00 0.84 C ATOM 406 C ILE A 30 -1.918 14.285 -1.391 1.00 0.87 C ATOM 407 O ILE A 30 -2.590 14.862 -2.247 1.00 1.18 O ATOM 408 CB ILE A 30 -3.183 12.387 -0.351 1.00 0.87 C ATOM 409 CG1 ILE A 30 -2.098 11.368 -0.709 1.00 0.77 C ATOM 410 CG2 ILE A 30 -4.233 12.458 -1.450 1.00 1.08 C ATOM 411 CD1 ILE A 30 -1.232 10.967 0.467 1.00 0.75 C ATOM 0 HA ILE A 30 -1.799 13.693 0.671 1.00 0.84 H new ATOM 0 HB ILE A 30 -3.669 12.060 0.568 1.00 0.87 H new ATOM 0 HG12 ILE A 30 -2.570 10.477 -1.122 1.00 0.77 H new ATOM 0 HG13 ILE A 30 -1.464 11.785 -1.491 1.00 0.77 H new ATOM 0 HG21 ILE A 30 -4.658 11.467 -1.612 1.00 1.08 H new ATOM 0 HG22 ILE A 30 -5.024 13.148 -1.154 1.00 1.08 H new ATOM 0 HG23 ILE A 30 -3.771 12.810 -2.372 1.00 1.08 H new ATOM 0 HD11 ILE A 30 -0.486 10.243 0.139 1.00 0.75 H new ATOM 0 HD12 ILE A 30 -0.731 11.848 0.867 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -1.855 10.520 1.242 1.00 0.75 H new ATOM 423 N THR A 31 -0.612 14.067 -1.520 1.00 0.88 N ATOM 424 CA THR A 31 0.125 14.497 -2.704 1.00 0.97 C ATOM 425 C THR A 31 1.209 13.482 -3.060 1.00 0.86 C ATOM 426 O THR A 31 1.648 12.710 -2.208 1.00 0.78 O ATOM 427 CB THR A 31 0.769 15.882 -2.495 1.00 1.07 C ATOM 428 OG1 THR A 31 -0.189 16.786 -1.932 1.00 1.72 O ATOM 429 CG2 THR A 31 1.289 16.450 -3.809 1.00 1.06 C ATOM 0 H THR A 31 -0.042 13.595 -0.818 1.00 0.88 H new ATOM 0 HA THR A 31 -0.590 14.567 -3.524 1.00 0.97 H new ATOM 0 HB THR A 31 1.610 15.763 -1.812 1.00 1.07 H new ATOM 0 HG1 THR A 31 0.227 17.663 -1.800 1.00 1.72 H new ATOM 0 HG21 THR A 31 1.738 17.427 -3.631 1.00 1.06 H new ATOM 0 HG22 THR A 31 2.039 15.777 -4.225 1.00 1.06 H new ATOM 0 HG23 THR A 31 0.463 16.553 -4.513 1.00 1.06 H new ATOM 437 N GLU A 32 1.633 13.486 -4.322 1.00 0.93 N ATOM 438 CA GLU A 32 2.659 12.558 -4.791 1.00 0.95 C ATOM 439 C GLU A 32 3.924 12.645 -3.942 1.00 0.84 C ATOM 440 O GLU A 32 4.452 11.630 -3.498 1.00 0.91 O ATOM 441 CB GLU A 32 2.998 12.845 -6.253 1.00 1.15 C ATOM 442 CG GLU A 32 1.815 12.692 -7.193 1.00 1.47 C ATOM 443 CD GLU A 32 2.075 13.296 -8.558 1.00 1.59 C ATOM 444 OE1 GLU A 32 1.786 14.497 -8.740 1.00 1.98 O ATOM 445 OE2 GLU A 32 2.568 12.568 -9.446 1.00 1.56 O ATOM 0 H GLU A 32 1.282 14.122 -5.038 1.00 0.93 H new ATOM 0 HA GLU A 32 2.259 11.548 -4.700 1.00 0.95 H new ATOM 0 HB2 GLU A 32 3.387 13.860 -6.334 1.00 1.15 H new ATOM 0 HB3 GLU A 32 3.794 12.172 -6.572 1.00 1.15 H new ATOM 0 HG2 GLU A 32 1.580 11.634 -7.307 1.00 1.47 H new ATOM 0 HG3 GLU A 32 0.940 13.167 -6.750 1.00 1.47 H new ATOM 452 N GLU A 33 4.407 13.859 -3.716 1.00 0.80 N ATOM 453 CA GLU A 33 5.610 14.057 -2.916 1.00 0.79 C ATOM 454 C GLU A 33 5.284 13.973 -1.431 1.00 0.64 C ATOM 455 O GLU A 33 6.178 13.931 -0.585 1.00 0.70 O ATOM 456 CB GLU A 33 6.247 15.409 -3.239 1.00 0.97 C ATOM 457 CG GLU A 33 6.678 15.544 -4.690 1.00 1.63 C ATOM 458 CD GLU A 33 7.292 16.897 -4.994 1.00 2.05 C ATOM 459 OE1 GLU A 33 8.519 17.044 -4.816 1.00 2.36 O ATOM 460 OE2 GLU A 33 6.546 17.807 -5.412 1.00 2.64 O ATOM 0 H GLU A 33 3.988 14.718 -4.073 1.00 0.80 H new ATOM 0 HA GLU A 33 6.320 13.267 -3.162 1.00 0.79 H new ATOM 0 HB2 GLU A 33 5.537 16.202 -3.004 1.00 0.97 H new ATOM 0 HB3 GLU A 33 7.114 15.556 -2.595 1.00 0.97 H new ATOM 0 HG2 GLU A 33 7.399 14.761 -4.925 1.00 1.63 H new ATOM 0 HG3 GLU A 33 5.815 15.387 -5.337 1.00 1.63 H new ATOM 467 N LEU A 34 3.992 13.954 -1.127 1.00 0.54 N ATOM 468 CA LEU A 34 3.522 13.884 0.252 1.00 0.49 C ATOM 469 C LEU A 34 3.447 12.443 0.754 1.00 0.43 C ATOM 470 O LEU A 34 3.664 12.186 1.937 1.00 0.46 O ATOM 471 CB LEU A 34 2.145 14.553 0.359 1.00 0.57 C ATOM 472 CG LEU A 34 1.584 14.743 1.777 1.00 0.91 C ATOM 473 CD1 LEU A 34 0.908 13.471 2.260 1.00 1.75 C ATOM 474 CD2 LEU A 34 2.677 15.174 2.748 1.00 1.48 C ATOM 0 H LEU A 34 3.246 13.986 -1.822 1.00 0.54 H new ATOM 0 HA LEU A 34 4.239 14.412 0.881 1.00 0.49 H new ATOM 0 HB2 LEU A 34 2.203 15.531 -0.119 1.00 0.57 H new ATOM 0 HB3 LEU A 34 1.432 13.960 -0.213 1.00 0.57 H new ATOM 0 HG LEU A 34 0.838 15.537 1.739 1.00 0.91 H new ATOM 0 HD11 LEU A 34 0.517 13.626 3.266 1.00 1.75 H new ATOM 0 HD12 LEU A 34 0.089 13.217 1.588 1.00 1.75 H new ATOM 0 HD13 LEU A 34 1.632 12.657 2.274 1.00 1.75 H new ATOM 0 HD21 LEU A 34 2.250 15.301 3.743 1.00 1.48 H new ATOM 0 HD22 LEU A 34 3.455 14.412 2.781 1.00 1.48 H new ATOM 0 HD23 LEU A 34 3.108 16.118 2.415 1.00 1.48 H new ATOM 486 N LEU A 35 3.149 11.505 -0.147 1.00 0.45 N ATOM 487 CA LEU A 35 3.016 10.100 0.235 1.00 0.49 C ATOM 488 C LEU A 35 4.239 9.596 0.996 1.00 0.43 C ATOM 489 O LEU A 35 4.101 8.859 1.973 1.00 0.50 O ATOM 490 CB LEU A 35 2.734 9.214 -0.985 1.00 0.63 C ATOM 491 CG LEU A 35 3.855 9.100 -2.015 1.00 0.64 C ATOM 492 CD1 LEU A 35 4.736 7.902 -1.707 1.00 0.89 C ATOM 493 CD2 LEU A 35 3.273 8.982 -3.416 1.00 1.08 C ATOM 0 H LEU A 35 2.996 11.691 -1.138 1.00 0.45 H new ATOM 0 HA LEU A 35 2.161 10.036 0.908 1.00 0.49 H new ATOM 0 HB2 LEU A 35 2.492 8.212 -0.631 1.00 0.63 H new ATOM 0 HB3 LEU A 35 1.846 9.597 -1.488 1.00 0.63 H new ATOM 0 HG LEU A 35 4.466 10.001 -1.966 1.00 0.64 H new ATOM 0 HD11 LEU A 35 5.531 7.834 -2.450 1.00 0.89 H new ATOM 0 HD12 LEU A 35 5.175 8.018 -0.716 1.00 0.89 H new ATOM 0 HD13 LEU A 35 4.136 6.993 -1.734 1.00 0.89 H new ATOM 0 HD21 LEU A 35 4.083 8.901 -4.141 1.00 1.08 H new ATOM 0 HD22 LEU A 35 2.644 8.094 -3.475 1.00 1.08 H new ATOM 0 HD23 LEU A 35 2.675 9.866 -3.637 1.00 1.08 H new ATOM 505 N ARG A 36 5.433 9.982 0.557 1.00 0.38 N ATOM 506 CA ARG A 36 6.642 9.559 1.227 1.00 0.38 C ATOM 507 C ARG A 36 6.744 10.217 2.595 1.00 0.34 C ATOM 508 O ARG A 36 6.918 9.544 3.608 1.00 0.37 O ATOM 509 CB ARG A 36 7.862 9.907 0.385 1.00 0.46 C ATOM 510 CG ARG A 36 7.881 9.235 -0.976 1.00 1.18 C ATOM 511 CD ARG A 36 7.239 10.112 -2.038 1.00 1.73 C ATOM 512 NE ARG A 36 6.915 9.359 -3.246 1.00 2.64 N ATOM 513 CZ ARG A 36 6.686 9.921 -4.429 1.00 3.41 C ATOM 514 NH1 ARG A 36 6.787 11.236 -4.574 1.00 3.46 N ATOM 515 NH2 ARG A 36 6.359 9.168 -5.467 1.00 4.28 N ATOM 0 H ARG A 36 5.581 10.582 -0.254 1.00 0.38 H new ATOM 0 HA ARG A 36 6.606 8.478 1.360 1.00 0.38 H new ATOM 0 HB2 ARG A 36 7.900 10.988 0.247 1.00 0.46 H new ATOM 0 HB3 ARG A 36 8.762 9.624 0.932 1.00 0.46 H new ATOM 0 HG2 ARG A 36 8.910 9.013 -1.259 1.00 1.18 H new ATOM 0 HG3 ARG A 36 7.353 8.283 -0.921 1.00 1.18 H new ATOM 0 HD2 ARG A 36 6.331 10.562 -1.637 1.00 1.73 H new ATOM 0 HD3 ARG A 36 7.915 10.929 -2.290 1.00 1.73 H new ATOM 0 HE ARG A 36 6.861 8.343 -3.179 1.00 2.64 H new ATOM 0 HH11 ARG A 36 7.041 11.819 -3.777 1.00 3.46 H new ATOM 0 HH12 ARG A 36 6.611 11.664 -5.483 1.00 3.46 H new ATOM 0 HH21 ARG A 36 6.283 8.157 -5.359 1.00 4.28 H new ATOM 0 HH22 ARG A 36 6.183 9.599 -6.375 1.00 4.28 H new ATOM 529 N SER A 37 6.615 11.538 2.617 1.00 0.36 N ATOM 530 CA SER A 37 6.690 12.289 3.860 1.00 0.40 C ATOM 531 C SER A 37 5.597 11.841 4.824 1.00 0.40 C ATOM 532 O SER A 37 5.687 12.060 6.032 1.00 0.46 O ATOM 533 CB SER A 37 6.563 13.789 3.585 1.00 0.47 C ATOM 534 OG SER A 37 7.620 14.248 2.761 1.00 1.33 O ATOM 0 H SER A 37 6.458 12.110 1.787 1.00 0.36 H new ATOM 0 HA SER A 37 7.660 12.095 4.318 1.00 0.40 H new ATOM 0 HB2 SER A 37 5.607 13.994 3.103 1.00 0.47 H new ATOM 0 HB3 SER A 37 6.569 14.336 4.528 1.00 0.47 H new ATOM 0 HG SER A 37 7.515 15.209 2.599 1.00 1.33 H new ATOM 540 N GLN A 38 4.565 11.206 4.274 1.00 0.36 N ATOM 541 CA GLN A 38 3.436 10.732 5.064 1.00 0.39 C ATOM 542 C GLN A 38 3.849 9.643 6.052 1.00 0.43 C ATOM 543 O GLN A 38 3.517 9.717 7.235 1.00 0.67 O ATOM 544 CB GLN A 38 2.338 10.203 4.140 1.00 0.42 C ATOM 545 CG GLN A 38 0.962 10.770 4.441 1.00 0.74 C ATOM 546 CD GLN A 38 0.473 10.409 5.831 1.00 1.11 C ATOM 547 OE1 GLN A 38 -0.179 9.383 6.026 1.00 1.74 O ATOM 548 NE2 GLN A 38 0.787 11.254 6.806 1.00 1.84 N ATOM 0 H GLN A 38 4.489 11.008 3.276 1.00 0.36 H new ATOM 0 HA GLN A 38 3.059 11.577 5.639 1.00 0.39 H new ATOM 0 HB2 GLN A 38 2.600 10.437 3.108 1.00 0.42 H new ATOM 0 HB3 GLN A 38 2.299 9.117 4.221 1.00 0.42 H new ATOM 0 HG2 GLN A 38 0.990 11.855 4.340 1.00 0.74 H new ATOM 0 HG3 GLN A 38 0.251 10.400 3.702 1.00 0.74 H new ATOM 0 HE21 GLN A 38 1.329 12.093 6.599 1.00 1.84 H new ATOM 0 HE22 GLN A 38 0.486 11.064 7.762 1.00 1.84 H new ATOM 557 N LEU A 39 4.571 8.631 5.570 1.00 0.41 N ATOM 558 CA LEU A 39 4.997 7.533 6.434 1.00 0.53 C ATOM 559 C LEU A 39 6.482 7.209 6.274 1.00 0.51 C ATOM 560 O LEU A 39 7.165 6.918 7.256 1.00 0.61 O ATOM 561 CB LEU A 39 4.159 6.283 6.149 1.00 0.69 C ATOM 562 CG LEU A 39 2.646 6.463 6.313 1.00 0.78 C ATOM 563 CD1 LEU A 39 1.978 6.632 4.956 1.00 1.09 C ATOM 564 CD2 LEU A 39 2.048 5.281 7.059 1.00 1.07 C ATOM 0 H LEU A 39 4.869 8.550 4.598 1.00 0.41 H new ATOM 0 HA LEU A 39 4.842 7.856 7.464 1.00 0.53 H new ATOM 0 HB2 LEU A 39 4.362 5.953 5.130 1.00 0.69 H new ATOM 0 HB3 LEU A 39 4.488 5.484 6.814 1.00 0.69 H new ATOM 0 HG LEU A 39 2.468 7.365 6.898 1.00 0.78 H new ATOM 0 HD11 LEU A 39 0.904 6.758 5.092 1.00 1.09 H new ATOM 0 HD12 LEU A 39 2.386 7.510 4.456 1.00 1.09 H new ATOM 0 HD13 LEU A 39 2.165 5.748 4.346 1.00 1.09 H new ATOM 0 HD21 LEU A 39 0.973 5.425 7.167 1.00 1.07 H new ATOM 0 HD22 LEU A 39 2.237 4.365 6.500 1.00 1.07 H new ATOM 0 HD23 LEU A 39 2.505 5.205 8.046 1.00 1.07 H new ATOM 576 N TYR A 40 6.980 7.253 5.040 1.00 0.46 N ATOM 577 CA TYR A 40 8.387 6.946 4.777 1.00 0.48 C ATOM 578 C TYR A 40 9.168 8.188 4.351 1.00 0.42 C ATOM 579 O TYR A 40 9.337 8.442 3.159 1.00 0.46 O ATOM 580 CB TYR A 40 8.525 5.852 3.706 1.00 0.58 C ATOM 581 CG TYR A 40 7.377 5.781 2.722 1.00 0.63 C ATOM 582 CD1 TYR A 40 6.118 5.359 3.128 1.00 0.99 C ATOM 583 CD2 TYR A 40 7.548 6.144 1.391 1.00 0.89 C ATOM 584 CE1 TYR A 40 5.064 5.301 2.238 1.00 1.38 C ATOM 585 CE2 TYR A 40 6.499 6.086 0.496 1.00 1.30 C ATOM 586 CZ TYR A 40 5.276 5.633 0.908 1.00 1.48 C ATOM 587 OH TYR A 40 4.214 5.610 0.032 1.00 1.97 O ATOM 0 H TYR A 40 6.437 7.496 4.212 1.00 0.46 H new ATOM 0 HA TYR A 40 8.810 6.580 5.713 1.00 0.48 H new ATOM 0 HB2 TYR A 40 9.450 6.018 3.153 1.00 0.58 H new ATOM 0 HB3 TYR A 40 8.620 4.886 4.203 1.00 0.58 H new ATOM 0 HD1 TYR A 40 5.961 5.071 4.157 1.00 0.99 H new ATOM 0 HD2 TYR A 40 8.518 6.477 1.052 1.00 0.89 H new ATOM 0 HE1 TYR A 40 4.083 5.000 2.574 1.00 1.38 H new ATOM 0 HE2 TYR A 40 6.644 6.398 -0.528 1.00 1.30 H new ATOM 0 HH TYR A 40 4.397 4.969 -0.687 1.00 1.97 H new ATOM 597 N PRO A 41 9.651 8.983 5.326 1.00 0.47 N ATOM 598 CA PRO A 41 10.423 10.192 5.039 1.00 0.51 C ATOM 599 C PRO A 41 11.845 9.861 4.601 1.00 0.57 C ATOM 600 O PRO A 41 12.590 10.734 4.156 1.00 0.79 O ATOM 601 CB PRO A 41 10.432 10.930 6.378 1.00 0.66 C ATOM 602 CG PRO A 41 10.328 9.849 7.398 1.00 0.75 C ATOM 603 CD PRO A 41 9.482 8.769 6.778 1.00 0.62 C ATOM 0 HA PRO A 41 9.996 10.775 4.223 1.00 0.51 H new ATOM 0 HB2 PRO A 41 11.346 11.510 6.506 1.00 0.66 H new ATOM 0 HB3 PRO A 41 9.598 11.628 6.453 1.00 0.66 H new ATOM 0 HG2 PRO A 41 11.314 9.467 7.663 1.00 0.75 H new ATOM 0 HG3 PRO A 41 9.873 10.222 8.316 1.00 0.75 H new ATOM 0 HD2 PRO A 41 9.817 7.776 7.078 1.00 0.62 H new ATOM 0 HD3 PRO A 41 8.438 8.857 7.077 1.00 0.62 H new ATOM 611 N GLU A 42 12.210 8.589 4.731 1.00 0.48 N ATOM 612 CA GLU A 42 13.540 8.132 4.348 1.00 0.55 C ATOM 613 C GLU A 42 13.640 7.963 2.838 1.00 0.57 C ATOM 614 O GLU A 42 14.673 8.261 2.238 1.00 0.71 O ATOM 615 CB GLU A 42 13.874 6.809 5.043 1.00 0.59 C ATOM 616 CG GLU A 42 12.891 5.689 4.739 1.00 0.58 C ATOM 617 CD GLU A 42 13.333 4.357 5.313 1.00 0.72 C ATOM 618 OE1 GLU A 42 13.136 4.140 6.527 1.00 0.87 O ATOM 619 OE2 GLU A 42 13.875 3.532 4.548 1.00 0.94 O ATOM 0 H GLU A 42 11.602 7.857 5.099 1.00 0.48 H new ATOM 0 HA GLU A 42 14.259 8.888 4.663 1.00 0.55 H new ATOM 0 HB2 GLU A 42 14.873 6.494 4.742 1.00 0.59 H new ATOM 0 HB3 GLU A 42 13.902 6.973 6.120 1.00 0.59 H new ATOM 0 HG2 GLU A 42 11.913 5.949 5.144 1.00 0.58 H new ATOM 0 HG3 GLU A 42 12.775 5.595 3.659 1.00 0.58 H new ATOM 626 N VAL A 43 12.561 7.485 2.226 1.00 0.52 N ATOM 627 CA VAL A 43 12.533 7.279 0.789 1.00 0.60 C ATOM 628 C VAL A 43 12.293 8.590 0.060 1.00 0.51 C ATOM 629 O VAL A 43 11.475 9.403 0.490 1.00 0.52 O ATOM 630 CB VAL A 43 11.449 6.259 0.388 1.00 0.74 C ATOM 631 CG1 VAL A 43 10.919 6.529 -1.014 1.00 0.90 C ATOM 632 CG2 VAL A 43 12.016 4.862 0.475 1.00 0.99 C ATOM 0 H VAL A 43 11.697 7.234 2.706 1.00 0.52 H new ATOM 0 HA VAL A 43 13.506 6.882 0.500 1.00 0.60 H new ATOM 0 HB VAL A 43 10.612 6.358 1.079 1.00 0.74 H new ATOM 0 HG11 VAL A 43 10.157 5.791 -1.263 1.00 0.90 H new ATOM 0 HG12 VAL A 43 10.483 7.527 -1.052 1.00 0.90 H new ATOM 0 HG13 VAL A 43 11.737 6.462 -1.731 1.00 0.90 H new ATOM 0 HG21 VAL A 43 11.250 4.140 0.192 1.00 0.99 H new ATOM 0 HG22 VAL A 43 12.867 4.772 -0.200 1.00 0.99 H new ATOM 0 HG23 VAL A 43 12.341 4.664 1.496 1.00 0.99 H new ATOM 642 N PRO A 44 13.000 8.818 -1.059 1.00 0.56 N ATOM 643 CA PRO A 44 12.849 10.026 -1.834 1.00 0.54 C ATOM 644 C PRO A 44 11.722 9.905 -2.855 1.00 0.54 C ATOM 645 O PRO A 44 11.358 8.798 -3.253 1.00 0.60 O ATOM 646 CB PRO A 44 14.206 10.182 -2.536 1.00 0.64 C ATOM 647 CG PRO A 44 14.975 8.922 -2.254 1.00 0.67 C ATOM 648 CD PRO A 44 14.003 7.941 -1.660 1.00 0.76 C ATOM 0 HA PRO A 44 12.587 10.883 -1.214 1.00 0.54 H new ATOM 0 HB2 PRO A 44 14.075 10.325 -3.609 1.00 0.64 H new ATOM 0 HB3 PRO A 44 14.740 11.055 -2.161 1.00 0.64 H new ATOM 0 HG2 PRO A 44 15.414 8.525 -3.169 1.00 0.67 H new ATOM 0 HG3 PRO A 44 15.797 9.117 -1.565 1.00 0.67 H new ATOM 0 HD2 PRO A 44 13.570 7.288 -2.418 1.00 0.76 H new ATOM 0 HD3 PRO A 44 14.477 7.298 -0.919 1.00 0.76 H new ATOM 656 N PRO A 45 11.147 11.042 -3.286 1.00 0.56 N ATOM 657 CA PRO A 45 10.058 11.062 -4.272 1.00 0.67 C ATOM 658 C PRO A 45 10.515 10.631 -5.666 1.00 0.77 C ATOM 659 O PRO A 45 9.888 10.979 -6.668 1.00 1.08 O ATOM 660 CB PRO A 45 9.613 12.535 -4.283 1.00 0.72 C ATOM 661 CG PRO A 45 10.190 13.120 -3.039 1.00 0.63 C ATOM 662 CD PRO A 45 11.484 12.399 -2.834 1.00 0.56 C ATOM 0 HA PRO A 45 9.264 10.362 -4.010 1.00 0.67 H new ATOM 0 HB2 PRO A 45 9.980 13.052 -5.170 1.00 0.72 H new ATOM 0 HB3 PRO A 45 8.526 12.619 -4.292 1.00 0.72 H new ATOM 0 HG2 PRO A 45 10.349 14.193 -3.145 1.00 0.63 H new ATOM 0 HG3 PRO A 45 9.521 12.979 -2.190 1.00 0.63 H new ATOM 0 HD2 PRO A 45 12.293 12.836 -3.420 1.00 0.56 H new ATOM 0 HD3 PRO A 45 11.801 12.416 -1.791 1.00 0.56 H new ATOM 670 N GLU A 46 11.605 9.869 -5.725 1.00 0.65 N ATOM 671 CA GLU A 46 12.142 9.390 -6.995 1.00 0.77 C ATOM 672 C GLU A 46 12.583 7.931 -6.883 1.00 0.71 C ATOM 673 O GLU A 46 12.308 7.121 -7.769 1.00 0.81 O ATOM 674 CB GLU A 46 13.322 10.261 -7.432 1.00 0.92 C ATOM 675 CG GLU A 46 13.965 9.810 -8.733 1.00 1.61 C ATOM 676 CD GLU A 46 13.016 9.894 -9.913 1.00 2.17 C ATOM 677 OE1 GLU A 46 12.272 8.918 -10.147 1.00 3.02 O ATOM 678 OE2 GLU A 46 13.019 10.934 -10.603 1.00 2.25 O ATOM 0 H GLU A 46 12.134 9.570 -4.906 1.00 0.65 H new ATOM 0 HA GLU A 46 11.354 9.455 -7.745 1.00 0.77 H new ATOM 0 HB2 GLU A 46 12.981 11.290 -7.543 1.00 0.92 H new ATOM 0 HB3 GLU A 46 14.076 10.258 -6.644 1.00 0.92 H new ATOM 0 HG2 GLU A 46 14.842 10.425 -8.933 1.00 1.61 H new ATOM 0 HG3 GLU A 46 14.314 8.783 -8.625 1.00 1.61 H new ATOM 685 N GLU A 47 13.266 7.604 -5.787 1.00 0.63 N ATOM 686 CA GLU A 47 13.748 6.245 -5.557 1.00 0.66 C ATOM 687 C GLU A 47 12.713 5.413 -4.804 1.00 0.55 C ATOM 688 O GLU A 47 13.044 4.406 -4.181 1.00 0.59 O ATOM 689 CB GLU A 47 15.059 6.277 -4.768 1.00 0.81 C ATOM 690 CG GLU A 47 16.212 6.912 -5.528 1.00 1.25 C ATOM 691 CD GLU A 47 17.477 7.001 -4.697 1.00 1.42 C ATOM 692 OE1 GLU A 47 18.263 6.032 -4.709 1.00 1.62 O ATOM 693 OE2 GLU A 47 17.679 8.041 -4.034 1.00 1.58 O ATOM 0 H GLU A 47 13.498 8.263 -5.044 1.00 0.63 H new ATOM 0 HA GLU A 47 13.921 5.781 -6.528 1.00 0.66 H new ATOM 0 HB2 GLU A 47 14.901 6.826 -3.839 1.00 0.81 H new ATOM 0 HB3 GLU A 47 15.333 5.258 -4.494 1.00 0.81 H new ATOM 0 HG2 GLU A 47 16.413 6.331 -6.428 1.00 1.25 H new ATOM 0 HG3 GLU A 47 15.923 7.912 -5.851 1.00 1.25 H new ATOM 700 N PHE A 48 11.460 5.849 -4.858 1.00 0.48 N ATOM 701 CA PHE A 48 10.373 5.146 -4.183 1.00 0.45 C ATOM 702 C PHE A 48 9.916 3.930 -4.984 1.00 0.41 C ATOM 703 O PHE A 48 9.470 2.932 -4.417 1.00 0.45 O ATOM 704 CB PHE A 48 9.188 6.090 -3.977 1.00 0.54 C ATOM 705 CG PHE A 48 8.563 6.548 -5.267 1.00 1.39 C ATOM 706 CD1 PHE A 48 9.142 7.564 -6.008 1.00 2.39 C ATOM 707 CD2 PHE A 48 7.391 5.970 -5.729 1.00 1.41 C ATOM 708 CE1 PHE A 48 8.565 7.996 -7.188 1.00 3.37 C ATOM 709 CE2 PHE A 48 6.810 6.396 -6.910 1.00 2.36 C ATOM 710 CZ PHE A 48 7.418 7.375 -7.662 1.00 3.35 C ATOM 0 H PHE A 48 11.170 6.687 -5.363 1.00 0.48 H new ATOM 0 HA PHE A 48 10.747 4.804 -3.218 1.00 0.45 H new ATOM 0 HB2 PHE A 48 8.432 5.588 -3.373 1.00 0.54 H new ATOM 0 HB3 PHE A 48 9.520 6.961 -3.412 1.00 0.54 H new ATOM 0 HD1 PHE A 48 10.055 8.025 -5.660 1.00 2.39 H new ATOM 0 HD2 PHE A 48 6.926 5.178 -5.161 1.00 1.41 H new ATOM 0 HE1 PHE A 48 9.005 8.814 -7.739 1.00 3.37 H new ATOM 0 HE2 PHE A 48 5.879 5.960 -7.242 1.00 2.36 H new ATOM 0 HZ PHE A 48 7.004 7.659 -8.618 1.00 3.35 H new ATOM 720 N ARG A 49 10.028 4.025 -6.305 1.00 0.43 N ATOM 721 CA ARG A 49 9.606 2.950 -7.195 1.00 0.47 C ATOM 722 C ARG A 49 10.310 1.624 -6.889 1.00 0.49 C ATOM 723 O ARG A 49 9.644 0.603 -6.716 1.00 0.52 O ATOM 724 CB ARG A 49 9.836 3.345 -8.654 1.00 0.58 C ATOM 725 CG ARG A 49 8.944 2.597 -9.626 1.00 1.06 C ATOM 726 CD ARG A 49 7.486 2.997 -9.457 1.00 1.14 C ATOM 727 NE ARG A 49 6.578 2.073 -10.130 1.00 1.80 N ATOM 728 CZ ARG A 49 5.252 2.174 -10.081 1.00 2.30 C ATOM 729 NH1 ARG A 49 4.682 3.158 -9.396 1.00 2.42 N ATOM 730 NH2 ARG A 49 4.495 1.292 -10.717 1.00 3.07 N ATOM 0 H ARG A 49 10.410 4.840 -6.785 1.00 0.43 H new ATOM 0 HA ARG A 49 8.541 2.796 -7.024 1.00 0.47 H new ATOM 0 HB2 ARG A 49 9.665 4.416 -8.765 1.00 0.58 H new ATOM 0 HB3 ARG A 49 10.879 3.161 -8.913 1.00 0.58 H new ATOM 0 HG2 ARG A 49 9.264 2.802 -10.648 1.00 1.06 H new ATOM 0 HG3 ARG A 49 9.050 1.524 -9.468 1.00 1.06 H new ATOM 0 HD2 ARG A 49 7.242 3.034 -8.395 1.00 1.14 H new ATOM 0 HD3 ARG A 49 7.339 4.002 -9.853 1.00 1.14 H new ATOM 0 HE ARG A 49 6.983 1.307 -10.668 1.00 1.80 H new ATOM 0 HH11 ARG A 49 5.261 3.840 -8.905 1.00 2.42 H new ATOM 0 HH12 ARG A 49 3.665 3.232 -9.361 1.00 2.42 H new ATOM 0 HH21 ARG A 49 4.928 0.535 -11.245 1.00 3.07 H new ATOM 0 HH22 ARG A 49 3.479 1.370 -10.679 1.00 3.07 H new ATOM 744 N PRO A 50 11.661 1.600 -6.828 1.00 0.52 N ATOM 745 CA PRO A 50 12.411 0.372 -6.544 1.00 0.59 C ATOM 746 C PRO A 50 11.888 -0.354 -5.313 1.00 0.58 C ATOM 747 O PRO A 50 11.873 -1.584 -5.271 1.00 0.68 O ATOM 748 CB PRO A 50 13.853 0.853 -6.317 1.00 0.63 C ATOM 749 CG PRO A 50 13.772 2.342 -6.229 1.00 0.58 C ATOM 750 CD PRO A 50 12.565 2.741 -7.027 1.00 0.54 C ATOM 0 HA PRO A 50 12.322 -0.347 -7.359 1.00 0.59 H new ATOM 0 HB2 PRO A 50 14.268 0.429 -5.403 1.00 0.63 H new ATOM 0 HB3 PRO A 50 14.503 0.544 -7.136 1.00 0.63 H new ATOM 0 HG2 PRO A 50 13.679 2.667 -5.193 1.00 0.58 H new ATOM 0 HG3 PRO A 50 14.674 2.806 -6.628 1.00 0.58 H new ATOM 0 HD2 PRO A 50 12.129 3.672 -6.665 1.00 0.54 H new ATOM 0 HD3 PRO A 50 12.805 2.890 -8.080 1.00 0.54 H new ATOM 758 N PHE A 51 11.462 0.405 -4.310 1.00 0.49 N ATOM 759 CA PHE A 51 10.928 -0.191 -3.095 1.00 0.51 C ATOM 760 C PHE A 51 9.523 -0.715 -3.354 1.00 0.45 C ATOM 761 O PHE A 51 9.091 -1.697 -2.750 1.00 0.52 O ATOM 762 CB PHE A 51 10.917 0.821 -1.948 1.00 0.60 C ATOM 763 CG PHE A 51 11.463 0.264 -0.665 1.00 0.99 C ATOM 764 CD1 PHE A 51 10.780 -0.728 0.021 1.00 1.29 C ATOM 765 CD2 PHE A 51 12.655 0.738 -0.141 1.00 1.44 C ATOM 766 CE1 PHE A 51 11.276 -1.237 1.206 1.00 1.88 C ATOM 767 CE2 PHE A 51 13.156 0.232 1.044 1.00 2.02 C ATOM 768 CZ PHE A 51 12.482 -0.776 1.702 1.00 2.20 C ATOM 0 H PHE A 51 11.476 1.425 -4.315 1.00 0.49 H new ATOM 0 HA PHE A 51 11.571 -1.021 -2.803 1.00 0.51 H new ATOM 0 HB2 PHE A 51 11.503 1.694 -2.236 1.00 0.60 H new ATOM 0 HB3 PHE A 51 9.895 1.163 -1.783 1.00 0.60 H new ATOM 0 HD1 PHE A 51 9.850 -1.107 -0.375 1.00 1.29 H new ATOM 0 HD2 PHE A 51 13.198 1.511 -0.664 1.00 1.44 H new ATOM 0 HE1 PHE A 51 10.723 -1.993 1.744 1.00 1.88 H new ATOM 0 HE2 PHE A 51 14.074 0.625 1.454 1.00 2.02 H new ATOM 0 HZ PHE A 51 12.895 -1.204 2.603 1.00 2.20 H new ATOM 778 N LEU A 52 8.815 -0.048 -4.263 1.00 0.40 N ATOM 779 CA LEU A 52 7.468 -0.451 -4.632 1.00 0.43 C ATOM 780 C LEU A 52 7.513 -1.658 -5.559 1.00 0.44 C ATOM 781 O LEU A 52 6.478 -2.203 -5.929 1.00 0.50 O ATOM 782 CB LEU A 52 6.721 0.699 -5.317 1.00 0.55 C ATOM 783 CG LEU A 52 6.310 1.860 -4.411 1.00 0.56 C ATOM 784 CD1 LEU A 52 5.506 2.884 -5.198 1.00 1.33 C ATOM 785 CD2 LEU A 52 5.506 1.352 -3.225 1.00 1.15 C ATOM 0 H LEU A 52 9.157 0.776 -4.757 1.00 0.40 H new ATOM 0 HA LEU A 52 6.935 -0.718 -3.720 1.00 0.43 H new ATOM 0 HB2 LEU A 52 7.351 1.092 -6.115 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.824 0.295 -5.788 1.00 0.55 H new ATOM 0 HG LEU A 52 7.212 2.341 -4.034 1.00 0.56 H new ATOM 0 HD11 LEU A 52 5.220 3.705 -4.541 1.00 1.33 H new ATOM 0 HD12 LEU A 52 6.112 3.270 -6.018 1.00 1.33 H new ATOM 0 HD13 LEU A 52 4.610 2.412 -5.600 1.00 1.33 H new ATOM 0 HD21 LEU A 52 5.222 2.192 -2.591 1.00 1.15 H new ATOM 0 HD22 LEU A 52 4.608 0.848 -3.583 1.00 1.15 H new ATOM 0 HD23 LEU A 52 6.110 0.651 -2.649 1.00 1.15 H new ATOM 797 N ALA A 53 8.718 -2.074 -5.941 1.00 0.48 N ATOM 798 CA ALA A 53 8.875 -3.230 -6.814 1.00 0.59 C ATOM 799 C ALA A 53 8.168 -4.436 -6.211 1.00 0.60 C ATOM 800 O ALA A 53 7.868 -5.412 -6.900 1.00 0.76 O ATOM 801 CB ALA A 53 10.347 -3.530 -7.049 1.00 0.67 C ATOM 0 H ALA A 53 9.593 -1.630 -5.661 1.00 0.48 H new ATOM 0 HA ALA A 53 8.421 -3.005 -7.779 1.00 0.59 H new ATOM 0 HB1 ALA A 53 10.442 -4.397 -7.703 1.00 0.67 H new ATOM 0 HB2 ALA A 53 10.824 -2.668 -7.517 1.00 0.67 H new ATOM 0 HB3 ALA A 53 10.832 -3.740 -6.096 1.00 0.67 H new ATOM 807 N LYS A 54 7.910 -4.348 -4.912 1.00 0.51 N ATOM 808 CA LYS A 54 7.223 -5.402 -4.180 1.00 0.55 C ATOM 809 C LYS A 54 5.968 -4.847 -3.510 1.00 0.48 C ATOM 810 O LYS A 54 5.221 -5.579 -2.860 1.00 0.57 O ATOM 811 CB LYS A 54 8.155 -6.001 -3.126 1.00 0.62 C ATOM 812 CG LYS A 54 9.415 -6.623 -3.707 1.00 0.76 C ATOM 813 CD LYS A 54 10.533 -6.699 -2.676 1.00 0.94 C ATOM 814 CE LYS A 54 10.097 -7.443 -1.424 1.00 1.21 C ATOM 815 NZ LYS A 54 11.242 -7.713 -0.512 1.00 1.84 N ATOM 0 H LYS A 54 8.171 -3.546 -4.339 1.00 0.51 H new ATOM 0 HA LYS A 54 6.931 -6.183 -4.882 1.00 0.55 H new ATOM 0 HB2 LYS A 54 8.438 -5.221 -2.419 1.00 0.62 H new ATOM 0 HB3 LYS A 54 7.612 -6.760 -2.563 1.00 0.62 H new ATOM 0 HG2 LYS A 54 9.190 -7.624 -4.075 1.00 0.76 H new ATOM 0 HG3 LYS A 54 9.749 -6.037 -4.563 1.00 0.76 H new ATOM 0 HD2 LYS A 54 11.397 -7.199 -3.113 1.00 0.94 H new ATOM 0 HD3 LYS A 54 10.849 -5.691 -2.408 1.00 0.94 H new ATOM 0 HE2 LYS A 54 9.344 -6.857 -0.897 1.00 1.21 H new ATOM 0 HE3 LYS A 54 9.628 -8.385 -1.707 1.00 1.21 H new ATOM 0 HZ1 LYS A 54 10.903 -8.222 0.329 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 11.950 -8.293 -1.006 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 11.674 -6.813 -0.222 1.00 1.84 H new ATOM 829 N MET A 55 5.748 -3.544 -3.678 1.00 0.38 N ATOM 830 CA MET A 55 4.595 -2.868 -3.088 1.00 0.34 C ATOM 831 C MET A 55 3.819 -2.061 -4.135 1.00 0.33 C ATOM 832 O MET A 55 3.051 -1.164 -3.788 1.00 0.35 O ATOM 833 CB MET A 55 5.067 -1.933 -1.972 1.00 0.33 C ATOM 834 CG MET A 55 5.660 -2.655 -0.767 1.00 0.42 C ATOM 835 SD MET A 55 7.212 -1.919 -0.214 1.00 1.95 S ATOM 836 CE MET A 55 6.708 -0.223 0.066 1.00 2.78 C ATOM 0 H MET A 55 6.358 -2.933 -4.221 1.00 0.38 H new ATOM 0 HA MET A 55 3.928 -3.629 -2.684 1.00 0.34 H new ATOM 0 HB2 MET A 55 5.813 -1.249 -2.376 1.00 0.33 H new ATOM 0 HB3 MET A 55 4.225 -1.326 -1.640 1.00 0.33 H new ATOM 0 HG2 MET A 55 4.941 -2.638 0.052 1.00 0.42 H new ATOM 0 HG3 MET A 55 5.828 -3.701 -1.021 1.00 0.42 H new ATOM 0 HE1 MET A 55 7.475 0.452 -0.313 1.00 2.78 H new ATOM 0 HE2 MET A 55 5.769 -0.032 -0.453 1.00 2.78 H new ATOM 0 HE3 MET A 55 6.573 -0.055 1.135 1.00 2.78 H new ATOM 846 N ARG A 56 4.016 -2.384 -5.413 1.00 0.37 N ATOM 847 CA ARG A 56 3.334 -1.671 -6.495 1.00 0.42 C ATOM 848 C ARG A 56 2.087 -2.419 -6.956 1.00 0.41 C ATOM 849 O ARG A 56 1.099 -1.804 -7.360 1.00 0.43 O ATOM 850 CB ARG A 56 4.279 -1.464 -7.683 1.00 0.54 C ATOM 851 CG ARG A 56 4.473 -2.708 -8.539 1.00 1.09 C ATOM 852 CD ARG A 56 5.914 -2.859 -8.994 1.00 1.35 C ATOM 853 NE ARG A 56 6.054 -3.859 -10.049 1.00 1.81 N ATOM 854 CZ ARG A 56 7.204 -4.136 -10.657 1.00 2.37 C ATOM 855 NH1 ARG A 56 8.315 -3.499 -10.309 1.00 2.58 N ATOM 856 NH2 ARG A 56 7.245 -5.054 -11.614 1.00 3.05 N ATOM 0 H ARG A 56 4.638 -3.130 -5.724 1.00 0.37 H new ATOM 0 HA ARG A 56 3.028 -0.700 -6.105 1.00 0.42 H new ATOM 0 HB2 ARG A 56 3.890 -0.661 -8.309 1.00 0.54 H new ATOM 0 HB3 ARG A 56 5.249 -1.136 -7.310 1.00 0.54 H new ATOM 0 HG2 ARG A 56 4.177 -3.590 -7.971 1.00 1.09 H new ATOM 0 HG3 ARG A 56 3.820 -2.655 -9.410 1.00 1.09 H new ATOM 0 HD2 ARG A 56 6.283 -1.899 -9.354 1.00 1.35 H new ATOM 0 HD3 ARG A 56 6.535 -3.140 -8.143 1.00 1.35 H new ATOM 0 HE ARG A 56 5.222 -4.375 -10.336 1.00 1.81 H new ATOM 0 HH11 ARG A 56 8.289 -2.794 -9.573 1.00 2.58 H new ATOM 0 HH12 ARG A 56 9.195 -3.715 -10.778 1.00 2.58 H new ATOM 0 HH21 ARG A 56 6.394 -5.548 -11.884 1.00 3.05 H new ATOM 0 HH22 ARG A 56 8.127 -5.266 -12.080 1.00 3.05 H new ATOM 870 N GLY A 57 2.144 -3.747 -6.903 1.00 0.43 N ATOM 871 CA GLY A 57 1.015 -4.555 -7.326 1.00 0.45 C ATOM 872 C GLY A 57 -0.269 -4.175 -6.617 1.00 0.39 C ATOM 873 O GLY A 57 -1.353 -4.269 -7.191 1.00 0.48 O ATOM 0 H GLY A 57 2.951 -4.277 -6.575 1.00 0.43 H new ATOM 0 HA2 GLY A 57 0.878 -4.447 -8.402 1.00 0.45 H new ATOM 0 HA3 GLY A 57 1.233 -5.606 -7.137 1.00 0.45 H new ATOM 877 N ILE A 58 -0.144 -3.735 -5.371 1.00 0.41 N ATOM 878 CA ILE A 58 -1.303 -3.344 -4.578 1.00 0.39 C ATOM 879 C ILE A 58 -1.697 -1.896 -4.851 1.00 0.40 C ATOM 880 O ILE A 58 -2.837 -1.496 -4.614 1.00 0.47 O ATOM 881 CB ILE A 58 -1.029 -3.516 -3.075 1.00 0.42 C ATOM 882 CG1 ILE A 58 -0.321 -4.843 -2.816 1.00 0.53 C ATOM 883 CG2 ILE A 58 -2.328 -3.444 -2.288 1.00 0.43 C ATOM 884 CD1 ILE A 58 1.162 -4.697 -2.552 1.00 0.71 C ATOM 0 H ILE A 58 0.749 -3.640 -4.887 1.00 0.41 H new ATOM 0 HA ILE A 58 -2.124 -3.998 -4.871 1.00 0.39 H new ATOM 0 HB ILE A 58 -0.380 -2.705 -2.744 1.00 0.42 H new ATOM 0 HG12 ILE A 58 -0.787 -5.333 -1.961 1.00 0.53 H new ATOM 0 HG13 ILE A 58 -0.466 -5.496 -3.676 1.00 0.53 H new ATOM 0 HG21 ILE A 58 -2.117 -3.568 -1.226 1.00 0.43 H new ATOM 0 HG22 ILE A 58 -2.801 -2.476 -2.454 1.00 0.43 H new ATOM 0 HG23 ILE A 58 -2.999 -4.237 -2.619 1.00 0.43 H new ATOM 0 HD11 ILE A 58 1.599 -5.680 -2.377 1.00 0.71 H new ATOM 0 HD12 ILE A 58 1.642 -4.236 -3.415 1.00 0.71 H new ATOM 0 HD13 ILE A 58 1.315 -4.070 -1.674 1.00 0.71 H new ATOM 896 N LEU A 59 -0.744 -1.115 -5.352 1.00 0.44 N ATOM 897 CA LEU A 59 -0.984 0.293 -5.655 1.00 0.49 C ATOM 898 C LEU A 59 -1.964 0.437 -6.817 1.00 0.52 C ATOM 899 O LEU A 59 -2.965 1.142 -6.710 1.00 0.56 O ATOM 900 CB LEU A 59 0.345 0.989 -5.988 1.00 0.58 C ATOM 901 CG LEU A 59 0.344 2.519 -5.881 1.00 0.88 C ATOM 902 CD1 LEU A 59 1.765 3.053 -5.951 1.00 1.39 C ATOM 903 CD2 LEU A 59 -0.505 3.144 -6.980 1.00 1.71 C ATOM 0 H LEU A 59 0.203 -1.434 -5.557 1.00 0.44 H new ATOM 0 HA LEU A 59 -1.425 0.768 -4.778 1.00 0.49 H new ATOM 0 HB2 LEU A 59 1.115 0.598 -5.323 1.00 0.58 H new ATOM 0 HB3 LEU A 59 0.632 0.715 -7.003 1.00 0.58 H new ATOM 0 HG LEU A 59 -0.091 2.790 -4.919 1.00 0.88 H new ATOM 0 HD11 LEU A 59 1.749 4.140 -5.874 1.00 1.39 H new ATOM 0 HD12 LEU A 59 2.350 2.639 -5.130 1.00 1.39 H new ATOM 0 HD13 LEU A 59 2.216 2.763 -6.900 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -0.488 4.229 -6.880 1.00 1.71 H new ATOM 0 HD22 LEU A 59 -0.104 2.863 -7.954 1.00 1.71 H new ATOM 0 HD23 LEU A 59 -1.532 2.788 -6.894 1.00 1.71 H new ATOM 915 N LYS A 60 -1.667 -0.233 -7.926 1.00 0.59 N ATOM 916 CA LYS A 60 -2.522 -0.172 -9.107 1.00 0.68 C ATOM 917 C LYS A 60 -3.841 -0.902 -8.868 1.00 0.65 C ATOM 918 O LYS A 60 -4.811 -0.707 -9.601 1.00 0.74 O ATOM 919 CB LYS A 60 -1.796 -0.765 -10.318 1.00 0.80 C ATOM 920 CG LYS A 60 -1.389 -2.221 -10.143 1.00 0.92 C ATOM 921 CD LYS A 60 -2.465 -3.169 -10.648 1.00 1.07 C ATOM 922 CE LYS A 60 -2.010 -4.617 -10.579 1.00 1.10 C ATOM 923 NZ LYS A 60 -0.802 -4.860 -11.413 1.00 1.60 N ATOM 0 H LYS A 60 -0.842 -0.824 -8.032 1.00 0.59 H new ATOM 0 HA LYS A 60 -2.748 0.875 -9.309 1.00 0.68 H new ATOM 0 HB2 LYS A 60 -2.441 -0.681 -11.193 1.00 0.80 H new ATOM 0 HB3 LYS A 60 -0.905 -0.171 -10.521 1.00 0.80 H new ATOM 0 HG2 LYS A 60 -0.459 -2.406 -10.681 1.00 0.92 H new ATOM 0 HG3 LYS A 60 -1.193 -2.420 -9.089 1.00 0.92 H new ATOM 0 HD2 LYS A 60 -3.370 -3.043 -10.054 1.00 1.07 H new ATOM 0 HD3 LYS A 60 -2.721 -2.916 -11.677 1.00 1.07 H new ATOM 0 HE2 LYS A 60 -1.795 -4.881 -9.543 1.00 1.10 H new ATOM 0 HE3 LYS A 60 -2.818 -5.268 -10.913 1.00 1.10 H new ATOM 0 HZ1 LYS A 60 -0.701 -5.880 -11.588 1.00 1.60 H new ATOM 0 HZ2 LYS A 60 -0.900 -4.361 -12.320 1.00 1.60 H new ATOM 0 HZ3 LYS A 60 0.040 -4.509 -10.914 1.00 1.60 H new ATOM 937 N SER A 61 -3.869 -1.745 -7.843 1.00 0.55 N ATOM 938 CA SER A 61 -5.067 -2.509 -7.512 1.00 0.55 C ATOM 939 C SER A 61 -6.067 -1.667 -6.726 1.00 0.57 C ATOM 940 O SER A 61 -7.257 -1.657 -7.031 1.00 0.71 O ATOM 941 CB SER A 61 -4.693 -3.750 -6.702 1.00 0.51 C ATOM 942 OG SER A 61 -3.910 -4.647 -7.470 1.00 1.20 O ATOM 0 H SER A 61 -3.075 -1.917 -7.226 1.00 0.55 H new ATOM 0 HA SER A 61 -5.536 -2.811 -8.448 1.00 0.55 H new ATOM 0 HB2 SER A 61 -4.141 -3.453 -5.811 1.00 0.51 H new ATOM 0 HB3 SER A 61 -5.599 -4.253 -6.363 1.00 0.51 H new ATOM 0 HG SER A 61 -2.963 -4.406 -7.389 1.00 1.20 H new ATOM 948 N ILE A 62 -5.576 -0.972 -5.708 1.00 0.50 N ATOM 949 CA ILE A 62 -6.430 -0.142 -4.867 1.00 0.56 C ATOM 950 C ILE A 62 -6.663 1.246 -5.468 1.00 0.64 C ATOM 951 O ILE A 62 -7.779 1.762 -5.442 1.00 0.70 O ATOM 952 CB ILE A 62 -5.831 0.009 -3.455 1.00 0.55 C ATOM 953 CG1 ILE A 62 -5.689 -1.368 -2.801 1.00 0.54 C ATOM 954 CG2 ILE A 62 -6.698 0.928 -2.602 1.00 0.65 C ATOM 955 CD1 ILE A 62 -4.998 -1.340 -1.454 1.00 0.79 C ATOM 0 H ILE A 62 -4.591 -0.966 -5.444 1.00 0.50 H new ATOM 0 HA ILE A 62 -7.392 -0.651 -4.805 1.00 0.56 H new ATOM 0 HB ILE A 62 -4.842 0.460 -3.536 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -6.680 -1.806 -2.681 1.00 0.54 H new ATOM 0 HG13 ILE A 62 -5.131 -2.022 -3.471 1.00 0.54 H new ATOM 0 HG21 ILE A 62 -6.260 1.023 -1.609 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -6.755 1.911 -3.069 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -7.700 0.508 -2.518 1.00 0.65 H new ATOM 0 HD11 ILE A 62 -4.936 -2.353 -1.056 1.00 0.79 H new ATOM 0 HD12 ILE A 62 -3.993 -0.933 -1.569 1.00 0.79 H new ATOM 0 HD13 ILE A 62 -5.567 -0.714 -0.766 1.00 0.79 H new ATOM 967 N ALA A 63 -5.605 1.851 -5.994 1.00 0.68 N ATOM 968 CA ALA A 63 -5.700 3.188 -6.574 1.00 0.79 C ATOM 969 C ALA A 63 -6.180 3.177 -8.025 1.00 0.84 C ATOM 970 O ALA A 63 -7.235 3.726 -8.343 1.00 0.90 O ATOM 971 CB ALA A 63 -4.357 3.896 -6.473 1.00 0.88 C ATOM 0 H ALA A 63 -4.672 1.439 -6.032 1.00 0.68 H new ATOM 0 HA ALA A 63 -6.451 3.730 -5.998 1.00 0.79 H new ATOM 0 HB1 ALA A 63 -4.437 4.892 -6.908 1.00 0.88 H new ATOM 0 HB2 ALA A 63 -4.068 3.980 -5.425 1.00 0.88 H new ATOM 0 HB3 ALA A 63 -3.603 3.324 -7.013 1.00 0.88 H new ATOM 977 N SER A 64 -5.401 2.548 -8.901 1.00 0.88 N ATOM 978 CA SER A 64 -5.725 2.503 -10.328 1.00 1.00 C ATOM 979 C SER A 64 -6.928 1.614 -10.644 1.00 0.96 C ATOM 980 O SER A 64 -7.600 1.823 -11.654 1.00 1.11 O ATOM 981 CB SER A 64 -4.511 2.022 -11.122 1.00 1.13 C ATOM 982 OG SER A 64 -3.405 2.890 -10.939 1.00 1.56 O ATOM 0 H SER A 64 -4.540 2.062 -8.650 1.00 0.88 H new ATOM 0 HA SER A 64 -5.993 3.518 -10.620 1.00 1.00 H new ATOM 0 HB2 SER A 64 -4.242 1.014 -10.806 1.00 1.13 H new ATOM 0 HB3 SER A 64 -4.763 1.968 -12.181 1.00 1.13 H new ATOM 0 HG SER A 64 -2.641 2.560 -11.456 1.00 1.56 H new ATOM 988 N ALA A 65 -7.203 0.627 -9.797 1.00 0.84 N ATOM 989 CA ALA A 65 -8.322 -0.281 -10.043 1.00 0.84 C ATOM 990 C ALA A 65 -9.432 -0.132 -9.006 1.00 0.75 C ATOM 991 O ALA A 65 -10.612 -0.256 -9.334 1.00 0.82 O ATOM 992 CB ALA A 65 -7.831 -1.720 -10.088 1.00 0.83 C ATOM 0 H ALA A 65 -6.676 0.435 -8.945 1.00 0.84 H new ATOM 0 HA ALA A 65 -8.748 -0.012 -11.010 1.00 0.84 H new ATOM 0 HB1 ALA A 65 -8.674 -2.386 -10.272 1.00 0.83 H new ATOM 0 HB2 ALA A 65 -7.100 -1.830 -10.889 1.00 0.83 H new ATOM 0 HB3 ALA A 65 -7.367 -1.976 -9.136 1.00 0.83 H new ATOM 998 N ASP A 66 -9.053 0.131 -7.759 1.00 0.65 N ATOM 999 CA ASP A 66 -10.024 0.286 -6.678 1.00 0.65 C ATOM 1000 C ASP A 66 -10.846 -0.986 -6.505 1.00 0.66 C ATOM 1001 O ASP A 66 -11.844 -1.193 -7.197 1.00 1.01 O ATOM 1002 CB ASP A 66 -10.946 1.477 -6.949 1.00 0.75 C ATOM 1003 CG ASP A 66 -11.923 1.720 -5.817 1.00 1.05 C ATOM 1004 OD1 ASP A 66 -13.013 1.109 -5.831 1.00 1.53 O ATOM 1005 OD2 ASP A 66 -11.600 2.521 -4.915 1.00 1.08 O ATOM 0 H ASP A 66 -8.081 0.241 -7.471 1.00 0.65 H new ATOM 0 HA ASP A 66 -9.475 0.473 -5.755 1.00 0.65 H new ATOM 0 HB2 ASP A 66 -10.343 2.372 -7.103 1.00 0.75 H new ATOM 0 HB3 ASP A 66 -11.499 1.302 -7.872 1.00 0.75 H new ATOM 1010 N MET A 67 -10.419 -1.838 -5.577 1.00 0.55 N ATOM 1011 CA MET A 67 -11.109 -3.097 -5.317 1.00 0.55 C ATOM 1012 C MET A 67 -11.738 -3.107 -3.929 1.00 0.65 C ATOM 1013 O MET A 67 -11.625 -2.142 -3.174 1.00 0.81 O ATOM 1014 CB MET A 67 -10.133 -4.266 -5.450 1.00 0.49 C ATOM 1015 CG MET A 67 -9.484 -4.367 -6.819 1.00 0.49 C ATOM 1016 SD MET A 67 -10.637 -4.909 -8.095 1.00 1.00 S ATOM 1017 CE MET A 67 -9.547 -5.027 -9.510 1.00 1.52 C ATOM 0 H MET A 67 -9.598 -1.679 -4.993 1.00 0.55 H new ATOM 0 HA MET A 67 -11.906 -3.201 -6.053 1.00 0.55 H new ATOM 0 HB2 MET A 67 -9.354 -4.165 -4.695 1.00 0.49 H new ATOM 0 HB3 MET A 67 -10.662 -5.195 -5.239 1.00 0.49 H new ATOM 0 HG2 MET A 67 -9.073 -3.396 -7.095 1.00 0.49 H new ATOM 0 HG3 MET A 67 -8.648 -5.065 -6.770 1.00 0.49 H new ATOM 0 HE1 MET A 67 -10.025 -4.571 -10.377 1.00 1.52 H new ATOM 0 HE2 MET A 67 -8.614 -4.506 -9.295 1.00 1.52 H new ATOM 0 HE3 MET A 67 -9.337 -6.076 -9.721 1.00 1.52 H new ATOM 1027 N ASP A 68 -12.402 -4.213 -3.602 1.00 0.64 N ATOM 1028 CA ASP A 68 -13.051 -4.367 -2.306 1.00 0.77 C ATOM 1029 C ASP A 68 -12.514 -5.598 -1.582 1.00 0.67 C ATOM 1030 O ASP A 68 -11.527 -6.197 -2.012 1.00 1.22 O ATOM 1031 CB ASP A 68 -14.566 -4.482 -2.482 1.00 1.02 C ATOM 1032 CG ASP A 68 -15.170 -3.239 -3.107 1.00 1.55 C ATOM 1033 OD1 ASP A 68 -15.148 -3.131 -4.351 1.00 1.92 O ATOM 1034 OD2 ASP A 68 -15.666 -2.376 -2.354 1.00 1.91 O ATOM 0 H ASP A 68 -12.504 -5.018 -4.220 1.00 0.64 H new ATOM 0 HA ASP A 68 -12.831 -3.485 -1.704 1.00 0.77 H new ATOM 0 HB2 ASP A 68 -14.792 -5.346 -3.106 1.00 1.02 H new ATOM 0 HB3 ASP A 68 -15.030 -4.660 -1.512 1.00 1.02 H new ATOM 1039 N PHE A 69 -13.163 -5.971 -0.485 1.00 0.74 N ATOM 1040 CA PHE A 69 -12.741 -7.130 0.292 1.00 0.83 C ATOM 1041 C PHE A 69 -13.045 -8.426 -0.455 1.00 0.99 C ATOM 1042 O PHE A 69 -13.865 -8.444 -1.373 1.00 1.85 O ATOM 1043 CB PHE A 69 -13.427 -7.137 1.660 1.00 1.00 C ATOM 1044 CG PHE A 69 -14.911 -7.367 1.592 1.00 1.45 C ATOM 1045 CD1 PHE A 69 -15.775 -6.326 1.292 1.00 2.08 C ATOM 1046 CD2 PHE A 69 -15.440 -8.624 1.831 1.00 1.82 C ATOM 1047 CE1 PHE A 69 -17.139 -6.536 1.230 1.00 2.91 C ATOM 1048 CE2 PHE A 69 -16.804 -8.841 1.771 1.00 2.52 C ATOM 1049 CZ PHE A 69 -17.655 -7.795 1.470 1.00 3.05 C ATOM 0 H PHE A 69 -13.982 -5.489 -0.114 1.00 0.74 H new ATOM 0 HA PHE A 69 -11.663 -7.063 0.440 1.00 0.83 H new ATOM 0 HB2 PHE A 69 -12.976 -7.913 2.278 1.00 1.00 H new ATOM 0 HB3 PHE A 69 -13.238 -6.185 2.156 1.00 1.00 H new ATOM 0 HD1 PHE A 69 -15.378 -5.339 1.105 1.00 2.08 H new ATOM 0 HD2 PHE A 69 -14.779 -9.445 2.067 1.00 1.82 H new ATOM 0 HE1 PHE A 69 -17.802 -5.716 0.994 1.00 2.91 H new ATOM 0 HE2 PHE A 69 -17.204 -9.827 1.959 1.00 2.52 H new ATOM 0 HZ PHE A 69 -18.721 -7.961 1.422 1.00 3.05 H new ATOM 1059 N ASN A 70 -12.367 -9.503 -0.056 1.00 0.86 N ATOM 1060 CA ASN A 70 -12.547 -10.817 -0.672 1.00 0.89 C ATOM 1061 C ASN A 70 -12.007 -10.842 -2.102 1.00 0.83 C ATOM 1062 O ASN A 70 -11.893 -11.906 -2.711 1.00 1.09 O ATOM 1063 CB ASN A 70 -14.024 -11.226 -0.654 1.00 1.03 C ATOM 1064 CG ASN A 70 -14.236 -12.660 -1.098 1.00 1.77 C ATOM 1065 OD1 ASN A 70 -14.408 -12.936 -2.285 1.00 2.50 O ATOM 1066 ND2 ASN A 70 -14.224 -13.583 -0.143 1.00 2.40 N ATOM 0 H ASN A 70 -11.681 -9.489 0.699 1.00 0.86 H new ATOM 0 HA ASN A 70 -11.977 -11.537 -0.084 1.00 0.89 H new ATOM 0 HB2 ASN A 70 -14.420 -11.099 0.353 1.00 1.03 H new ATOM 0 HB3 ASN A 70 -14.590 -10.560 -1.306 1.00 1.03 H new ATOM 0 HD21 ASN A 70 -14.361 -14.565 -0.381 1.00 2.40 H new ATOM 0 HD22 ASN A 70 -14.078 -13.310 0.829 1.00 2.40 H new ATOM 1073 N GLN A 71 -11.674 -9.668 -2.634 1.00 0.69 N ATOM 1074 CA GLN A 71 -11.140 -9.566 -3.987 1.00 0.68 C ATOM 1075 C GLN A 71 -9.618 -9.475 -3.958 1.00 0.58 C ATOM 1076 O GLN A 71 -8.932 -10.118 -4.754 1.00 0.72 O ATOM 1077 CB GLN A 71 -11.721 -8.344 -4.698 1.00 0.74 C ATOM 1078 CG GLN A 71 -13.238 -8.345 -4.767 1.00 0.88 C ATOM 1079 CD GLN A 71 -13.786 -7.169 -5.553 1.00 1.32 C ATOM 1080 OE1 GLN A 71 -13.145 -6.672 -6.479 1.00 1.79 O ATOM 1081 NE2 GLN A 71 -14.980 -6.716 -5.185 1.00 1.90 N ATOM 0 H GLN A 71 -11.765 -8.776 -2.148 1.00 0.69 H new ATOM 0 HA GLN A 71 -11.426 -10.464 -4.535 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -11.390 -7.443 -4.183 1.00 0.74 H new ATOM 0 HB3 GLN A 71 -11.320 -8.298 -5.710 1.00 0.74 H new ATOM 0 HG2 GLN A 71 -13.577 -9.274 -5.226 1.00 0.88 H new ATOM 0 HG3 GLN A 71 -13.644 -8.323 -3.756 1.00 0.88 H new ATOM 0 HE21 GLN A 71 -15.477 -7.158 -4.412 1.00 1.90 H new ATOM 0 HE22 GLN A 71 -15.399 -5.927 -5.676 1.00 1.90 H new ATOM 1090 N LEU A 72 -9.097 -8.674 -3.034 1.00 0.45 N ATOM 1091 CA LEU A 72 -7.655 -8.502 -2.896 1.00 0.39 C ATOM 1092 C LEU A 72 -7.060 -9.606 -2.030 1.00 0.41 C ATOM 1093 O LEU A 72 -5.869 -9.906 -2.121 1.00 0.41 O ATOM 1094 CB LEU A 72 -7.332 -7.140 -2.278 1.00 0.40 C ATOM 1095 CG LEU A 72 -7.841 -5.924 -3.048 1.00 0.52 C ATOM 1096 CD1 LEU A 72 -7.618 -4.661 -2.232 1.00 1.10 C ATOM 1097 CD2 LEU A 72 -7.147 -5.816 -4.398 1.00 1.06 C ATOM 0 H LEU A 72 -9.652 -8.134 -2.370 1.00 0.45 H new ATOM 0 HA LEU A 72 -7.216 -8.556 -3.892 1.00 0.39 H new ATOM 0 HB2 LEU A 72 -7.750 -7.110 -1.272 1.00 0.40 H new ATOM 0 HB3 LEU A 72 -6.250 -7.055 -2.176 1.00 0.40 H new ATOM 0 HG LEU A 72 -8.910 -6.044 -3.224 1.00 0.52 H new ATOM 0 HD11 LEU A 72 -7.984 -3.799 -2.789 1.00 1.10 H new ATOM 0 HD12 LEU A 72 -8.157 -4.738 -1.288 1.00 1.10 H new ATOM 0 HD13 LEU A 72 -6.553 -4.539 -2.034 1.00 1.10 H new ATOM 0 HD21 LEU A 72 -7.523 -4.943 -4.932 1.00 1.06 H new ATOM 0 HD22 LEU A 72 -6.072 -5.714 -4.247 1.00 1.06 H new ATOM 0 HD23 LEU A 72 -7.348 -6.713 -4.983 1.00 1.06 H new ATOM 1109 N GLU A 73 -7.898 -10.199 -1.185 1.00 0.49 N ATOM 1110 CA GLU A 73 -7.465 -11.273 -0.294 1.00 0.57 C ATOM 1111 C GLU A 73 -6.711 -12.352 -1.065 1.00 0.59 C ATOM 1112 O GLU A 73 -5.688 -12.858 -0.602 1.00 0.68 O ATOM 1113 CB GLU A 73 -8.670 -11.886 0.423 1.00 0.67 C ATOM 1114 CG GLU A 73 -8.312 -13.043 1.341 1.00 0.75 C ATOM 1115 CD GLU A 73 -7.365 -12.637 2.454 1.00 1.45 C ATOM 1116 OE1 GLU A 73 -6.144 -12.575 2.200 1.00 2.25 O ATOM 1117 OE2 GLU A 73 -7.844 -12.382 3.578 1.00 1.76 O ATOM 0 H GLU A 73 -8.884 -9.954 -1.098 1.00 0.49 H new ATOM 0 HA GLU A 73 -6.789 -10.846 0.447 1.00 0.57 H new ATOM 0 HB2 GLU A 73 -9.167 -11.111 1.007 1.00 0.67 H new ATOM 0 HB3 GLU A 73 -9.387 -12.233 -0.322 1.00 0.67 H new ATOM 0 HG2 GLU A 73 -9.224 -13.451 1.777 1.00 0.75 H new ATOM 0 HG3 GLU A 73 -7.855 -13.839 0.754 1.00 0.75 H new ATOM 1124 N ALA A 74 -7.224 -12.701 -2.239 1.00 0.62 N ATOM 1125 CA ALA A 74 -6.600 -13.717 -3.074 1.00 0.70 C ATOM 1126 C ALA A 74 -5.466 -13.120 -3.899 1.00 0.57 C ATOM 1127 O ALA A 74 -4.610 -13.843 -4.412 1.00 0.60 O ATOM 1128 CB ALA A 74 -7.633 -14.366 -3.982 1.00 0.89 C ATOM 0 H ALA A 74 -8.072 -12.294 -2.634 1.00 0.62 H new ATOM 0 HA ALA A 74 -6.180 -14.483 -2.422 1.00 0.70 H new ATOM 0 HB1 ALA A 74 -7.150 -15.123 -4.600 1.00 0.89 H new ATOM 0 HB2 ALA A 74 -8.408 -14.833 -3.375 1.00 0.89 H new ATOM 0 HB3 ALA A 74 -8.082 -13.607 -4.623 1.00 0.89 H new ATOM 1134 N PHE A 75 -5.466 -11.796 -4.023 1.00 0.49 N ATOM 1135 CA PHE A 75 -4.438 -11.096 -4.785 1.00 0.46 C ATOM 1136 C PHE A 75 -3.112 -11.076 -4.035 1.00 0.38 C ATOM 1137 O PHE A 75 -2.046 -11.139 -4.647 1.00 0.47 O ATOM 1138 CB PHE A 75 -4.886 -9.667 -5.097 1.00 0.55 C ATOM 1139 CG PHE A 75 -3.803 -8.810 -5.689 1.00 0.63 C ATOM 1140 CD1 PHE A 75 -3.531 -8.856 -7.047 1.00 0.76 C ATOM 1141 CD2 PHE A 75 -3.057 -7.960 -4.887 1.00 0.67 C ATOM 1142 CE1 PHE A 75 -2.536 -8.070 -7.594 1.00 0.88 C ATOM 1143 CE2 PHE A 75 -2.060 -7.172 -5.429 1.00 0.82 C ATOM 1144 CZ PHE A 75 -1.799 -7.227 -6.785 1.00 0.91 C ATOM 0 H PHE A 75 -6.168 -11.186 -3.605 1.00 0.49 H new ATOM 0 HA PHE A 75 -4.291 -11.635 -5.721 1.00 0.46 H new ATOM 0 HB2 PHE A 75 -5.728 -9.702 -5.789 1.00 0.55 H new ATOM 0 HB3 PHE A 75 -5.246 -9.200 -4.180 1.00 0.55 H new ATOM 0 HD1 PHE A 75 -4.103 -9.514 -7.684 1.00 0.76 H new ATOM 0 HD2 PHE A 75 -3.257 -7.913 -3.827 1.00 0.67 H new ATOM 0 HE1 PHE A 75 -2.334 -8.114 -8.654 1.00 0.88 H new ATOM 0 HE2 PHE A 75 -1.485 -6.514 -4.794 1.00 0.82 H new ATOM 0 HZ PHE A 75 -1.020 -6.612 -7.211 1.00 0.91 H new ATOM 1154 N LEU A 76 -3.180 -10.983 -2.714 1.00 0.33 N ATOM 1155 CA LEU A 76 -1.973 -10.948 -1.900 1.00 0.36 C ATOM 1156 C LEU A 76 -1.150 -12.214 -2.065 1.00 0.40 C ATOM 1157 O LEU A 76 0.070 -12.194 -1.891 1.00 0.60 O ATOM 1158 CB LEU A 76 -2.304 -10.739 -0.437 1.00 0.43 C ATOM 1159 CG LEU A 76 -1.237 -9.956 0.307 1.00 0.55 C ATOM 1160 CD1 LEU A 76 -1.621 -8.496 0.396 1.00 0.82 C ATOM 1161 CD2 LEU A 76 -1.003 -10.542 1.677 1.00 0.80 C ATOM 0 H LEU A 76 -4.051 -10.931 -2.186 1.00 0.33 H new ATOM 0 HA LEU A 76 -1.380 -10.103 -2.250 1.00 0.36 H new ATOM 0 HB2 LEU A 76 -3.255 -10.213 -0.357 1.00 0.43 H new ATOM 0 HB3 LEU A 76 -2.435 -11.709 0.042 1.00 0.43 H new ATOM 0 HG LEU A 76 -0.302 -10.027 -0.249 1.00 0.55 H new ATOM 0 HD11 LEU A 76 -0.846 -7.948 0.932 1.00 0.82 H new ATOM 0 HD12 LEU A 76 -1.727 -8.086 -0.608 1.00 0.82 H new ATOM 0 HD13 LEU A 76 -2.567 -8.400 0.928 1.00 0.82 H new ATOM 0 HD21 LEU A 76 -0.235 -9.966 2.193 1.00 0.80 H new ATOM 0 HD22 LEU A 76 -1.929 -10.507 2.251 1.00 0.80 H new ATOM 0 HD23 LEU A 76 -0.676 -11.577 1.579 1.00 0.80 H new ATOM 1173 N THR A 77 -1.811 -13.318 -2.393 1.00 0.41 N ATOM 1174 CA THR A 77 -1.112 -14.575 -2.590 1.00 0.49 C ATOM 1175 C THR A 77 -0.080 -14.407 -3.692 1.00 0.47 C ATOM 1176 O THR A 77 0.929 -15.109 -3.735 1.00 0.53 O ATOM 1177 CB THR A 77 -2.082 -15.713 -2.965 1.00 0.63 C ATOM 1178 OG1 THR A 77 -3.267 -15.630 -2.164 1.00 0.73 O ATOM 1179 CG2 THR A 77 -1.426 -17.071 -2.761 1.00 0.71 C ATOM 0 H THR A 77 -2.821 -13.365 -2.526 1.00 0.41 H new ATOM 0 HA THR A 77 -0.626 -14.843 -1.652 1.00 0.49 H new ATOM 0 HB THR A 77 -2.344 -15.605 -4.017 1.00 0.63 H new ATOM 0 HG1 THR A 77 -3.927 -15.062 -2.614 1.00 0.73 H new ATOM 0 HG21 THR A 77 -2.129 -17.859 -3.032 1.00 0.71 H new ATOM 0 HG22 THR A 77 -0.539 -17.144 -3.390 1.00 0.71 H new ATOM 0 HG23 THR A 77 -1.140 -17.184 -1.715 1.00 0.71 H new ATOM 1187 N ALA A 78 -0.346 -13.444 -4.573 1.00 0.45 N ATOM 1188 CA ALA A 78 0.542 -13.139 -5.686 1.00 0.52 C ATOM 1189 C ALA A 78 1.786 -12.406 -5.202 1.00 0.53 C ATOM 1190 O ALA A 78 2.865 -12.538 -5.779 1.00 0.67 O ATOM 1191 CB ALA A 78 -0.193 -12.299 -6.722 1.00 0.60 C ATOM 0 H ALA A 78 -1.180 -12.858 -4.533 1.00 0.45 H new ATOM 0 HA ALA A 78 0.856 -14.077 -6.144 1.00 0.52 H new ATOM 0 HB1 ALA A 78 0.478 -12.075 -7.551 1.00 0.60 H new ATOM 0 HB2 ALA A 78 -1.056 -12.852 -7.093 1.00 0.60 H new ATOM 0 HB3 ALA A 78 -0.528 -11.368 -6.265 1.00 0.60 H new ATOM 1197 N GLN A 79 1.624 -11.631 -4.135 1.00 0.47 N ATOM 1198 CA GLN A 79 2.725 -10.868 -3.562 1.00 0.53 C ATOM 1199 C GLN A 79 3.670 -11.769 -2.779 1.00 0.54 C ATOM 1200 O GLN A 79 4.769 -11.359 -2.407 1.00 1.06 O ATOM 1201 CB GLN A 79 2.185 -9.779 -2.640 1.00 0.56 C ATOM 1202 CG GLN A 79 1.128 -8.901 -3.285 1.00 0.96 C ATOM 1203 CD GLN A 79 0.374 -8.064 -2.275 1.00 1.23 C ATOM 1204 OE1 GLN A 79 1.055 -7.681 -1.201 1.00 2.20 O flip ATOM 1205 NE2 GLN A 79 -0.805 -7.764 -2.458 1.00 0.61 N flip ATOM 0 H GLN A 79 0.735 -11.515 -3.648 1.00 0.47 H new ATOM 0 HA GLN A 79 3.279 -10.413 -4.383 1.00 0.53 H new ATOM 0 HB2 GLN A 79 1.763 -10.245 -1.750 1.00 0.56 H new ATOM 0 HB3 GLN A 79 3.013 -9.152 -2.309 1.00 0.56 H new ATOM 0 HG2 GLN A 79 1.602 -8.244 -4.015 1.00 0.96 H new ATOM 0 HG3 GLN A 79 0.423 -9.528 -3.831 1.00 0.96 H new ATOM 0 HE21 GLN A 79 -1.287 -8.081 -3.299 1.00 0.61 H new ATOM 0 HE22 GLN A 79 -1.300 -7.198 -1.769 1.00 0.61 H new ATOM 1214 N THR A 80 3.234 -12.998 -2.532 1.00 0.63 N ATOM 1215 CA THR A 80 4.035 -13.949 -1.777 1.00 0.65 C ATOM 1216 C THR A 80 4.489 -15.121 -2.647 1.00 0.64 C ATOM 1217 O THR A 80 5.074 -16.083 -2.148 1.00 0.73 O ATOM 1218 CB THR A 80 3.249 -14.489 -0.565 1.00 0.77 C ATOM 1219 OG1 THR A 80 2.081 -15.189 -1.012 1.00 1.31 O ATOM 1220 CG2 THR A 80 2.839 -13.352 0.364 1.00 0.44 C ATOM 0 H THR A 80 2.332 -13.358 -2.843 1.00 0.63 H new ATOM 0 HA THR A 80 4.918 -13.413 -1.427 1.00 0.65 H new ATOM 0 HB THR A 80 3.895 -15.173 -0.015 1.00 0.77 H new ATOM 0 HG1 THR A 80 1.974 -15.063 -1.978 1.00 1.31 H new ATOM 0 HG21 THR A 80 2.286 -13.756 1.212 1.00 0.44 H new ATOM 0 HG22 THR A 80 3.730 -12.837 0.724 1.00 0.44 H new ATOM 0 HG23 THR A 80 2.208 -12.648 -0.179 1.00 0.44 H new ATOM 1228 N LYS A 81 4.219 -15.036 -3.949 1.00 0.68 N ATOM 1229 CA LYS A 81 4.612 -16.094 -4.880 1.00 0.71 C ATOM 1230 C LYS A 81 5.432 -15.528 -6.035 1.00 0.69 C ATOM 1231 O LYS A 81 6.169 -16.257 -6.698 1.00 0.81 O ATOM 1232 CB LYS A 81 3.380 -16.821 -5.423 1.00 0.76 C ATOM 1233 CG LYS A 81 2.427 -15.917 -6.186 1.00 1.54 C ATOM 1234 CD LYS A 81 1.236 -16.680 -6.756 1.00 1.55 C ATOM 1235 CE LYS A 81 0.514 -17.495 -5.692 1.00 2.12 C ATOM 1236 NZ LYS A 81 -0.664 -18.217 -6.250 1.00 3.02 N ATOM 0 H LYS A 81 3.733 -14.251 -4.382 1.00 0.68 H new ATOM 0 HA LYS A 81 5.229 -16.806 -4.333 1.00 0.71 H new ATOM 0 HB2 LYS A 81 3.705 -17.629 -6.079 1.00 0.76 H new ATOM 0 HB3 LYS A 81 2.845 -17.281 -4.592 1.00 0.76 H new ATOM 0 HG2 LYS A 81 2.068 -15.130 -5.523 1.00 1.54 H new ATOM 0 HG3 LYS A 81 2.965 -15.429 -6.998 1.00 1.54 H new ATOM 0 HD2 LYS A 81 0.538 -15.976 -7.208 1.00 1.55 H new ATOM 0 HD3 LYS A 81 1.578 -17.344 -7.550 1.00 1.55 H new ATOM 0 HE2 LYS A 81 1.206 -18.214 -5.253 1.00 2.12 H new ATOM 0 HE3 LYS A 81 0.188 -16.835 -4.888 1.00 2.12 H new ATOM 0 HZ1 LYS A 81 -1.128 -18.760 -5.494 1.00 3.02 H new ATOM 0 HZ2 LYS A 81 -1.337 -17.530 -6.646 1.00 3.02 H new ATOM 0 HZ3 LYS A 81 -0.350 -18.866 -7.000 1.00 3.02 H new ATOM 1250 N LYS A 82 5.296 -14.226 -6.275 1.00 0.66 N ATOM 1251 CA LYS A 82 6.028 -13.565 -7.352 1.00 0.74 C ATOM 1252 C LYS A 82 7.532 -13.733 -7.162 1.00 0.78 C ATOM 1253 O LYS A 82 7.983 -14.176 -6.106 1.00 0.83 O ATOM 1254 CB LYS A 82 5.673 -12.075 -7.403 1.00 0.72 C ATOM 1255 CG LYS A 82 6.131 -11.298 -6.181 1.00 0.67 C ATOM 1256 CD LYS A 82 6.039 -9.796 -6.405 1.00 0.77 C ATOM 1257 CE LYS A 82 4.633 -9.279 -6.159 1.00 0.76 C ATOM 1258 NZ LYS A 82 4.484 -7.857 -6.572 1.00 1.09 N ATOM 0 H LYS A 82 4.686 -13.609 -5.739 1.00 0.66 H new ATOM 0 HA LYS A 82 5.740 -14.031 -8.295 1.00 0.74 H new ATOM 0 HB2 LYS A 82 6.122 -11.634 -8.293 1.00 0.72 H new ATOM 0 HB3 LYS A 82 4.593 -11.971 -7.505 1.00 0.72 H new ATOM 0 HG2 LYS A 82 5.520 -11.576 -5.322 1.00 0.67 H new ATOM 0 HG3 LYS A 82 7.159 -11.568 -5.942 1.00 0.67 H new ATOM 0 HD2 LYS A 82 6.736 -9.285 -5.741 1.00 0.77 H new ATOM 0 HD3 LYS A 82 6.340 -9.561 -7.426 1.00 0.77 H new ATOM 0 HE2 LYS A 82 3.919 -9.893 -6.708 1.00 0.76 H new ATOM 0 HE3 LYS A 82 4.390 -9.377 -5.101 1.00 0.76 H new ATOM 0 HZ1 LYS A 82 3.510 -7.542 -6.388 1.00 1.09 H new ATOM 0 HZ2 LYS A 82 5.147 -7.267 -6.030 1.00 1.09 H new ATOM 0 HZ3 LYS A 82 4.691 -7.767 -7.587 1.00 1.09 H new ATOM 1272 N GLN A 83 8.306 -13.383 -8.190 1.00 0.87 N ATOM 1273 CA GLN A 83 9.763 -13.492 -8.117 1.00 0.96 C ATOM 1274 C GLN A 83 10.289 -12.807 -6.860 1.00 0.80 C ATOM 1275 O GLN A 83 10.461 -11.590 -6.823 1.00 0.80 O ATOM 1276 CB GLN A 83 10.434 -12.908 -9.372 1.00 1.22 C ATOM 1277 CG GLN A 83 9.680 -11.759 -10.033 1.00 1.37 C ATOM 1278 CD GLN A 83 9.479 -10.570 -9.115 1.00 1.96 C ATOM 1279 OE1 GLN A 83 8.362 -10.558 -8.397 1.00 2.49 O flip ATOM 1280 NE2 GLN A 83 10.317 -9.670 -9.054 1.00 2.57 N flip ATOM 0 H GLN A 83 7.952 -13.024 -9.077 1.00 0.87 H new ATOM 0 HA GLN A 83 10.015 -14.551 -8.068 1.00 0.96 H new ATOM 0 HB2 GLN A 83 11.432 -12.561 -9.103 1.00 1.22 H new ATOM 0 HB3 GLN A 83 10.561 -13.707 -10.103 1.00 1.22 H new ATOM 0 HG2 GLN A 83 10.226 -11.437 -10.920 1.00 1.37 H new ATOM 0 HG3 GLN A 83 8.708 -12.118 -10.371 1.00 1.37 H new ATOM 0 HE21 GLN A 83 11.162 -9.720 -9.624 1.00 2.57 H new ATOM 0 HE22 GLN A 83 10.167 -8.874 -8.434 1.00 2.57 H new ATOM 1289 N GLY A 84 10.544 -13.604 -5.828 1.00 0.98 N ATOM 1290 CA GLY A 84 11.025 -13.062 -4.573 1.00 1.14 C ATOM 1291 C GLY A 84 9.880 -12.588 -3.702 1.00 1.22 C ATOM 1292 O GLY A 84 9.660 -13.114 -2.610 1.00 2.05 O ATOM 0 H GLY A 84 10.426 -14.617 -5.839 1.00 0.98 H new ATOM 0 HA2 GLY A 84 11.598 -13.822 -4.042 1.00 1.14 H new ATOM 0 HA3 GLY A 84 11.703 -12.231 -4.769 1.00 1.14 H new ATOM 1296 N GLY A 85 9.146 -11.592 -4.194 1.00 0.69 N ATOM 1297 CA GLY A 85 8.013 -11.060 -3.463 1.00 0.69 C ATOM 1298 C GLY A 85 8.370 -10.611 -2.065 1.00 0.66 C ATOM 1299 O GLY A 85 9.545 -10.518 -1.711 1.00 0.91 O ATOM 0 H GLY A 85 9.320 -11.143 -5.093 1.00 0.69 H new ATOM 0 HA2 GLY A 85 7.596 -10.217 -4.014 1.00 0.69 H new ATOM 0 HA3 GLY A 85 7.234 -11.821 -3.407 1.00 0.69 H new ATOM 1303 N ILE A 86 7.346 -10.339 -1.269 1.00 0.49 N ATOM 1304 CA ILE A 86 7.538 -9.888 0.098 1.00 0.48 C ATOM 1305 C ILE A 86 7.545 -11.062 1.069 1.00 0.50 C ATOM 1306 O ILE A 86 7.322 -12.207 0.677 1.00 0.53 O ATOM 1307 CB ILE A 86 6.432 -8.899 0.502 1.00 0.45 C ATOM 1308 CG1 ILE A 86 5.061 -9.567 0.372 1.00 0.43 C ATOM 1309 CG2 ILE A 86 6.512 -7.651 -0.367 1.00 0.50 C ATOM 1310 CD1 ILE A 86 3.925 -8.734 0.919 1.00 0.45 C ATOM 0 H ILE A 86 6.369 -10.424 -1.550 1.00 0.49 H new ATOM 0 HA ILE A 86 8.505 -9.388 0.145 1.00 0.48 H new ATOM 0 HB ILE A 86 6.572 -8.604 1.542 1.00 0.45 H new ATOM 0 HG12 ILE A 86 4.869 -9.781 -0.679 1.00 0.43 H new ATOM 0 HG13 ILE A 86 5.082 -10.524 0.894 1.00 0.43 H new ATOM 0 HG21 ILE A 86 5.726 -6.954 -0.076 1.00 0.50 H new ATOM 0 HG22 ILE A 86 7.485 -7.177 -0.234 1.00 0.50 H new ATOM 0 HG23 ILE A 86 6.383 -7.927 -1.413 1.00 0.50 H new ATOM 0 HD11 ILE A 86 2.985 -9.272 0.792 1.00 0.45 H new ATOM 0 HD12 ILE A 86 4.093 -8.541 1.979 1.00 0.45 H new ATOM 0 HD13 ILE A 86 3.876 -7.787 0.381 1.00 0.45 H new ATOM 1322 N THR A 87 7.800 -10.767 2.337 1.00 0.52 N ATOM 1323 CA THR A 87 7.840 -11.795 3.368 1.00 0.57 C ATOM 1324 C THR A 87 6.541 -11.816 4.169 1.00 0.51 C ATOM 1325 O THR A 87 5.682 -10.952 3.991 1.00 0.48 O ATOM 1326 CB THR A 87 9.027 -11.573 4.325 1.00 0.64 C ATOM 1327 OG1 THR A 87 9.016 -12.560 5.364 1.00 1.18 O ATOM 1328 CG2 THR A 87 8.974 -10.182 4.936 1.00 1.27 C ATOM 0 H THR A 87 7.982 -9.823 2.676 1.00 0.52 H new ATOM 0 HA THR A 87 7.964 -12.754 2.865 1.00 0.57 H new ATOM 0 HB THR A 87 9.949 -11.666 3.751 1.00 0.64 H new ATOM 0 HG1 THR A 87 9.775 -12.411 5.965 1.00 1.18 H new ATOM 0 HG21 THR A 87 9.821 -10.047 5.608 1.00 1.27 H new ATOM 0 HG22 THR A 87 9.017 -9.435 4.144 1.00 1.27 H new ATOM 0 HG23 THR A 87 8.046 -10.065 5.495 1.00 1.27 H new ATOM 1336 N SER A 88 6.403 -12.804 5.047 1.00 0.56 N ATOM 1337 CA SER A 88 5.204 -12.932 5.870 1.00 0.53 C ATOM 1338 C SER A 88 5.011 -11.702 6.751 1.00 0.48 C ATOM 1339 O SER A 88 3.899 -11.416 7.197 1.00 0.48 O ATOM 1340 CB SER A 88 5.286 -14.189 6.738 1.00 0.62 C ATOM 1341 OG SER A 88 5.420 -15.353 5.939 1.00 1.53 O ATOM 0 H SER A 88 7.105 -13.527 5.207 1.00 0.56 H new ATOM 0 HA SER A 88 4.346 -13.015 5.203 1.00 0.53 H new ATOM 0 HB2 SER A 88 6.135 -14.111 7.417 1.00 0.62 H new ATOM 0 HB3 SER A 88 4.390 -14.268 7.354 1.00 0.62 H new ATOM 0 HG SER A 88 5.472 -16.142 6.517 1.00 1.53 H new ATOM 1347 N ASP A 89 6.098 -10.977 7.000 1.00 0.51 N ATOM 1348 CA ASP A 89 6.042 -9.776 7.825 1.00 0.51 C ATOM 1349 C ASP A 89 5.309 -8.654 7.096 1.00 0.44 C ATOM 1350 O ASP A 89 4.546 -7.901 7.701 1.00 0.45 O ATOM 1351 CB ASP A 89 7.453 -9.321 8.205 1.00 0.59 C ATOM 1352 CG ASP A 89 7.445 -8.098 9.100 1.00 1.48 C ATOM 1353 OD1 ASP A 89 7.368 -8.265 10.335 1.00 1.85 O ATOM 1354 OD2 ASP A 89 7.518 -6.971 8.565 1.00 2.34 O ATOM 0 H ASP A 89 7.027 -11.201 6.642 1.00 0.51 H new ATOM 0 HA ASP A 89 5.493 -10.015 8.735 1.00 0.51 H new ATOM 0 HB2 ASP A 89 7.970 -10.136 8.712 1.00 0.59 H new ATOM 0 HB3 ASP A 89 8.017 -9.101 7.299 1.00 0.59 H new ATOM 1359 N GLN A 90 5.547 -8.549 5.791 1.00 0.44 N ATOM 1360 CA GLN A 90 4.905 -7.524 4.976 1.00 0.42 C ATOM 1361 C GLN A 90 3.474 -7.922 4.628 1.00 0.39 C ATOM 1362 O GLN A 90 2.537 -7.154 4.842 1.00 0.52 O ATOM 1363 CB GLN A 90 5.703 -7.282 3.692 1.00 0.49 C ATOM 1364 CG GLN A 90 6.960 -6.452 3.902 1.00 0.59 C ATOM 1365 CD GLN A 90 7.598 -6.024 2.594 1.00 0.75 C ATOM 1366 OE1 GLN A 90 7.277 -4.966 2.051 1.00 1.63 O ATOM 1367 NE2 GLN A 90 8.508 -6.844 2.081 1.00 0.91 N ATOM 0 H GLN A 90 6.180 -9.162 5.276 1.00 0.44 H new ATOM 0 HA GLN A 90 4.878 -6.602 5.557 1.00 0.42 H new ATOM 0 HB2 GLN A 90 5.981 -8.244 3.260 1.00 0.49 H new ATOM 0 HB3 GLN A 90 5.063 -6.780 2.966 1.00 0.49 H new ATOM 0 HG2 GLN A 90 6.714 -5.567 4.489 1.00 0.59 H new ATOM 0 HG3 GLN A 90 7.680 -7.029 4.482 1.00 0.59 H new ATOM 0 HE21 GLN A 90 8.744 -7.711 2.564 1.00 0.91 H new ATOM 0 HE22 GLN A 90 8.971 -6.607 1.204 1.00 0.91 H new ATOM 1376 N ALA A 91 3.318 -9.130 4.094 1.00 0.37 N ATOM 1377 CA ALA A 91 2.006 -9.639 3.711 1.00 0.37 C ATOM 1378 C ALA A 91 1.022 -9.579 4.874 1.00 0.34 C ATOM 1379 O ALA A 91 -0.192 -9.604 4.674 1.00 0.40 O ATOM 1380 CB ALA A 91 2.130 -11.066 3.197 1.00 0.45 C ATOM 0 H ALA A 91 4.087 -9.776 3.916 1.00 0.37 H new ATOM 0 HA ALA A 91 1.618 -9.003 2.915 1.00 0.37 H new ATOM 0 HB1 ALA A 91 1.145 -11.437 2.914 1.00 0.45 H new ATOM 0 HB2 ALA A 91 2.788 -11.084 2.329 1.00 0.45 H new ATOM 0 HB3 ALA A 91 2.545 -11.700 3.980 1.00 0.45 H new ATOM 1386 N ALA A 92 1.551 -9.496 6.090 1.00 0.31 N ATOM 1387 CA ALA A 92 0.720 -9.431 7.285 1.00 0.33 C ATOM 1388 C ALA A 92 -0.056 -8.124 7.354 1.00 0.28 C ATOM 1389 O ALA A 92 -1.230 -8.112 7.716 1.00 0.34 O ATOM 1390 CB ALA A 92 1.576 -9.602 8.532 1.00 0.40 C ATOM 0 H ALA A 92 2.554 -9.472 6.273 1.00 0.31 H new ATOM 0 HA ALA A 92 -0.002 -10.246 7.233 1.00 0.33 H new ATOM 0 HB1 ALA A 92 0.943 -9.551 9.418 1.00 0.40 H new ATOM 0 HB2 ALA A 92 2.078 -10.569 8.499 1.00 0.40 H new ATOM 0 HB3 ALA A 92 2.322 -8.808 8.573 1.00 0.40 H new ATOM 1396 N VAL A 93 0.604 -7.024 7.004 1.00 0.26 N ATOM 1397 CA VAL A 93 -0.036 -5.716 7.042 1.00 0.30 C ATOM 1398 C VAL A 93 -0.783 -5.407 5.743 1.00 0.28 C ATOM 1399 O VAL A 93 -1.835 -4.769 5.766 1.00 0.35 O ATOM 1400 CB VAL A 93 0.986 -4.594 7.343 1.00 0.41 C ATOM 1401 CG1 VAL A 93 1.407 -3.865 6.077 1.00 0.43 C ATOM 1402 CG2 VAL A 93 0.413 -3.625 8.361 1.00 0.55 C ATOM 0 H VAL A 93 1.575 -7.013 6.693 1.00 0.26 H new ATOM 0 HA VAL A 93 -0.764 -5.751 7.852 1.00 0.30 H new ATOM 0 HB VAL A 93 1.880 -5.055 7.762 1.00 0.41 H new ATOM 0 HG11 VAL A 93 2.125 -3.084 6.328 1.00 0.43 H new ATOM 0 HG12 VAL A 93 1.866 -4.572 5.386 1.00 0.43 H new ATOM 0 HG13 VAL A 93 0.532 -3.416 5.608 1.00 0.43 H new ATOM 0 HG21 VAL A 93 1.141 -2.840 8.565 1.00 0.55 H new ATOM 0 HG22 VAL A 93 -0.500 -3.180 7.966 1.00 0.55 H new ATOM 0 HG23 VAL A 93 0.186 -4.159 9.284 1.00 0.55 H new ATOM 1412 N ILE A 94 -0.241 -5.861 4.611 1.00 0.24 N ATOM 1413 CA ILE A 94 -0.873 -5.607 3.320 1.00 0.25 C ATOM 1414 C ILE A 94 -2.191 -6.363 3.191 1.00 0.25 C ATOM 1415 O ILE A 94 -3.168 -5.817 2.699 1.00 0.28 O ATOM 1416 CB ILE A 94 0.039 -5.981 2.134 1.00 0.30 C ATOM 1417 CG1 ILE A 94 1.455 -5.443 2.346 1.00 0.40 C ATOM 1418 CG2 ILE A 94 -0.544 -5.430 0.835 1.00 0.31 C ATOM 1419 CD1 ILE A 94 2.387 -5.707 1.179 1.00 0.52 C ATOM 0 H ILE A 94 0.624 -6.400 4.564 1.00 0.24 H new ATOM 0 HA ILE A 94 -1.061 -4.534 3.284 1.00 0.25 H new ATOM 0 HB ILE A 94 0.093 -7.068 2.069 1.00 0.30 H new ATOM 0 HG12 ILE A 94 1.404 -4.369 2.523 1.00 0.40 H new ATOM 0 HG13 ILE A 94 1.875 -5.894 3.245 1.00 0.40 H new ATOM 0 HG21 ILE A 94 0.106 -5.698 0.002 1.00 0.31 H new ATOM 0 HG22 ILE A 94 -1.535 -5.853 0.673 1.00 0.31 H new ATOM 0 HG23 ILE A 94 -0.619 -4.345 0.902 1.00 0.31 H new ATOM 0 HD11 ILE A 94 3.373 -5.297 1.401 1.00 0.52 H new ATOM 0 HD12 ILE A 94 2.469 -6.781 1.015 1.00 0.52 H new ATOM 0 HD13 ILE A 94 1.990 -5.232 0.282 1.00 0.52 H new ATOM 1431 N SER A 95 -2.210 -7.622 3.627 1.00 0.27 N ATOM 1432 CA SER A 95 -3.422 -8.446 3.567 1.00 0.34 C ATOM 1433 C SER A 95 -4.597 -7.758 4.259 1.00 0.39 C ATOM 1434 O SER A 95 -5.753 -8.144 4.083 1.00 0.47 O ATOM 1435 CB SER A 95 -3.173 -9.803 4.227 1.00 0.40 C ATOM 1436 OG SER A 95 -4.295 -10.656 4.082 1.00 0.49 O ATOM 0 H SER A 95 -1.400 -8.096 4.026 1.00 0.27 H new ATOM 0 HA SER A 95 -3.672 -8.588 2.516 1.00 0.34 H new ATOM 0 HB2 SER A 95 -2.296 -10.272 3.781 1.00 0.40 H new ATOM 0 HB3 SER A 95 -2.955 -9.661 5.285 1.00 0.40 H new ATOM 0 HG SER A 95 -5.118 -10.128 4.151 1.00 0.49 H new ATOM 1442 N LYS A 96 -4.285 -6.744 5.051 1.00 0.38 N ATOM 1443 CA LYS A 96 -5.287 -6.003 5.808 1.00 0.46 C ATOM 1444 C LYS A 96 -5.859 -4.831 5.006 1.00 0.45 C ATOM 1445 O LYS A 96 -6.689 -4.072 5.508 1.00 0.53 O ATOM 1446 CB LYS A 96 -4.657 -5.509 7.109 1.00 0.50 C ATOM 1447 CG LYS A 96 -3.745 -6.540 7.744 1.00 0.57 C ATOM 1448 CD LYS A 96 -3.137 -6.040 9.041 1.00 0.80 C ATOM 1449 CE LYS A 96 -4.152 -6.040 10.171 1.00 1.32 C ATOM 1450 NZ LYS A 96 -4.676 -7.406 10.445 1.00 2.12 N ATOM 0 H LYS A 96 -3.331 -6.410 5.188 1.00 0.38 H new ATOM 0 HA LYS A 96 -6.121 -6.670 6.028 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -4.089 -4.600 6.911 1.00 0.50 H new ATOM 0 HB3 LYS A 96 -5.446 -5.245 7.813 1.00 0.50 H new ATOM 0 HG2 LYS A 96 -4.309 -7.453 7.936 1.00 0.57 H new ATOM 0 HG3 LYS A 96 -2.948 -6.798 7.046 1.00 0.57 H new ATOM 0 HD2 LYS A 96 -2.289 -6.669 9.313 1.00 0.80 H new ATOM 0 HD3 LYS A 96 -2.752 -5.031 8.897 1.00 0.80 H new ATOM 0 HE2 LYS A 96 -3.690 -5.640 11.074 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -4.979 -5.378 9.916 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -5.039 -7.450 11.419 1.00 2.12 H new ATOM 0 HZ2 LYS A 96 -5.445 -7.623 9.779 1.00 2.12 H new ATOM 0 HZ3 LYS A 96 -3.911 -8.101 10.329 1.00 2.12 H new ATOM 1464 N PHE A 97 -5.404 -4.691 3.765 1.00 0.39 N ATOM 1465 CA PHE A 97 -5.841 -3.604 2.884 1.00 0.40 C ATOM 1466 C PHE A 97 -7.363 -3.403 2.849 1.00 0.48 C ATOM 1467 O PHE A 97 -7.822 -2.327 2.466 1.00 0.56 O ATOM 1468 CB PHE A 97 -5.312 -3.793 1.448 1.00 0.37 C ATOM 1469 CG PHE A 97 -5.238 -5.221 0.945 1.00 0.37 C ATOM 1470 CD1 PHE A 97 -5.987 -6.211 1.567 1.00 0.43 C ATOM 1471 CD2 PHE A 97 -4.444 -5.578 -0.135 1.00 0.42 C ATOM 1472 CE1 PHE A 97 -5.945 -7.520 1.122 1.00 0.50 C ATOM 1473 CE2 PHE A 97 -4.403 -6.884 -0.585 1.00 0.50 C ATOM 1474 CZ PHE A 97 -5.053 -7.834 0.001 1.00 0.53 C ATOM 0 H PHE A 97 -4.725 -5.322 3.340 1.00 0.39 H new ATOM 0 HA PHE A 97 -5.410 -2.702 3.318 1.00 0.40 H new ATOM 0 HB2 PHE A 97 -5.948 -3.224 0.771 1.00 0.37 H new ATOM 0 HB3 PHE A 97 -4.315 -3.357 1.390 1.00 0.37 H new ATOM 0 HD1 PHE A 97 -6.611 -5.955 2.410 1.00 0.43 H new ATOM 0 HD2 PHE A 97 -3.850 -4.825 -0.631 1.00 0.42 H new ATOM 0 HE1 PHE A 97 -6.549 -8.286 1.585 1.00 0.50 H new ATOM 0 HE2 PHE A 97 -3.808 -7.118 -1.455 1.00 0.50 H new ATOM 0 HZ PHE A 97 -4.940 -8.855 -0.333 1.00 0.53 H new ATOM 1484 N TRP A 98 -8.154 -4.407 3.239 1.00 0.52 N ATOM 1485 CA TRP A 98 -9.612 -4.242 3.211 1.00 0.63 C ATOM 1486 C TRP A 98 -10.266 -4.453 4.576 1.00 0.69 C ATOM 1487 O TRP A 98 -11.429 -4.098 4.760 1.00 0.78 O ATOM 1488 CB TRP A 98 -10.266 -5.163 2.170 1.00 0.67 C ATOM 1489 CG TRP A 98 -9.894 -6.610 2.290 1.00 0.66 C ATOM 1490 CD1 TRP A 98 -9.077 -7.308 1.451 1.00 0.74 C ATOM 1491 CD2 TRP A 98 -10.340 -7.544 3.283 1.00 0.72 C ATOM 1492 NE1 TRP A 98 -8.967 -8.609 1.870 1.00 0.85 N ATOM 1493 CE2 TRP A 98 -9.735 -8.782 2.991 1.00 0.83 C ATOM 1494 CE3 TRP A 98 -11.185 -7.457 4.394 1.00 0.78 C ATOM 1495 CZ2 TRP A 98 -9.949 -9.919 3.766 1.00 0.97 C ATOM 1496 CZ3 TRP A 98 -11.396 -8.586 5.163 1.00 0.92 C ATOM 1497 CH2 TRP A 98 -10.779 -9.803 4.845 1.00 1.00 C ATOM 0 H TRP A 98 -7.825 -5.315 3.568 1.00 0.52 H new ATOM 0 HA TRP A 98 -9.783 -3.204 2.925 1.00 0.63 H new ATOM 0 HB2 TRP A 98 -11.349 -5.072 2.255 1.00 0.67 H new ATOM 0 HB3 TRP A 98 -9.994 -4.814 1.174 1.00 0.67 H new ATOM 0 HD1 TRP A 98 -8.587 -6.896 0.581 1.00 0.74 H new ATOM 0 HE1 TRP A 98 -8.404 -9.331 1.420 1.00 0.85 H new ATOM 0 HE3 TRP A 98 -11.665 -6.523 4.647 1.00 0.78 H new ATOM 0 HZ2 TRP A 98 -9.476 -10.859 3.523 1.00 0.97 H new ATOM 0 HZ3 TRP A 98 -12.047 -8.529 6.023 1.00 0.92 H new ATOM 0 HH2 TRP A 98 -10.963 -10.667 5.466 1.00 1.00 H new ATOM 1508 N LYS A 99 -9.540 -5.023 5.532 1.00 0.75 N ATOM 1509 CA LYS A 99 -10.103 -5.256 6.857 1.00 0.91 C ATOM 1510 C LYS A 99 -9.839 -4.071 7.780 1.00 1.11 C ATOM 1511 O LYS A 99 -10.549 -3.866 8.764 1.00 1.33 O ATOM 1512 CB LYS A 99 -9.539 -6.544 7.463 1.00 0.90 C ATOM 1513 CG LYS A 99 -8.033 -6.519 7.697 1.00 0.87 C ATOM 1514 CD LYS A 99 -7.664 -5.914 9.045 1.00 1.38 C ATOM 1515 CE LYS A 99 -8.291 -6.685 10.194 1.00 1.51 C ATOM 1516 NZ LYS A 99 -7.929 -6.106 11.518 1.00 1.67 N ATOM 0 H LYS A 99 -8.574 -5.329 5.417 1.00 0.75 H new ATOM 0 HA LYS A 99 -11.182 -5.367 6.749 1.00 0.91 H new ATOM 0 HB2 LYS A 99 -10.039 -6.735 8.412 1.00 0.90 H new ATOM 0 HB3 LYS A 99 -9.779 -7.378 6.803 1.00 0.90 H new ATOM 0 HG2 LYS A 99 -7.642 -7.535 7.639 1.00 0.87 H new ATOM 0 HG3 LYS A 99 -7.554 -5.947 6.902 1.00 0.87 H new ATOM 0 HD2 LYS A 99 -6.580 -5.909 9.158 1.00 1.38 H new ATOM 0 HD3 LYS A 99 -7.993 -4.875 9.081 1.00 1.38 H new ATOM 0 HE2 LYS A 99 -9.375 -6.684 10.082 1.00 1.51 H new ATOM 0 HE3 LYS A 99 -7.967 -7.725 10.152 1.00 1.51 H new ATOM 0 HZ1 LYS A 99 -8.377 -6.662 12.274 1.00 1.67 H new ATOM 0 HZ2 LYS A 99 -6.896 -6.130 11.637 1.00 1.67 H new ATOM 0 HZ3 LYS A 99 -8.261 -5.122 11.569 1.00 1.67 H new