USER MOD reduce.3.24.130724 H: found=0, std=0, add=1106, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1108 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 11 TYR OH : rot -148:sc= 1.81 USER MOD Set 1.2: A 168 LYS NZ :NH3+ -120:sc= 1.93 (180deg=-0.217) USER MOD Set 1.3: A 171 SER OG : rot 50:sc= 2.13 USER MOD Set 2.1: A 121 LYS NZ :NH3+ 129:sc= -0.0408! (180deg=-0.572) USER MOD Set 2.2: A 140 TYR OH : rot 180:sc= 0.979 USER MOD Set 2.3: A 160 TYR OH : rot 180:sc= 0.987 USER MOD Set 3.1: A 86 GLN : amide:sc= 1.06 K(o=2.4,f=-8.1!) USER MOD Set 3.2: A 89 LYS NZ :NH3+ 165:sc= 1.33 (180deg=0) USER MOD Set 4.1: A 64 LYS NZ :NH3+ 161:sc= 0.829 (180deg=-1.72!) USER MOD Set 4.2: A 67 ASN : amide:sc= 0.713! C(o=1.7!,f=-11!) USER MOD Set 4.3: A 100 ASN : amide:sc= 0.141 K(o=1.7,f=-8.1!) USER MOD Set 5.1: A 20 ASN : amide:sc= -0.79 K(o=0.15,f=-5.5!) USER MOD Set 5.2: A 21 GLN : amide:sc= -1.05 K(o=0.15,f=-11!) USER MOD Set 5.3: A 88 LYS NZ :NH3+ 169:sc= 1.99 (180deg=0.896) USER MOD Single : A 10 ASN : amide:sc= -0.0179 X(o=-0.018,f=-0.018) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0.853 K(o=0.85,f=-0.0069) USER MOD Single : A 24 LYS NZ :NH3+ 173:sc= 0.836 (180deg=0.793) USER MOD Single : A 25 ASN : amide:sc=-0.000663 X(o=-0.00066,f=0) USER MOD Single : A 27 SER OG : rot -177:sc= 1.77 USER MOD Single : A 30 SER OG : rot 150:sc= 0.977 USER MOD Single : A 32 LYS NZ :NH3+ -134:sc= 0.756 (180deg=-1.07!) USER MOD Single : A 43 THR OG1 : rot 129:sc= 1.51 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -177:sc= 0 (180deg=-0.0191) USER MOD Single : A 53 THR OG1 : rot -150:sc=-0.00126 USER MOD Single : A 55 HIS : no HD1:sc= -0.0799 X(o=-0.08,f=-0.073) USER MOD Single : A 56 MET CE :methyl -175:sc= -0.0474 (180deg=-0.12) USER MOD Single : A 57 THR OG1 : rot -53:sc= 1.26 USER MOD Single : A 60 GLN : amide:sc= -0.294 K(o=-0.29,f=-4.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 174:sc= 1.03 (180deg=0.989) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 154:sc= 1.21 USER MOD Single : A 81 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.31) USER MOD Single : A 83 LYS NZ :NH3+ 157:sc= 1.11 (180deg=0.884) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 94 TYR OH : rot -15:sc= 0.72 USER MOD Single : A 97 SER OG : rot 180:sc= 0.209 USER MOD Single : A 105 THR OG1 : rot -81:sc= 0.987 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 99:sc= 0.29 USER MOD Single : A 109 GLN : amide:sc= 0.703 K(o=0.7,f=-0.16) USER MOD Single : A 110 SER OG : rot 180:sc= 0.0974 USER MOD Single : A 118 LYS NZ :NH3+ -161:sc= 1.6 (180deg=-0.721!) USER MOD Single : A 119 SER OG : rot -85:sc= 0.498 USER MOD Single : A 138 SER OG : rot 32:sc= 0.118 USER MOD Single : A 147 LYS NZ :NH3+ 172:sc= 0.805 (180deg=0.722) USER MOD Single : A 150 LYS NZ :NH3+ -174:sc= -0.227! (180deg=-0.71!) USER MOD Single : A 152 TYR OH : rot 150:sc= 0 USER MOD Single : A 153 ASN : amide:sc= -0.129 K(o=-0.13,f=-1.1) USER MOD Single : A 165 SER OG : rot 94:sc= 0.00117 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 172 THR OG1 : rot -42:sc= 0.8 USER MOD ----------------------------------------------------------------- ATOM 112 N ASP A 7 -15.908 -9.586 9.632 1.00 1.11 N ATOM 113 CA ASP A 7 -15.433 -9.478 8.253 1.00 0.85 C ATOM 114 C ASP A 7 -13.948 -9.893 8.151 1.00 0.70 C ATOM 115 O ASP A 7 -13.091 -9.067 7.844 1.00 0.79 O ATOM 116 CB ASP A 7 -15.643 -8.021 7.764 1.00 1.08 C ATOM 117 CG ASP A 7 -15.366 -6.969 8.846 1.00 1.86 C ATOM 118 OD1 ASP A 7 -14.680 -7.306 9.844 1.00 2.76 O ATOM 119 OD2 ASP A 7 -15.906 -5.857 8.692 1.00 2.77 O ATOM 0 HA ASP A 7 -16.001 -10.155 7.616 1.00 0.85 H new ATOM 0 HB2 ASP A 7 -14.991 -7.834 6.911 1.00 1.08 H new ATOM 0 HB3 ASP A 7 -16.668 -7.908 7.412 1.00 1.08 H new ATOM 124 N PRO A 8 -13.599 -11.174 8.366 1.00 0.84 N ATOM 125 CA PRO A 8 -12.240 -11.658 8.159 1.00 0.96 C ATOM 126 C PRO A 8 -11.954 -11.802 6.660 1.00 0.84 C ATOM 127 O PRO A 8 -12.864 -12.109 5.890 1.00 1.05 O ATOM 128 CB PRO A 8 -12.198 -13.022 8.851 1.00 1.29 C ATOM 129 CG PRO A 8 -13.624 -13.540 8.654 1.00 1.33 C ATOM 130 CD PRO A 8 -14.467 -12.268 8.771 1.00 1.12 C ATOM 0 HA PRO A 8 -11.490 -10.976 8.559 1.00 0.96 H new ATOM 0 HB2 PRO A 8 -11.460 -13.684 8.398 1.00 1.29 H new ATOM 0 HB3 PRO A 8 -11.941 -12.933 9.907 1.00 1.29 H new ATOM 0 HG2 PRO A 8 -13.749 -14.020 7.684 1.00 1.33 H new ATOM 0 HG3 PRO A 8 -13.895 -14.276 9.411 1.00 1.33 H new ATOM 0 HD2 PRO A 8 -15.348 -12.324 8.132 1.00 1.12 H new ATOM 0 HD3 PRO A 8 -14.822 -12.127 9.792 1.00 1.12 H new ATOM 138 N LEU A 9 -10.694 -11.619 6.249 1.00 0.85 N ATOM 139 CA LEU A 9 -10.214 -11.837 4.883 1.00 0.82 C ATOM 140 C LEU A 9 -9.037 -12.827 4.909 1.00 0.87 C ATOM 141 O LEU A 9 -8.536 -13.150 5.982 1.00 0.88 O ATOM 142 CB LEU A 9 -9.915 -10.535 4.114 1.00 0.84 C ATOM 143 CG LEU A 9 -9.962 -9.258 4.956 1.00 0.88 C ATOM 144 CD1 LEU A 9 -9.021 -8.220 4.362 1.00 1.05 C ATOM 145 CD2 LEU A 9 -11.379 -8.696 5.059 1.00 0.82 C ATOM 0 H LEU A 9 -9.957 -11.305 6.881 1.00 0.85 H new ATOM 0 HA LEU A 9 -11.023 -12.285 4.305 1.00 0.82 H new ATOM 0 HB2 LEU A 9 -8.927 -10.617 3.662 1.00 0.84 H new ATOM 0 HB3 LEU A 9 -10.632 -10.440 3.298 1.00 0.84 H new ATOM 0 HG LEU A 9 -9.640 -9.507 5.967 1.00 0.88 H new ATOM 0 HD11 LEU A 9 -9.056 -7.311 4.963 1.00 1.05 H new ATOM 0 HD12 LEU A 9 -8.004 -8.612 4.356 1.00 1.05 H new ATOM 0 HD13 LEU A 9 -9.328 -7.992 3.341 1.00 1.05 H new ATOM 0 HD21 LEU A 9 -11.368 -7.790 5.665 1.00 0.82 H new ATOM 0 HD22 LEU A 9 -11.751 -8.461 4.062 1.00 0.82 H new ATOM 0 HD23 LEU A 9 -12.031 -9.436 5.524 1.00 0.82 H new ATOM 157 N ASN A 10 -8.625 -13.325 3.738 1.00 0.94 N ATOM 158 CA ASN A 10 -7.482 -14.218 3.531 1.00 1.04 C ATOM 159 C ASN A 10 -6.991 -13.995 2.102 1.00 1.11 C ATOM 160 O ASN A 10 -6.986 -14.908 1.280 1.00 1.23 O ATOM 161 CB ASN A 10 -7.876 -15.701 3.672 1.00 1.15 C ATOM 162 CG ASN A 10 -8.369 -16.118 5.050 1.00 1.34 C ATOM 163 OD1 ASN A 10 -7.632 -16.045 6.031 1.00 1.99 O ATOM 164 ND2 ASN A 10 -9.602 -16.614 5.125 1.00 1.56 N ATOM 0 H ASN A 10 -9.105 -13.104 2.865 1.00 0.94 H new ATOM 0 HA ASN A 10 -6.721 -13.998 4.280 1.00 1.04 H new ATOM 0 HB2 ASN A 10 -8.656 -15.923 2.943 1.00 1.15 H new ATOM 0 HB3 ASN A 10 -7.013 -16.315 3.412 1.00 1.15 H new ATOM 0 HD21 ASN A 10 -9.963 -16.949 6.018 1.00 1.56 H new ATOM 0 HD22 ASN A 10 -10.185 -16.659 4.289 1.00 1.56 H new ATOM 171 N TYR A 11 -6.619 -12.760 1.775 1.00 1.03 N ATOM 172 CA TYR A 11 -6.431 -12.382 0.376 1.00 1.09 C ATOM 173 C TYR A 11 -4.960 -12.558 -0.008 1.00 1.01 C ATOM 174 O TYR A 11 -4.150 -11.691 0.302 1.00 0.79 O ATOM 175 CB TYR A 11 -6.945 -10.949 0.205 1.00 1.05 C ATOM 176 CG TYR A 11 -7.374 -10.467 -1.174 1.00 1.18 C ATOM 177 CD1 TYR A 11 -7.281 -11.287 -2.316 1.00 2.62 C ATOM 178 CD2 TYR A 11 -7.933 -9.178 -1.295 1.00 1.50 C ATOM 179 CE1 TYR A 11 -7.838 -10.862 -3.533 1.00 2.83 C ATOM 180 CE2 TYR A 11 -8.405 -8.715 -2.540 1.00 1.52 C ATOM 181 CZ TYR A 11 -8.319 -9.548 -3.671 1.00 1.62 C ATOM 182 OH TYR A 11 -8.980 -9.197 -4.814 1.00 1.87 O ATOM 0 H TYR A 11 -6.444 -12.014 2.448 1.00 1.03 H new ATOM 0 HA TYR A 11 -6.997 -13.022 -0.301 1.00 1.09 H new ATOM 0 HB2 TYR A 11 -7.797 -10.825 0.874 1.00 1.05 H new ATOM 0 HB3 TYR A 11 -6.163 -10.277 0.557 1.00 1.05 H new ATOM 0 HD1 TYR A 11 -6.781 -12.243 -2.255 1.00 2.62 H new ATOM 0 HD2 TYR A 11 -8.000 -8.540 -0.426 1.00 1.50 H new ATOM 0 HE1 TYR A 11 -7.897 -11.547 -4.366 1.00 2.83 H new ATOM 0 HE2 TYR A 11 -8.830 -7.726 -2.625 1.00 1.52 H new ATOM 0 HH TYR A 11 -8.811 -8.252 -5.013 1.00 1.87 H new ATOM 192 N GLU A 12 -4.605 -13.683 -0.632 1.00 1.23 N ATOM 193 CA GLU A 12 -3.216 -14.080 -0.847 1.00 1.18 C ATOM 194 C GLU A 12 -2.568 -13.265 -1.967 1.00 1.02 C ATOM 195 O GLU A 12 -2.878 -13.464 -3.140 1.00 1.22 O ATOM 196 CB GLU A 12 -3.173 -15.582 -1.167 1.00 1.52 C ATOM 197 CG GLU A 12 -3.458 -16.403 0.098 1.00 2.05 C ATOM 198 CD GLU A 12 -3.535 -17.904 -0.146 1.00 2.59 C ATOM 199 OE1 GLU A 12 -3.583 -18.299 -1.330 1.00 2.76 O ATOM 200 OE2 GLU A 12 -3.545 -18.627 0.874 1.00 3.69 O ATOM 0 H GLU A 12 -5.282 -14.349 -1.005 1.00 1.23 H new ATOM 0 HA GLU A 12 -2.645 -13.882 0.060 1.00 1.18 H new ATOM 0 HB2 GLU A 12 -3.909 -15.818 -1.936 1.00 1.52 H new ATOM 0 HB3 GLU A 12 -2.195 -15.848 -1.569 1.00 1.52 H new ATOM 0 HG2 GLU A 12 -2.678 -16.204 0.832 1.00 2.05 H new ATOM 0 HG3 GLU A 12 -4.399 -16.067 0.533 1.00 2.05 H new ATOM 207 N VAL A 13 -1.646 -12.364 -1.611 1.00 0.78 N ATOM 208 CA VAL A 13 -0.874 -11.610 -2.584 1.00 0.74 C ATOM 209 C VAL A 13 0.259 -12.483 -3.137 1.00 0.78 C ATOM 210 O VAL A 13 0.986 -13.121 -2.375 1.00 0.84 O ATOM 211 CB VAL A 13 -0.380 -10.279 -1.981 1.00 0.69 C ATOM 212 CG1 VAL A 13 -1.498 -9.539 -1.233 1.00 1.75 C ATOM 213 CG2 VAL A 13 0.836 -10.390 -1.056 1.00 1.60 C ATOM 0 H VAL A 13 -1.420 -12.143 -0.641 1.00 0.78 H new ATOM 0 HA VAL A 13 -1.510 -11.339 -3.427 1.00 0.74 H new ATOM 0 HB VAL A 13 -0.062 -9.712 -2.856 1.00 0.69 H new ATOM 0 HG11 VAL A 13 -1.107 -8.607 -0.824 1.00 1.75 H new ATOM 0 HG12 VAL A 13 -2.313 -9.319 -1.922 1.00 1.75 H new ATOM 0 HG13 VAL A 13 -1.868 -10.165 -0.421 1.00 1.75 H new ATOM 0 HG21 VAL A 13 1.103 -9.400 -0.686 1.00 1.60 H new ATOM 0 HG22 VAL A 13 0.595 -11.040 -0.215 1.00 1.60 H new ATOM 0 HG23 VAL A 13 1.677 -10.809 -1.609 1.00 1.60 H new ATOM 223 N GLU A 14 0.404 -12.531 -4.464 1.00 0.99 N ATOM 224 CA GLU A 14 1.437 -13.326 -5.111 1.00 0.99 C ATOM 225 C GLU A 14 2.841 -12.831 -4.737 1.00 0.74 C ATOM 226 O GLU A 14 3.054 -11.619 -4.666 1.00 0.75 O ATOM 227 CB GLU A 14 1.269 -13.271 -6.625 1.00 1.23 C ATOM 228 CG GLU A 14 -0.023 -13.935 -7.112 1.00 1.76 C ATOM 229 CD GLU A 14 -0.114 -13.873 -8.628 1.00 1.98 C ATOM 230 OE1 GLU A 14 0.211 -12.808 -9.197 1.00 2.95 O ATOM 231 OE2 GLU A 14 -0.547 -14.864 -9.256 1.00 2.91 O ATOM 0 H GLU A 14 -0.193 -12.019 -5.114 1.00 0.99 H new ATOM 0 HA GLU A 14 1.330 -14.354 -4.765 1.00 0.99 H new ATOM 0 HB2 GLU A 14 1.279 -12.230 -6.948 1.00 1.23 H new ATOM 0 HB3 GLU A 14 2.121 -13.759 -7.097 1.00 1.23 H new ATOM 0 HG2 GLU A 14 -0.052 -14.973 -6.782 1.00 1.76 H new ATOM 0 HG3 GLU A 14 -0.885 -13.436 -6.669 1.00 1.76 H new ATOM 238 N PRO A 15 3.816 -13.737 -4.549 1.00 0.69 N ATOM 239 CA PRO A 15 5.225 -13.385 -4.527 1.00 0.60 C ATOM 240 C PRO A 15 5.612 -12.595 -5.777 1.00 0.54 C ATOM 241 O PRO A 15 5.238 -12.971 -6.885 1.00 0.59 O ATOM 242 CB PRO A 15 5.992 -14.708 -4.451 1.00 0.86 C ATOM 243 CG PRO A 15 4.980 -15.665 -3.824 1.00 1.07 C ATOM 244 CD PRO A 15 3.648 -15.171 -4.387 1.00 0.93 C ATOM 0 HA PRO A 15 5.459 -12.745 -3.677 1.00 0.60 H new ATOM 0 HB2 PRO A 15 6.308 -15.047 -5.437 1.00 0.86 H new ATOM 0 HB3 PRO A 15 6.891 -14.617 -3.842 1.00 0.86 H new ATOM 0 HG2 PRO A 15 5.177 -16.700 -4.102 1.00 1.07 H new ATOM 0 HG3 PRO A 15 5.001 -15.618 -2.735 1.00 1.07 H new ATOM 0 HD2 PRO A 15 3.419 -15.651 -5.338 1.00 0.93 H new ATOM 0 HD3 PRO A 15 2.825 -15.398 -3.709 1.00 0.93 H new ATOM 252 N PHE A 16 6.362 -11.508 -5.591 1.00 0.64 N ATOM 253 CA PHE A 16 6.835 -10.608 -6.617 1.00 0.90 C ATOM 254 C PHE A 16 8.118 -10.019 -6.036 1.00 0.74 C ATOM 255 O PHE A 16 8.213 -9.903 -4.810 1.00 0.72 O ATOM 256 CB PHE A 16 5.793 -9.504 -6.830 1.00 1.18 C ATOM 257 CG PHE A 16 4.941 -9.629 -8.080 1.00 2.21 C ATOM 258 CD1 PHE A 16 3.784 -10.430 -8.064 1.00 3.98 C ATOM 259 CD2 PHE A 16 5.290 -8.933 -9.255 1.00 2.50 C ATOM 260 CE1 PHE A 16 3.014 -10.587 -9.230 1.00 5.35 C ATOM 261 CE2 PHE A 16 4.520 -9.093 -10.421 1.00 3.70 C ATOM 262 CZ PHE A 16 3.393 -9.933 -10.414 1.00 5.00 C ATOM 0 H PHE A 16 6.668 -11.225 -4.660 1.00 0.64 H new ATOM 0 HA PHE A 16 7.003 -11.095 -7.577 1.00 0.90 H new ATOM 0 HB2 PHE A 16 5.132 -9.483 -5.964 1.00 1.18 H new ATOM 0 HB3 PHE A 16 6.309 -8.545 -6.860 1.00 1.18 H new ATOM 0 HD1 PHE A 16 3.486 -10.926 -7.152 1.00 3.98 H new ATOM 0 HD2 PHE A 16 6.148 -8.277 -9.260 1.00 2.50 H new ATOM 0 HE1 PHE A 16 2.132 -11.210 -9.215 1.00 5.35 H new ATOM 0 HE2 PHE A 16 4.795 -8.569 -11.324 1.00 3.70 H new ATOM 0 HZ PHE A 16 2.819 -10.075 -11.318 1.00 5.00 H new ATOM 272 N THR A 17 9.080 -9.666 -6.892 1.00 0.69 N ATOM 273 CA THR A 17 10.357 -9.093 -6.491 1.00 0.61 C ATOM 274 C THR A 17 10.388 -7.621 -6.881 1.00 0.51 C ATOM 275 O THR A 17 10.592 -7.295 -8.047 1.00 0.68 O ATOM 276 CB THR A 17 11.515 -9.881 -7.114 1.00 0.80 C ATOM 277 OG1 THR A 17 11.362 -11.249 -6.790 1.00 0.92 O ATOM 278 CG2 THR A 17 12.846 -9.391 -6.537 1.00 0.85 C ATOM 0 H THR A 17 8.986 -9.775 -7.902 1.00 0.69 H new ATOM 0 HA THR A 17 10.474 -9.161 -5.409 1.00 0.61 H new ATOM 0 HB THR A 17 11.509 -9.739 -8.195 1.00 0.80 H new ATOM 0 HG1 THR A 17 12.097 -11.763 -7.185 1.00 0.92 H new ATOM 0 HG21 THR A 17 13.665 -9.954 -6.983 1.00 0.85 H new ATOM 0 HG22 THR A 17 12.971 -8.331 -6.759 1.00 0.85 H new ATOM 0 HG23 THR A 17 12.850 -9.538 -5.457 1.00 0.85 H new ATOM 286 N PHE A 18 10.195 -6.745 -5.898 1.00 0.42 N ATOM 287 CA PHE A 18 10.087 -5.310 -6.093 1.00 0.38 C ATOM 288 C PHE A 18 11.405 -4.639 -5.720 1.00 0.36 C ATOM 289 O PHE A 18 12.313 -5.298 -5.208 1.00 0.38 O ATOM 290 CB PHE A 18 8.979 -4.782 -5.184 1.00 0.35 C ATOM 291 CG PHE A 18 7.706 -5.597 -5.194 1.00 0.41 C ATOM 292 CD1 PHE A 18 6.773 -5.435 -6.233 1.00 2.23 C ATOM 293 CD2 PHE A 18 7.430 -6.474 -4.128 1.00 1.81 C ATOM 294 CE1 PHE A 18 5.516 -6.055 -6.142 1.00 2.38 C ATOM 295 CE2 PHE A 18 6.179 -7.104 -4.045 1.00 1.76 C ATOM 296 CZ PHE A 18 5.209 -6.856 -5.029 1.00 0.86 C ATOM 0 H PHE A 18 10.108 -7.025 -4.921 1.00 0.42 H new ATOM 0 HA PHE A 18 9.859 -5.093 -7.137 1.00 0.38 H new ATOM 0 HB2 PHE A 18 9.357 -4.738 -4.163 1.00 0.35 H new ATOM 0 HB3 PHE A 18 8.742 -3.760 -5.481 1.00 0.35 H new ATOM 0 HD1 PHE A 18 7.022 -4.837 -7.097 1.00 2.23 H new ATOM 0 HD2 PHE A 18 8.181 -6.662 -3.375 1.00 1.81 H new ATOM 0 HE1 PHE A 18 4.787 -5.916 -6.926 1.00 2.38 H new ATOM 0 HE2 PHE A 18 5.963 -7.777 -3.228 1.00 1.76 H new ATOM 0 HZ PHE A 18 4.222 -7.283 -4.930 1.00 0.86 H new ATOM 306 N GLN A 19 11.487 -3.319 -5.927 1.00 0.42 N ATOM 307 CA GLN A 19 12.574 -2.498 -5.427 1.00 0.42 C ATOM 308 C GLN A 19 12.009 -1.304 -4.658 1.00 0.43 C ATOM 309 O GLN A 19 11.097 -0.631 -5.146 1.00 0.46 O ATOM 310 CB GLN A 19 13.479 -2.045 -6.570 1.00 0.47 C ATOM 311 CG GLN A 19 13.971 -3.255 -7.375 1.00 0.55 C ATOM 312 CD GLN A 19 15.006 -2.900 -8.432 1.00 1.06 C ATOM 313 OE1 GLN A 19 14.718 -2.931 -9.622 1.00 1.38 O ATOM 314 NE2 GLN A 19 16.235 -2.598 -8.029 1.00 1.86 N ATOM 0 H GLN A 19 10.788 -2.794 -6.453 1.00 0.42 H new ATOM 0 HA GLN A 19 13.183 -3.091 -4.744 1.00 0.42 H new ATOM 0 HB2 GLN A 19 12.936 -1.362 -7.223 1.00 0.47 H new ATOM 0 HB3 GLN A 19 14.331 -1.495 -6.171 1.00 0.47 H new ATOM 0 HG2 GLN A 19 14.399 -3.987 -6.690 1.00 0.55 H new ATOM 0 HG3 GLN A 19 13.118 -3.731 -7.858 1.00 0.55 H new ATOM 0 HE21 GLN A 19 16.455 -2.578 -7.033 1.00 1.86 H new ATOM 0 HE22 GLN A 19 16.959 -2.386 -8.715 1.00 1.86 H new ATOM 323 N ASN A 20 12.546 -1.080 -3.459 1.00 0.49 N ATOM 324 CA ASN A 20 12.270 0.064 -2.584 1.00 0.55 C ATOM 325 C ASN A 20 13.102 1.280 -3.032 1.00 0.68 C ATOM 326 O ASN A 20 13.886 1.184 -3.974 1.00 0.70 O ATOM 327 CB ASN A 20 12.468 -0.392 -1.117 1.00 0.60 C ATOM 328 CG ASN A 20 12.480 0.719 -0.067 1.00 1.73 C ATOM 329 OD1 ASN A 20 11.639 1.612 -0.091 1.00 3.65 O ATOM 330 ND2 ASN A 20 13.430 0.727 0.858 1.00 1.24 N ATOM 0 H ASN A 20 13.221 -1.725 -3.048 1.00 0.49 H new ATOM 0 HA ASN A 20 11.238 0.407 -2.656 1.00 0.55 H new ATOM 0 HB2 ASN A 20 11.674 -1.095 -0.865 1.00 0.60 H new ATOM 0 HB3 ASN A 20 13.409 -0.938 -1.051 1.00 0.60 H new ATOM 0 HD21 ASN A 20 13.462 1.476 1.550 1.00 1.24 H new ATOM 0 HD22 ASN A 20 14.129 -0.016 0.878 1.00 1.24 H new ATOM 337 N GLN A 21 12.907 2.455 -2.416 1.00 0.82 N ATOM 338 CA GLN A 21 13.585 3.703 -2.791 1.00 1.02 C ATOM 339 C GLN A 21 15.103 3.722 -2.522 1.00 1.13 C ATOM 340 O GLN A 21 15.775 4.698 -2.844 1.00 1.34 O ATOM 341 CB GLN A 21 12.866 4.914 -2.170 1.00 1.17 C ATOM 342 CG GLN A 21 12.629 4.871 -0.651 1.00 1.19 C ATOM 343 CD GLN A 21 13.897 4.832 0.197 1.00 1.69 C ATOM 344 OE1 GLN A 21 14.444 5.874 0.550 1.00 2.58 O ATOM 345 NE2 GLN A 21 14.362 3.645 0.561 1.00 1.88 N ATOM 0 H GLN A 21 12.264 2.566 -1.632 1.00 0.82 H new ATOM 0 HA GLN A 21 13.512 3.769 -3.877 1.00 1.02 H new ATOM 0 HB2 GLN A 21 13.446 5.808 -2.399 1.00 1.17 H new ATOM 0 HB3 GLN A 21 11.900 5.026 -2.662 1.00 1.17 H new ATOM 0 HG2 GLN A 21 12.045 5.745 -0.364 1.00 1.19 H new ATOM 0 HG3 GLN A 21 12.026 3.994 -0.417 1.00 1.19 H new ATOM 0 HE21 GLN A 21 13.888 2.796 0.254 1.00 1.88 H new ATOM 0 HE22 GLN A 21 15.193 3.581 1.148 1.00 1.88 H new ATOM 354 N ASP A 22 15.632 2.643 -1.951 1.00 1.09 N ATOM 355 CA ASP A 22 17.031 2.271 -1.816 1.00 1.29 C ATOM 356 C ASP A 22 17.539 1.632 -3.116 1.00 1.04 C ATOM 357 O ASP A 22 18.730 1.355 -3.245 1.00 1.18 O ATOM 358 CB ASP A 22 17.138 1.319 -0.613 1.00 1.66 C ATOM 359 CG ASP A 22 16.077 0.230 -0.602 1.00 3.75 C ATOM 360 OD1 ASP A 22 15.459 0.039 -1.673 1.00 5.15 O ATOM 361 OD2 ASP A 22 15.843 -0.359 0.475 1.00 4.79 O ATOM 0 H ASP A 22 15.027 1.938 -1.530 1.00 1.09 H new ATOM 0 HA ASP A 22 17.660 3.144 -1.640 1.00 1.29 H new ATOM 0 HB2 ASP A 22 18.124 0.854 -0.615 1.00 1.66 H new ATOM 0 HB3 ASP A 22 17.061 1.899 0.307 1.00 1.66 H new ATOM 366 N GLY A 23 16.645 1.379 -4.080 1.00 0.83 N ATOM 367 CA GLY A 23 16.920 0.582 -5.261 1.00 0.85 C ATOM 368 C GLY A 23 17.106 -0.887 -4.885 1.00 0.98 C ATOM 369 O GLY A 23 17.488 -1.702 -5.724 1.00 1.40 O ATOM 0 H GLY A 23 15.690 1.736 -4.051 1.00 0.83 H new ATOM 0 HA2 GLY A 23 16.100 0.680 -5.972 1.00 0.85 H new ATOM 0 HA3 GLY A 23 17.817 0.953 -5.756 1.00 0.85 H new ATOM 373 N LYS A 24 16.844 -1.244 -3.629 1.00 0.84 N ATOM 374 CA LYS A 24 17.220 -2.521 -3.077 1.00 0.97 C ATOM 375 C LYS A 24 16.127 -3.518 -3.420 1.00 0.88 C ATOM 376 O LYS A 24 14.945 -3.236 -3.223 1.00 0.80 O ATOM 377 CB LYS A 24 17.353 -2.372 -1.562 1.00 1.19 C ATOM 378 CG LYS A 24 18.218 -3.455 -0.937 1.00 1.59 C ATOM 379 CD LYS A 24 17.814 -3.729 0.522 1.00 1.63 C ATOM 380 CE LYS A 24 17.909 -5.223 0.865 1.00 2.47 C ATOM 381 NZ LYS A 24 16.767 -6.004 0.334 1.00 3.53 N ATOM 0 H LYS A 24 16.358 -0.639 -2.967 1.00 0.84 H new ATOM 0 HA LYS A 24 18.170 -2.869 -3.484 1.00 0.97 H new ATOM 0 HB2 LYS A 24 17.780 -1.395 -1.334 1.00 1.19 H new ATOM 0 HB3 LYS A 24 16.361 -2.400 -1.110 1.00 1.19 H new ATOM 0 HG2 LYS A 24 18.130 -4.373 -1.518 1.00 1.59 H new ATOM 0 HG3 LYS A 24 19.265 -3.153 -0.975 1.00 1.59 H new ATOM 0 HD2 LYS A 24 18.459 -3.160 1.192 1.00 1.63 H new ATOM 0 HD3 LYS A 24 16.795 -3.381 0.689 1.00 1.63 H new ATOM 0 HE2 LYS A 24 18.838 -5.626 0.462 1.00 2.47 H new ATOM 0 HE3 LYS A 24 17.953 -5.341 1.948 1.00 2.47 H new ATOM 0 HZ1 LYS A 24 16.938 -7.018 0.489 1.00 3.53 H new ATOM 0 HZ2 LYS A 24 15.895 -5.721 0.824 1.00 3.53 H new ATOM 0 HZ3 LYS A 24 16.666 -5.822 -0.685 1.00 3.53 H new ATOM 395 N ASN A 25 16.518 -4.703 -3.886 1.00 0.93 N ATOM 396 CA ASN A 25 15.547 -5.710 -4.264 1.00 0.85 C ATOM 397 C ASN A 25 14.961 -6.308 -2.990 1.00 0.83 C ATOM 398 O ASN A 25 15.694 -6.564 -2.026 1.00 0.91 O ATOM 399 CB ASN A 25 16.203 -6.795 -5.125 1.00 0.97 C ATOM 400 CG ASN A 25 16.731 -6.224 -6.435 1.00 2.25 C ATOM 401 OD1 ASN A 25 17.900 -5.865 -6.523 1.00 2.83 O ATOM 402 ND2 ASN A 25 15.884 -6.120 -7.455 1.00 3.59 N ATOM 0 H ASN A 25 17.492 -4.981 -4.008 1.00 0.93 H new ATOM 0 HA ASN A 25 14.753 -5.259 -4.859 1.00 0.85 H new ATOM 0 HB2 ASN A 25 17.021 -7.255 -4.571 1.00 0.97 H new ATOM 0 HB3 ASN A 25 15.478 -7.582 -5.335 1.00 0.97 H new ATOM 0 HD21 ASN A 25 16.201 -5.732 -8.344 1.00 3.59 H new ATOM 0 HD22 ASN A 25 14.917 -6.428 -7.349 1.00 3.59 H new ATOM 409 N VAL A 26 13.640 -6.490 -2.980 1.00 0.73 N ATOM 410 CA VAL A 26 12.888 -7.098 -1.899 1.00 0.72 C ATOM 411 C VAL A 26 11.765 -7.938 -2.514 1.00 0.63 C ATOM 412 O VAL A 26 10.925 -7.430 -3.256 1.00 0.55 O ATOM 413 CB VAL A 26 12.342 -6.043 -0.918 1.00 0.71 C ATOM 414 CG1 VAL A 26 13.412 -5.569 0.071 1.00 1.20 C ATOM 415 CG2 VAL A 26 11.766 -4.804 -1.610 1.00 0.96 C ATOM 0 H VAL A 26 13.048 -6.204 -3.759 1.00 0.73 H new ATOM 0 HA VAL A 26 13.545 -7.739 -1.311 1.00 0.72 H new ATOM 0 HB VAL A 26 11.538 -6.558 -0.392 1.00 0.71 H new ATOM 0 HG11 VAL A 26 12.983 -4.826 0.743 1.00 1.20 H new ATOM 0 HG12 VAL A 26 13.773 -6.418 0.652 1.00 1.20 H new ATOM 0 HG13 VAL A 26 14.243 -5.125 -0.477 1.00 1.20 H new ATOM 0 HG21 VAL A 26 11.400 -4.104 -0.858 1.00 0.96 H new ATOM 0 HG22 VAL A 26 12.544 -4.324 -2.204 1.00 0.96 H new ATOM 0 HG23 VAL A 26 10.943 -5.100 -2.261 1.00 0.96 H new ATOM 425 N SER A 27 11.773 -9.237 -2.211 1.00 0.84 N ATOM 426 CA SER A 27 10.670 -10.134 -2.514 1.00 0.71 C ATOM 427 C SER A 27 9.662 -10.082 -1.374 1.00 0.58 C ATOM 428 O SER A 27 10.014 -9.708 -0.256 1.00 0.63 O ATOM 429 CB SER A 27 11.211 -11.553 -2.729 1.00 0.74 C ATOM 430 OG SER A 27 10.177 -12.518 -2.691 1.00 2.34 O ATOM 0 H SER A 27 12.556 -9.695 -1.744 1.00 0.84 H new ATOM 0 HA SER A 27 10.166 -9.827 -3.430 1.00 0.71 H new ATOM 0 HB2 SER A 27 11.723 -11.606 -3.690 1.00 0.74 H new ATOM 0 HB3 SER A 27 11.950 -11.781 -1.961 1.00 0.74 H new ATOM 0 HG SER A 27 10.562 -13.414 -2.786 1.00 2.34 H new ATOM 436 N LEU A 28 8.434 -10.542 -1.631 1.00 0.50 N ATOM 437 CA LEU A 28 7.497 -10.951 -0.600 1.00 0.49 C ATOM 438 C LEU A 28 8.181 -11.810 0.470 1.00 0.47 C ATOM 439 O LEU A 28 7.837 -11.720 1.645 1.00 0.50 O ATOM 440 CB LEU A 28 6.367 -11.727 -1.275 1.00 0.58 C ATOM 441 CG LEU A 28 5.196 -12.021 -0.332 1.00 1.15 C ATOM 442 CD1 LEU A 28 4.472 -10.735 0.056 1.00 1.70 C ATOM 443 CD2 LEU A 28 4.203 -12.930 -1.050 1.00 1.34 C ATOM 0 H LEU A 28 8.065 -10.639 -2.577 1.00 0.50 H new ATOM 0 HA LEU A 28 7.103 -10.071 -0.092 1.00 0.49 H new ATOM 0 HB2 LEU A 28 6.003 -11.158 -2.130 1.00 0.58 H new ATOM 0 HB3 LEU A 28 6.760 -12.667 -1.662 1.00 0.58 H new ATOM 0 HG LEU A 28 5.587 -12.496 0.568 1.00 1.15 H new ATOM 0 HD11 LEU A 28 3.645 -10.971 0.726 1.00 1.70 H new ATOM 0 HD12 LEU A 28 5.167 -10.064 0.560 1.00 1.70 H new ATOM 0 HD13 LEU A 28 4.086 -10.250 -0.841 1.00 1.70 H new ATOM 0 HD21 LEU A 28 3.364 -13.147 -0.389 1.00 1.34 H new ATOM 0 HD22 LEU A 28 3.838 -12.432 -1.948 1.00 1.34 H new ATOM 0 HD23 LEU A 28 4.697 -13.861 -1.327 1.00 1.34 H new ATOM 455 N GLU A 29 9.171 -12.623 0.084 1.00 0.51 N ATOM 456 CA GLU A 29 9.968 -13.426 1.001 1.00 0.58 C ATOM 457 C GLU A 29 10.622 -12.591 2.114 1.00 0.54 C ATOM 458 O GLU A 29 10.843 -13.095 3.211 1.00 0.66 O ATOM 459 CB GLU A 29 11.010 -14.188 0.196 1.00 0.71 C ATOM 460 CG GLU A 29 10.385 -15.190 -0.785 1.00 0.93 C ATOM 461 CD GLU A 29 11.391 -15.581 -1.857 1.00 2.33 C ATOM 462 OE1 GLU A 29 11.606 -14.721 -2.740 1.00 3.20 O ATOM 463 OE2 GLU A 29 11.933 -16.701 -1.761 1.00 3.39 O ATOM 0 H GLU A 29 9.441 -12.739 -0.893 1.00 0.51 H new ATOM 0 HA GLU A 29 9.306 -14.124 1.513 1.00 0.58 H new ATOM 0 HB2 GLU A 29 11.625 -13.479 -0.358 1.00 0.71 H new ATOM 0 HB3 GLU A 29 11.673 -14.720 0.879 1.00 0.71 H new ATOM 0 HG2 GLU A 29 10.055 -16.078 -0.246 1.00 0.93 H new ATOM 0 HG3 GLU A 29 9.502 -14.751 -1.249 1.00 0.93 H new ATOM 470 N SER A 30 10.908 -11.309 1.855 1.00 0.46 N ATOM 471 CA SER A 30 11.388 -10.364 2.865 1.00 0.50 C ATOM 472 C SER A 30 10.392 -10.184 4.017 1.00 0.41 C ATOM 473 O SER A 30 10.771 -9.638 5.050 1.00 0.58 O ATOM 474 CB SER A 30 11.723 -9.019 2.217 1.00 0.74 C ATOM 475 OG SER A 30 12.208 -8.041 3.129 1.00 2.63 O ATOM 0 H SER A 30 10.811 -10.896 0.927 1.00 0.46 H new ATOM 0 HA SER A 30 12.296 -10.784 3.298 1.00 0.50 H new ATOM 0 HB2 SER A 30 12.470 -9.178 1.440 1.00 0.74 H new ATOM 0 HB3 SER A 30 10.830 -8.632 1.726 1.00 0.74 H new ATOM 0 HG SER A 30 12.823 -7.436 2.664 1.00 2.63 H new ATOM 481 N LEU A 31 9.122 -10.544 3.809 1.00 0.39 N ATOM 482 CA LEU A 31 8.005 -10.177 4.667 1.00 0.44 C ATOM 483 C LEU A 31 7.182 -11.397 5.090 1.00 0.49 C ATOM 484 O LEU A 31 6.606 -11.402 6.175 1.00 0.64 O ATOM 485 CB LEU A 31 7.114 -9.193 3.900 1.00 0.45 C ATOM 486 CG LEU A 31 7.869 -7.962 3.380 1.00 0.42 C ATOM 487 CD1 LEU A 31 7.023 -7.225 2.342 1.00 0.46 C ATOM 488 CD2 LEU A 31 8.226 -7.028 4.537 1.00 0.46 C ATOM 0 H LEU A 31 8.840 -11.116 3.013 1.00 0.39 H new ATOM 0 HA LEU A 31 8.398 -9.722 5.576 1.00 0.44 H new ATOM 0 HB2 LEU A 31 6.655 -9.711 3.058 1.00 0.45 H new ATOM 0 HB3 LEU A 31 6.304 -8.865 4.551 1.00 0.45 H new ATOM 0 HG LEU A 31 8.793 -8.293 2.906 1.00 0.42 H new ATOM 0 HD11 LEU A 31 7.569 -6.354 1.980 1.00 0.46 H new ATOM 0 HD12 LEU A 31 6.809 -7.892 1.507 1.00 0.46 H new ATOM 0 HD13 LEU A 31 6.087 -6.903 2.798 1.00 0.46 H new ATOM 0 HD21 LEU A 31 8.761 -6.160 4.152 1.00 0.46 H new ATOM 0 HD22 LEU A 31 7.313 -6.700 5.035 1.00 0.46 H new ATOM 0 HD23 LEU A 31 8.858 -7.557 5.250 1.00 0.46 H new ATOM 500 N LYS A 32 7.078 -12.418 4.232 1.00 0.51 N ATOM 501 CA LYS A 32 6.272 -13.593 4.517 1.00 0.52 C ATOM 502 C LYS A 32 6.650 -14.198 5.863 1.00 0.52 C ATOM 503 O LYS A 32 7.820 -14.471 6.121 1.00 0.73 O ATOM 504 CB LYS A 32 6.367 -14.605 3.384 1.00 0.64 C ATOM 505 CG LYS A 32 5.440 -15.820 3.602 1.00 1.00 C ATOM 506 CD LYS A 32 6.237 -16.959 4.232 1.00 2.82 C ATOM 507 CE LYS A 32 5.498 -18.309 4.269 1.00 3.12 C ATOM 508 NZ LYS A 32 4.532 -18.426 5.385 1.00 4.43 N ATOM 0 H LYS A 32 7.550 -12.446 3.328 1.00 0.51 H new ATOM 0 HA LYS A 32 5.228 -13.287 4.586 1.00 0.52 H new ATOM 0 HB2 LYS A 32 6.109 -14.119 2.443 1.00 0.64 H new ATOM 0 HB3 LYS A 32 7.397 -14.949 3.293 1.00 0.64 H new ATOM 0 HG2 LYS A 32 4.606 -15.544 4.248 1.00 1.00 H new ATOM 0 HG3 LYS A 32 5.014 -16.142 2.652 1.00 1.00 H new ATOM 0 HD2 LYS A 32 7.168 -17.084 3.679 1.00 2.82 H new ATOM 0 HD3 LYS A 32 6.506 -16.678 5.250 1.00 2.82 H new ATOM 0 HE2 LYS A 32 4.970 -18.450 3.326 1.00 3.12 H new ATOM 0 HE3 LYS A 32 6.230 -19.112 4.348 1.00 3.12 H new ATOM 0 HZ1 LYS A 32 4.650 -19.348 5.851 1.00 4.43 H new ATOM 0 HZ2 LYS A 32 4.703 -17.665 6.073 1.00 4.43 H new ATOM 0 HZ3 LYS A 32 3.563 -18.347 5.015 1.00 4.43 H new ATOM 522 N GLY A 33 5.642 -14.431 6.701 1.00 0.43 N ATOM 523 CA GLY A 33 5.830 -14.843 8.083 1.00 0.46 C ATOM 524 C GLY A 33 5.431 -13.714 9.026 1.00 0.40 C ATOM 525 O GLY A 33 4.855 -13.983 10.076 1.00 0.42 O ATOM 0 H GLY A 33 4.662 -14.337 6.433 1.00 0.43 H new ATOM 0 HA2 GLY A 33 5.231 -15.730 8.291 1.00 0.46 H new ATOM 0 HA3 GLY A 33 6.872 -15.116 8.251 1.00 0.46 H new ATOM 529 N GLU A 34 5.706 -12.465 8.636 1.00 0.39 N ATOM 530 CA GLU A 34 5.410 -11.288 9.446 1.00 0.37 C ATOM 531 C GLU A 34 4.124 -10.599 8.979 1.00 0.33 C ATOM 532 O GLU A 34 3.660 -10.807 7.859 1.00 0.41 O ATOM 533 CB GLU A 34 6.620 -10.341 9.422 1.00 0.48 C ATOM 534 CG GLU A 34 7.756 -10.867 10.311 1.00 0.88 C ATOM 535 CD GLU A 34 7.493 -10.591 11.786 1.00 2.15 C ATOM 536 OE1 GLU A 34 7.908 -9.504 12.241 1.00 3.33 O ATOM 537 OE2 GLU A 34 6.861 -11.454 12.430 1.00 3.02 O ATOM 0 H GLU A 34 6.144 -12.245 7.741 1.00 0.39 H new ATOM 0 HA GLU A 34 5.232 -11.593 10.477 1.00 0.37 H new ATOM 0 HB2 GLU A 34 6.978 -10.230 8.398 1.00 0.48 H new ATOM 0 HB3 GLU A 34 6.317 -9.351 9.763 1.00 0.48 H new ATOM 0 HG2 GLU A 34 7.871 -11.940 10.157 1.00 0.88 H new ATOM 0 HG3 GLU A 34 8.695 -10.400 10.015 1.00 0.88 H new ATOM 544 N VAL A 35 3.526 -9.791 9.860 1.00 0.28 N ATOM 545 CA VAL A 35 2.249 -9.117 9.635 1.00 0.28 C ATOM 546 C VAL A 35 2.494 -7.701 9.135 1.00 0.28 C ATOM 547 O VAL A 35 2.314 -6.710 9.840 1.00 0.39 O ATOM 548 CB VAL A 35 1.383 -9.218 10.898 1.00 0.33 C ATOM 549 CG1 VAL A 35 1.990 -8.639 12.185 1.00 0.35 C ATOM 550 CG2 VAL A 35 -0.021 -8.653 10.667 1.00 0.41 C ATOM 0 H VAL A 35 3.930 -9.584 10.773 1.00 0.28 H new ATOM 0 HA VAL A 35 1.677 -9.607 8.847 1.00 0.28 H new ATOM 0 HB VAL A 35 1.327 -10.292 11.078 1.00 0.33 H new ATOM 0 HG11 VAL A 35 1.288 -8.768 13.009 1.00 0.35 H new ATOM 0 HG12 VAL A 35 2.919 -9.160 12.416 1.00 0.35 H new ATOM 0 HG13 VAL A 35 2.194 -7.578 12.045 1.00 0.35 H new ATOM 0 HG21 VAL A 35 -0.604 -8.742 11.583 1.00 0.41 H new ATOM 0 HG22 VAL A 35 0.051 -7.603 10.384 1.00 0.41 H new ATOM 0 HG23 VAL A 35 -0.511 -9.211 9.869 1.00 0.41 H new ATOM 560 N TRP A 36 2.951 -7.618 7.893 1.00 0.34 N ATOM 561 CA TRP A 36 3.382 -6.377 7.299 1.00 0.30 C ATOM 562 C TRP A 36 2.176 -5.582 6.801 1.00 0.28 C ATOM 563 O TRP A 36 1.156 -6.143 6.399 1.00 0.31 O ATOM 564 CB TRP A 36 4.406 -6.691 6.209 1.00 0.32 C ATOM 565 CG TRP A 36 3.925 -7.523 5.065 1.00 0.32 C ATOM 566 CD1 TRP A 36 3.791 -8.866 5.020 1.00 0.36 C ATOM 567 CD2 TRP A 36 3.552 -7.043 3.753 1.00 0.32 C ATOM 568 NE1 TRP A 36 3.397 -9.247 3.756 1.00 0.38 N ATOM 569 CE2 TRP A 36 3.274 -8.156 2.911 1.00 0.36 C ATOM 570 CE3 TRP A 36 3.443 -5.761 3.196 1.00 0.34 C ATOM 571 CZ2 TRP A 36 2.938 -7.990 1.557 1.00 0.41 C ATOM 572 CZ3 TRP A 36 3.044 -5.583 1.863 1.00 0.40 C ATOM 573 CH2 TRP A 36 2.839 -6.689 1.035 1.00 0.42 C ATOM 0 H TRP A 36 3.030 -8.422 7.271 1.00 0.34 H new ATOM 0 HA TRP A 36 3.872 -5.738 8.034 1.00 0.30 H new ATOM 0 HB2 TRP A 36 4.782 -5.748 5.811 1.00 0.32 H new ATOM 0 HB3 TRP A 36 5.251 -7.201 6.671 1.00 0.32 H new ATOM 0 HD1 TRP A 36 3.966 -9.538 5.847 1.00 0.36 H new ATOM 0 HE1 TRP A 36 3.218 -10.212 3.477 1.00 0.38 H new ATOM 0 HE3 TRP A 36 3.670 -4.897 3.803 1.00 0.34 H new ATOM 0 HZ2 TRP A 36 2.759 -8.849 0.927 1.00 0.41 H new ATOM 0 HZ3 TRP A 36 2.895 -4.586 1.475 1.00 0.40 H new ATOM 0 HH2 TRP A 36 2.604 -6.544 -0.009 1.00 0.42 H new ATOM 584 N LEU A 37 2.276 -4.257 6.862 1.00 0.33 N ATOM 585 CA LEU A 37 1.200 -3.382 6.445 1.00 0.33 C ATOM 586 C LEU A 37 1.433 -3.019 4.985 1.00 0.32 C ATOM 587 O LEU A 37 2.582 -2.891 4.571 1.00 0.31 O ATOM 588 CB LEU A 37 1.196 -2.113 7.296 1.00 0.38 C ATOM 589 CG LEU A 37 1.359 -2.285 8.812 1.00 0.52 C ATOM 590 CD1 LEU A 37 1.046 -0.947 9.491 1.00 0.78 C ATOM 591 CD2 LEU A 37 0.428 -3.362 9.384 1.00 0.65 C ATOM 0 H LEU A 37 3.104 -3.768 7.201 1.00 0.33 H new ATOM 0 HA LEU A 37 0.239 -3.882 6.568 1.00 0.33 H new ATOM 0 HB2 LEU A 37 1.998 -1.466 6.941 1.00 0.38 H new ATOM 0 HB3 LEU A 37 0.258 -1.587 7.114 1.00 0.38 H new ATOM 0 HG LEU A 37 2.384 -2.601 9.004 1.00 0.52 H new ATOM 0 HD11 LEU A 37 1.157 -1.052 10.570 1.00 0.78 H new ATOM 0 HD12 LEU A 37 1.735 -0.185 9.128 1.00 0.78 H new ATOM 0 HD13 LEU A 37 0.023 -0.652 9.259 1.00 0.78 H new ATOM 0 HD21 LEU A 37 0.584 -3.443 10.460 1.00 0.65 H new ATOM 0 HD22 LEU A 37 -0.609 -3.089 9.187 1.00 0.65 H new ATOM 0 HD23 LEU A 37 0.647 -4.320 8.912 1.00 0.65 H new ATOM 603 N ALA A 38 0.371 -2.828 4.211 1.00 0.43 N ATOM 604 CA ALA A 38 0.441 -2.376 2.836 1.00 0.46 C ATOM 605 C ALA A 38 -0.447 -1.150 2.675 1.00 0.54 C ATOM 606 O ALA A 38 -1.596 -1.156 3.121 1.00 0.91 O ATOM 607 CB ALA A 38 -0.013 -3.500 1.906 1.00 0.59 C ATOM 0 H ALA A 38 -0.583 -2.988 4.534 1.00 0.43 H new ATOM 0 HA ALA A 38 1.466 -2.109 2.577 1.00 0.46 H new ATOM 0 HB1 ALA A 38 0.040 -3.160 0.872 1.00 0.59 H new ATOM 0 HB2 ALA A 38 0.637 -4.365 2.037 1.00 0.59 H new ATOM 0 HB3 ALA A 38 -1.040 -3.778 2.145 1.00 0.59 H new ATOM 613 N ASP A 39 0.097 -0.131 2.014 1.00 0.45 N ATOM 614 CA ASP A 39 -0.630 1.026 1.519 1.00 0.54 C ATOM 615 C ASP A 39 -0.282 1.208 0.042 1.00 0.70 C ATOM 616 O ASP A 39 0.532 0.467 -0.513 1.00 1.59 O ATOM 617 CB ASP A 39 -0.270 2.262 2.356 1.00 0.84 C ATOM 618 CG ASP A 39 -0.980 2.238 3.698 1.00 1.85 C ATOM 619 OD1 ASP A 39 -2.211 2.436 3.678 1.00 3.29 O ATOM 620 OD2 ASP A 39 -0.281 2.065 4.719 1.00 2.73 O ATOM 0 H ASP A 39 1.094 -0.091 1.803 1.00 0.45 H new ATOM 0 HA ASP A 39 -1.707 0.883 1.609 1.00 0.54 H new ATOM 0 HB2 ASP A 39 0.808 2.298 2.512 1.00 0.84 H new ATOM 0 HB3 ASP A 39 -0.544 3.166 1.812 1.00 0.84 H new ATOM 625 N PHE A 40 -0.932 2.161 -0.621 1.00 0.63 N ATOM 626 CA PHE A 40 -0.593 2.573 -1.972 1.00 0.68 C ATOM 627 C PHE A 40 -1.160 3.974 -2.185 1.00 0.70 C ATOM 628 O PHE A 40 -2.267 4.248 -1.726 1.00 0.90 O ATOM 629 CB PHE A 40 -1.111 1.549 -2.991 1.00 0.88 C ATOM 630 CG PHE A 40 -2.579 1.174 -2.865 1.00 0.89 C ATOM 631 CD1 PHE A 40 -2.960 0.120 -2.014 1.00 1.77 C ATOM 632 CD2 PHE A 40 -3.564 1.890 -3.570 1.00 2.20 C ATOM 633 CE1 PHE A 40 -4.319 -0.201 -1.850 1.00 1.96 C ATOM 634 CE2 PHE A 40 -4.922 1.558 -3.419 1.00 2.31 C ATOM 635 CZ PHE A 40 -5.300 0.512 -2.559 1.00 1.40 C ATOM 0 H PHE A 40 -1.720 2.674 -0.225 1.00 0.63 H new ATOM 0 HA PHE A 40 0.487 2.611 -2.117 1.00 0.68 H new ATOM 0 HB2 PHE A 40 -0.941 1.944 -3.993 1.00 0.88 H new ATOM 0 HB3 PHE A 40 -0.515 0.641 -2.901 1.00 0.88 H new ATOM 0 HD1 PHE A 40 -2.206 -0.444 -1.485 1.00 1.77 H new ATOM 0 HD2 PHE A 40 -3.276 2.696 -4.228 1.00 2.20 H new ATOM 0 HE1 PHE A 40 -4.609 -0.996 -1.179 1.00 1.96 H new ATOM 0 HE2 PHE A 40 -5.675 2.107 -3.964 1.00 2.31 H new ATOM 0 HZ PHE A 40 -6.343 0.257 -2.444 1.00 1.40 H new ATOM 645 N ILE A 41 -0.412 4.864 -2.844 1.00 0.66 N ATOM 646 CA ILE A 41 -0.846 6.224 -3.145 1.00 0.73 C ATOM 647 C ILE A 41 -0.239 6.654 -4.478 1.00 0.66 C ATOM 648 O ILE A 41 0.799 6.131 -4.881 1.00 0.64 O ATOM 649 CB ILE A 41 -0.508 7.231 -2.023 1.00 0.95 C ATOM 650 CG1 ILE A 41 0.985 7.582 -1.880 1.00 1.37 C ATOM 651 CG2 ILE A 41 -1.119 6.853 -0.664 1.00 1.14 C ATOM 652 CD1 ILE A 41 1.913 6.408 -1.555 1.00 1.33 C ATOM 0 H ILE A 41 0.525 4.653 -3.187 1.00 0.66 H new ATOM 0 HA ILE A 41 -1.934 6.222 -3.216 1.00 0.73 H new ATOM 0 HB ILE A 41 -0.990 8.146 -2.366 1.00 0.95 H new ATOM 0 HG12 ILE A 41 1.322 8.042 -2.809 1.00 1.37 H new ATOM 0 HG13 ILE A 41 1.090 8.332 -1.096 1.00 1.37 H new ATOM 0 HG21 ILE A 41 -0.843 7.601 0.079 1.00 1.14 H new ATOM 0 HG22 ILE A 41 -2.205 6.812 -0.752 1.00 1.14 H new ATOM 0 HG23 ILE A 41 -0.743 5.878 -0.354 1.00 1.14 H new ATOM 0 HD11 ILE A 41 2.939 6.766 -1.477 1.00 1.33 H new ATOM 0 HD12 ILE A 41 1.613 5.958 -0.609 1.00 1.33 H new ATOM 0 HD13 ILE A 41 1.849 5.663 -2.348 1.00 1.33 H new ATOM 664 N PHE A 42 -0.904 7.594 -5.152 1.00 0.75 N ATOM 665 CA PHE A 42 -0.536 8.130 -6.454 1.00 0.94 C ATOM 666 C PHE A 42 -0.191 9.602 -6.271 1.00 1.21 C ATOM 667 O PHE A 42 -1.072 10.448 -6.123 1.00 2.07 O ATOM 668 CB PHE A 42 -1.674 7.955 -7.479 1.00 1.08 C ATOM 669 CG PHE A 42 -3.088 7.927 -6.917 1.00 1.11 C ATOM 670 CD1 PHE A 42 -3.531 6.818 -6.170 1.00 2.13 C ATOM 671 CD2 PHE A 42 -3.979 8.987 -7.175 1.00 1.78 C ATOM 672 CE1 PHE A 42 -4.832 6.787 -5.647 1.00 2.23 C ATOM 673 CE2 PHE A 42 -5.306 8.919 -6.717 1.00 1.81 C ATOM 674 CZ PHE A 42 -5.736 7.818 -5.954 1.00 1.35 C ATOM 0 H PHE A 42 -1.754 8.020 -4.783 1.00 0.75 H new ATOM 0 HA PHE A 42 0.323 7.586 -6.847 1.00 0.94 H new ATOM 0 HB2 PHE A 42 -1.610 8.767 -8.204 1.00 1.08 H new ATOM 0 HB3 PHE A 42 -1.504 7.027 -8.024 1.00 1.08 H new ATOM 0 HD1 PHE A 42 -2.864 5.986 -5.999 1.00 2.13 H new ATOM 0 HD2 PHE A 42 -3.642 9.853 -7.725 1.00 1.78 H new ATOM 0 HE1 PHE A 42 -5.139 5.971 -5.009 1.00 2.23 H new ATOM 0 HE2 PHE A 42 -5.998 9.714 -6.952 1.00 1.81 H new ATOM 0 HZ PHE A 42 -6.757 7.765 -5.606 1.00 1.35 H new ATOM 684 N THR A 43 1.104 9.895 -6.262 1.00 0.93 N ATOM 685 CA THR A 43 1.655 11.232 -6.303 1.00 1.30 C ATOM 686 C THR A 43 1.383 11.886 -7.664 1.00 1.66 C ATOM 687 O THR A 43 0.731 11.305 -8.528 1.00 3.20 O ATOM 688 CB THR A 43 3.161 11.105 -5.994 1.00 1.62 C ATOM 689 OG1 THR A 43 3.570 9.752 -6.064 1.00 2.79 O ATOM 690 CG2 THR A 43 3.423 11.593 -4.578 1.00 1.89 C ATOM 0 H THR A 43 1.823 9.173 -6.224 1.00 0.93 H new ATOM 0 HA THR A 43 1.186 11.883 -5.565 1.00 1.30 H new ATOM 0 HB THR A 43 3.713 11.697 -6.724 1.00 1.62 H new ATOM 0 HG1 THR A 43 4.360 9.678 -6.640 1.00 2.79 H new ATOM 0 HG21 THR A 43 4.486 11.506 -4.354 1.00 1.89 H new ATOM 0 HG22 THR A 43 3.118 12.636 -4.490 1.00 1.89 H new ATOM 0 HG23 THR A 43 2.853 10.988 -3.873 1.00 1.89 H new ATOM 771 N CYS A 49 -4.486 17.631 -0.261 1.00 1.28 N ATOM 772 CA CYS A 49 -5.638 18.086 0.506 1.00 1.36 C ATOM 773 C CYS A 49 -6.072 16.978 1.473 1.00 1.25 C ATOM 774 O CYS A 49 -6.087 17.220 2.680 1.00 1.27 O ATOM 775 CB CYS A 49 -6.788 18.561 -0.397 1.00 1.65 C ATOM 776 SG CYS A 49 -8.321 18.609 0.563 1.00 2.37 S ATOM 0 HA CYS A 49 -5.348 18.961 1.088 1.00 1.36 H new ATOM 0 HB2 CYS A 49 -6.566 19.550 -0.799 1.00 1.65 H new ATOM 0 HB3 CYS A 49 -6.899 17.889 -1.248 1.00 1.65 H new ATOM 0 HG CYS A 49 -9.296 19.012 -0.196 1.00 2.37 H new ATOM 782 N PRO A 50 -6.400 15.759 1.006 1.00 1.24 N ATOM 783 CA PRO A 50 -6.866 14.723 1.913 1.00 1.22 C ATOM 784 C PRO A 50 -5.707 14.171 2.757 1.00 1.00 C ATOM 785 O PRO A 50 -4.536 14.255 2.365 1.00 0.92 O ATOM 786 CB PRO A 50 -7.498 13.650 1.021 1.00 1.39 C ATOM 787 CG PRO A 50 -6.725 13.786 -0.288 1.00 1.43 C ATOM 788 CD PRO A 50 -6.434 15.284 -0.373 1.00 1.38 C ATOM 0 HA PRO A 50 -7.591 15.103 2.632 1.00 1.22 H new ATOM 0 HB2 PRO A 50 -7.390 12.654 1.451 1.00 1.39 H new ATOM 0 HB3 PRO A 50 -8.565 13.822 0.878 1.00 1.39 H new ATOM 0 HG2 PRO A 50 -5.807 13.198 -0.276 1.00 1.43 H new ATOM 0 HG3 PRO A 50 -7.312 13.442 -1.139 1.00 1.43 H new ATOM 0 HD2 PRO A 50 -5.484 15.470 -0.875 1.00 1.38 H new ATOM 0 HD3 PRO A 50 -7.204 15.800 -0.946 1.00 1.38 H new ATOM 796 N PRO A 51 -6.018 13.575 3.918 1.00 1.00 N ATOM 797 CA PRO A 51 -5.036 12.915 4.756 1.00 0.95 C ATOM 798 C PRO A 51 -4.622 11.593 4.109 1.00 0.97 C ATOM 799 O PRO A 51 -5.074 10.518 4.507 1.00 1.21 O ATOM 800 CB PRO A 51 -5.728 12.730 6.106 1.00 1.05 C ATOM 801 CG PRO A 51 -7.194 12.555 5.712 1.00 1.18 C ATOM 802 CD PRO A 51 -7.340 13.499 4.519 1.00 1.17 C ATOM 0 HA PRO A 51 -4.115 13.484 4.882 1.00 0.95 H new ATOM 0 HB2 PRO A 51 -5.346 11.860 6.641 1.00 1.05 H new ATOM 0 HB3 PRO A 51 -5.584 13.593 6.756 1.00 1.05 H new ATOM 0 HG2 PRO A 51 -7.420 11.524 5.441 1.00 1.18 H new ATOM 0 HG3 PRO A 51 -7.867 12.825 6.526 1.00 1.18 H new ATOM 0 HD2 PRO A 51 -8.073 13.121 3.807 1.00 1.17 H new ATOM 0 HD3 PRO A 51 -7.683 14.483 4.837 1.00 1.17 H new ATOM 810 N MET A 52 -3.757 11.694 3.098 1.00 0.86 N ATOM 811 CA MET A 52 -3.073 10.552 2.516 1.00 0.79 C ATOM 812 C MET A 52 -2.065 10.024 3.533 1.00 0.64 C ATOM 813 O MET A 52 -2.438 9.346 4.490 1.00 1.01 O ATOM 814 CB MET A 52 -2.416 10.918 1.173 1.00 0.90 C ATOM 815 CG MET A 52 -3.424 11.322 0.095 1.00 1.23 C ATOM 816 SD MET A 52 -2.696 11.456 -1.561 1.00 1.61 S ATOM 817 CE MET A 52 -4.129 11.976 -2.527 1.00 2.03 C ATOM 0 H MET A 52 -3.513 12.583 2.660 1.00 0.86 H new ATOM 0 HA MET A 52 -3.790 9.763 2.290 1.00 0.79 H new ATOM 0 HB2 MET A 52 -1.716 11.738 1.331 1.00 0.90 H new ATOM 0 HB3 MET A 52 -1.835 10.067 0.817 1.00 0.90 H new ATOM 0 HG2 MET A 52 -4.231 10.590 0.070 1.00 1.23 H new ATOM 0 HG3 MET A 52 -3.870 12.279 0.366 1.00 1.23 H new ATOM 0 HE1 MET A 52 -3.852 12.049 -3.579 1.00 2.03 H new ATOM 0 HE2 MET A 52 -4.930 11.245 -2.413 1.00 2.03 H new ATOM 0 HE3 MET A 52 -4.472 12.948 -2.174 1.00 2.03 H new ATOM 827 N THR A 53 -0.784 10.350 3.370 1.00 0.63 N ATOM 828 CA THR A 53 0.297 9.743 4.113 1.00 0.57 C ATOM 829 C THR A 53 0.472 10.502 5.422 1.00 0.78 C ATOM 830 O THR A 53 1.533 11.044 5.703 1.00 1.63 O ATOM 831 CB THR A 53 1.523 9.702 3.192 1.00 0.80 C ATOM 832 OG1 THR A 53 1.095 9.246 1.924 1.00 1.20 O ATOM 833 CG2 THR A 53 2.596 8.738 3.687 1.00 0.99 C ATOM 0 H THR A 53 -0.472 11.057 2.704 1.00 0.63 H new ATOM 0 HA THR A 53 0.105 8.711 4.408 1.00 0.57 H new ATOM 0 HB THR A 53 1.953 10.703 3.162 1.00 0.80 H new ATOM 0 HG1 THR A 53 1.828 8.766 1.484 1.00 1.20 H new ATOM 0 HG21 THR A 53 3.441 8.749 2.998 1.00 0.99 H new ATOM 0 HG22 THR A 53 2.932 9.045 4.678 1.00 0.99 H new ATOM 0 HG23 THR A 53 2.184 7.730 3.740 1.00 0.99 H new ATOM 841 N ALA A 54 -0.608 10.537 6.204 1.00 0.63 N ATOM 842 CA ALA A 54 -0.679 11.065 7.555 1.00 0.67 C ATOM 843 C ALA A 54 -0.944 9.876 8.472 1.00 0.64 C ATOM 844 O ALA A 54 -0.093 9.515 9.280 1.00 0.78 O ATOM 845 CB ALA A 54 -1.789 12.116 7.643 1.00 0.79 C ATOM 0 H ALA A 54 -1.507 10.174 5.886 1.00 0.63 H new ATOM 0 HA ALA A 54 0.245 11.562 7.850 1.00 0.67 H new ATOM 0 HB1 ALA A 54 -1.838 12.509 8.658 1.00 0.79 H new ATOM 0 HB2 ALA A 54 -1.576 12.929 6.949 1.00 0.79 H new ATOM 0 HB3 ALA A 54 -2.744 11.659 7.384 1.00 0.79 H new ATOM 851 N HIS A 55 -2.077 9.199 8.270 1.00 0.59 N ATOM 852 CA HIS A 55 -2.421 8.005 9.029 1.00 0.60 C ATOM 853 C HIS A 55 -1.283 6.986 8.947 1.00 0.53 C ATOM 854 O HIS A 55 -0.803 6.494 9.962 1.00 0.58 O ATOM 855 CB HIS A 55 -3.736 7.435 8.488 1.00 0.66 C ATOM 856 CG HIS A 55 -4.871 8.427 8.530 1.00 0.80 C ATOM 857 ND1 HIS A 55 -5.624 8.858 7.457 1.00 0.95 N ATOM 858 CD2 HIS A 55 -5.382 9.010 9.659 1.00 0.91 C ATOM 859 CE1 HIS A 55 -6.590 9.657 7.946 1.00 1.10 C ATOM 860 NE2 HIS A 55 -6.480 9.783 9.277 1.00 1.08 N ATOM 0 H HIS A 55 -2.776 9.466 7.577 1.00 0.59 H new ATOM 0 HA HIS A 55 -2.559 8.252 10.082 1.00 0.60 H new ATOM 0 HB2 HIS A 55 -3.587 7.106 7.460 1.00 0.66 H new ATOM 0 HB3 HIS A 55 -4.009 6.554 9.068 1.00 0.66 H new ATOM 0 HD2 HIS A 55 -5.004 8.893 10.664 1.00 0.91 H new ATOM 0 HE1 HIS A 55 -7.352 10.133 7.347 1.00 1.10 H new ATOM 0 HE2 HIS A 55 -7.080 10.335 9.889 1.00 1.08 H new ATOM 868 N MET A 56 -0.813 6.688 7.734 1.00 0.49 N ATOM 869 CA MET A 56 0.377 5.872 7.540 1.00 0.50 C ATOM 870 C MET A 56 1.562 6.311 8.424 1.00 0.53 C ATOM 871 O MET A 56 2.305 5.455 8.893 1.00 0.65 O ATOM 872 CB MET A 56 0.765 5.818 6.055 1.00 0.54 C ATOM 873 CG MET A 56 -0.312 5.258 5.115 1.00 0.65 C ATOM 874 SD MET A 56 -1.467 6.472 4.442 1.00 1.56 S ATOM 875 CE MET A 56 -2.588 5.441 3.486 1.00 2.35 C ATOM 0 H MET A 56 -1.246 7.005 6.867 1.00 0.49 H new ATOM 0 HA MET A 56 0.123 4.863 7.865 1.00 0.50 H new ATOM 0 HB2 MET A 56 1.022 6.825 5.727 1.00 0.54 H new ATOM 0 HB3 MET A 56 1.664 5.210 5.953 1.00 0.54 H new ATOM 0 HG2 MET A 56 0.182 4.754 4.285 1.00 0.65 H new ATOM 0 HG3 MET A 56 -0.882 4.501 5.654 1.00 0.65 H new ATOM 0 HE1 MET A 56 -3.294 6.073 2.948 1.00 2.35 H new ATOM 0 HE2 MET A 56 -2.017 4.847 2.773 1.00 2.35 H new ATOM 0 HE3 MET A 56 -3.133 4.777 4.157 1.00 2.35 H new ATOM 885 N THR A 57 1.766 7.611 8.681 1.00 0.52 N ATOM 886 CA THR A 57 2.841 8.061 9.573 1.00 0.60 C ATOM 887 C THR A 57 2.537 7.757 11.031 1.00 0.66 C ATOM 888 O THR A 57 3.399 7.254 11.754 1.00 0.74 O ATOM 889 CB THR A 57 3.219 9.534 9.389 1.00 0.68 C ATOM 890 OG1 THR A 57 2.347 10.451 10.013 1.00 1.76 O ATOM 891 CG2 THR A 57 3.318 9.863 7.909 1.00 1.79 C ATOM 0 H THR A 57 1.204 8.365 8.286 1.00 0.52 H new ATOM 0 HA THR A 57 3.715 7.481 9.278 1.00 0.60 H new ATOM 0 HB THR A 57 4.183 9.649 9.885 1.00 0.68 H new ATOM 0 HG1 THR A 57 1.425 10.267 9.736 1.00 1.76 H new ATOM 0 HG21 THR A 57 3.587 10.912 7.787 1.00 1.79 H new ATOM 0 HG22 THR A 57 4.081 9.236 7.447 1.00 1.79 H new ATOM 0 HG23 THR A 57 2.357 9.677 7.430 1.00 1.79 H new ATOM 899 N ASP A 58 1.304 8.031 11.462 1.00 0.65 N ATOM 900 CA ASP A 58 0.850 7.634 12.785 1.00 0.74 C ATOM 901 C ASP A 58 1.128 6.141 12.970 1.00 0.78 C ATOM 902 O ASP A 58 1.627 5.691 14.005 1.00 0.90 O ATOM 903 CB ASP A 58 -0.636 7.968 12.959 1.00 0.81 C ATOM 904 CG ASP A 58 -0.872 9.461 13.112 1.00 1.78 C ATOM 905 OD1 ASP A 58 -0.454 9.991 14.164 1.00 2.32 O ATOM 906 OD2 ASP A 58 -1.466 10.039 12.175 1.00 3.21 O ATOM 0 H ASP A 58 0.605 8.527 10.909 1.00 0.65 H new ATOM 0 HA ASP A 58 1.391 8.186 13.554 1.00 0.74 H new ATOM 0 HB2 ASP A 58 -1.193 7.600 12.098 1.00 0.81 H new ATOM 0 HB3 ASP A 58 -1.024 7.448 13.835 1.00 0.81 H new ATOM 911 N LEU A 59 0.852 5.371 11.917 1.00 0.73 N ATOM 912 CA LEU A 59 1.136 3.950 11.903 1.00 0.81 C ATOM 913 C LEU A 59 2.631 3.642 11.797 1.00 0.88 C ATOM 914 O LEU A 59 3.035 2.662 12.400 1.00 1.03 O ATOM 915 CB LEU A 59 0.253 3.174 10.915 1.00 0.73 C ATOM 916 CG LEU A 59 -1.078 2.746 11.562 1.00 0.75 C ATOM 917 CD1 LEU A 59 -2.063 3.908 11.527 1.00 1.06 C ATOM 918 CD2 LEU A 59 -1.676 1.530 10.851 1.00 0.93 C ATOM 0 H LEU A 59 0.427 5.720 11.058 1.00 0.73 H new ATOM 0 HA LEU A 59 0.849 3.568 12.883 1.00 0.81 H new ATOM 0 HB2 LEU A 59 0.051 3.794 10.042 1.00 0.73 H new ATOM 0 HB3 LEU A 59 0.788 2.292 10.563 1.00 0.73 H new ATOM 0 HG LEU A 59 -0.880 2.466 12.597 1.00 0.75 H new ATOM 0 HD11 LEU A 59 -3.003 3.602 11.985 1.00 1.06 H new ATOM 0 HD12 LEU A 59 -1.649 4.753 12.078 1.00 1.06 H new ATOM 0 HD13 LEU A 59 -2.242 4.202 10.493 1.00 1.06 H new ATOM 0 HD21 LEU A 59 -2.614 1.253 11.331 1.00 0.93 H new ATOM 0 HD22 LEU A 59 -1.862 1.775 9.805 1.00 0.93 H new ATOM 0 HD23 LEU A 59 -0.978 0.695 10.909 1.00 0.93 H new ATOM 930 N GLN A 60 3.468 4.436 11.116 1.00 0.81 N ATOM 931 CA GLN A 60 4.932 4.295 11.155 1.00 0.80 C ATOM 932 C GLN A 60 5.436 4.434 12.595 1.00 0.78 C ATOM 933 O GLN A 60 6.302 3.687 13.042 1.00 0.75 O ATOM 934 CB GLN A 60 5.618 5.313 10.223 1.00 0.86 C ATOM 935 CG GLN A 60 7.167 5.324 10.227 1.00 0.90 C ATOM 936 CD GLN A 60 7.879 4.207 9.455 1.00 1.56 C ATOM 937 OE1 GLN A 60 9.079 4.281 9.207 1.00 3.12 O ATOM 938 NE2 GLN A 60 7.165 3.178 9.022 1.00 2.20 N ATOM 0 H GLN A 60 3.148 5.199 10.519 1.00 0.81 H new ATOM 0 HA GLN A 60 5.191 3.300 10.792 1.00 0.80 H new ATOM 0 HB2 GLN A 60 5.281 5.122 9.204 1.00 0.86 H new ATOM 0 HB3 GLN A 60 5.270 6.310 10.492 1.00 0.86 H new ATOM 0 HG2 GLN A 60 7.499 6.280 9.821 1.00 0.90 H new ATOM 0 HG3 GLN A 60 7.502 5.285 11.263 1.00 0.90 H new ATOM 0 HE21 GLN A 60 6.168 3.124 9.232 1.00 2.20 H new ATOM 0 HE22 GLN A 60 7.612 2.440 8.478 1.00 2.20 H new ATOM 947 N LYS A 61 4.894 5.405 13.327 1.00 0.84 N ATOM 948 CA LYS A 61 5.223 5.620 14.725 1.00 0.89 C ATOM 949 C LYS A 61 4.826 4.380 15.528 1.00 0.79 C ATOM 950 O LYS A 61 5.681 3.757 16.159 1.00 0.80 O ATOM 951 CB LYS A 61 4.561 6.914 15.204 1.00 1.07 C ATOM 952 CG LYS A 61 4.888 7.266 16.659 1.00 1.12 C ATOM 953 CD LYS A 61 4.272 8.640 16.962 1.00 1.36 C ATOM 954 CE LYS A 61 4.529 9.066 18.413 1.00 2.26 C ATOM 955 NZ LYS A 61 3.912 10.377 18.710 1.00 2.81 N ATOM 0 H LYS A 61 4.210 6.067 12.960 1.00 0.84 H new ATOM 0 HA LYS A 61 6.295 5.752 14.871 1.00 0.89 H new ATOM 0 HB2 LYS A 61 4.878 7.735 14.560 1.00 1.07 H new ATOM 0 HB3 LYS A 61 3.480 6.822 15.095 1.00 1.07 H new ATOM 0 HG2 LYS A 61 4.486 6.510 17.334 1.00 1.12 H new ATOM 0 HG3 LYS A 61 5.967 7.289 16.813 1.00 1.12 H new ATOM 0 HD2 LYS A 61 4.690 9.384 16.284 1.00 1.36 H new ATOM 0 HD3 LYS A 61 3.198 8.607 16.776 1.00 1.36 H new ATOM 0 HE2 LYS A 61 4.129 8.312 19.091 1.00 2.26 H new ATOM 0 HE3 LYS A 61 5.603 9.119 18.593 1.00 2.26 H new ATOM 0 HZ1 LYS A 61 4.105 10.635 19.699 1.00 2.81 H new ATOM 0 HZ2 LYS A 61 4.313 11.100 18.079 1.00 2.81 H new ATOM 0 HZ3 LYS A 61 2.884 10.319 18.561 1.00 2.81 H new ATOM 969 N LYS A 62 3.545 3.992 15.471 1.00 0.79 N ATOM 970 CA LYS A 62 3.069 2.759 16.101 1.00 0.76 C ATOM 971 C LYS A 62 3.935 1.569 15.687 1.00 0.62 C ATOM 972 O LYS A 62 4.238 0.726 16.523 1.00 0.63 O ATOM 973 CB LYS A 62 1.592 2.526 15.748 1.00 0.86 C ATOM 974 CG LYS A 62 0.926 1.419 16.583 1.00 1.32 C ATOM 975 CD LYS A 62 0.622 1.890 18.016 1.00 2.18 C ATOM 976 CE LYS A 62 -0.166 0.844 18.821 1.00 3.07 C ATOM 977 NZ LYS A 62 0.638 -0.354 19.137 1.00 4.39 N ATOM 0 H LYS A 62 2.817 4.521 14.991 1.00 0.79 H new ATOM 0 HA LYS A 62 3.150 2.861 17.183 1.00 0.76 H new ATOM 0 HB2 LYS A 62 1.042 3.457 15.889 1.00 0.86 H new ATOM 0 HB3 LYS A 62 1.516 2.268 14.692 1.00 0.86 H new ATOM 0 HG2 LYS A 62 0.001 1.105 16.099 1.00 1.32 H new ATOM 0 HG3 LYS A 62 1.579 0.547 16.618 1.00 1.32 H new ATOM 0 HD2 LYS A 62 1.558 2.110 18.530 1.00 2.18 H new ATOM 0 HD3 LYS A 62 0.053 2.819 17.977 1.00 2.18 H new ATOM 0 HE2 LYS A 62 -0.519 1.295 19.748 1.00 3.07 H new ATOM 0 HE3 LYS A 62 -1.049 0.546 18.256 1.00 3.07 H new ATOM 0 HZ1 LYS A 62 0.095 -0.981 19.765 1.00 4.39 H new ATOM 0 HZ2 LYS A 62 0.868 -0.859 18.258 1.00 4.39 H new ATOM 0 HZ3 LYS A 62 1.518 -0.066 19.611 1.00 4.39 H new ATOM 991 N LEU A 63 4.361 1.520 14.423 1.00 0.60 N ATOM 992 CA LEU A 63 5.208 0.482 13.851 1.00 0.54 C ATOM 993 C LEU A 63 6.392 0.197 14.757 1.00 0.56 C ATOM 994 O LEU A 63 6.790 -0.951 14.881 1.00 0.59 O ATOM 995 CB LEU A 63 5.702 0.858 12.453 1.00 0.71 C ATOM 996 CG LEU A 63 5.635 -0.274 11.427 1.00 0.98 C ATOM 997 CD1 LEU A 63 6.456 -1.482 11.858 1.00 1.20 C ATOM 998 CD2 LEU A 63 4.204 -0.675 11.050 1.00 1.16 C ATOM 0 H LEU A 63 4.111 2.238 13.743 1.00 0.60 H new ATOM 0 HA LEU A 63 4.599 -0.418 13.763 1.00 0.54 H new ATOM 0 HB2 LEU A 63 5.111 1.698 12.087 1.00 0.71 H new ATOM 0 HB3 LEU A 63 6.733 1.203 12.527 1.00 0.71 H new ATOM 0 HG LEU A 63 6.084 0.129 10.519 1.00 0.98 H new ATOM 0 HD11 LEU A 63 6.380 -2.262 11.101 1.00 1.20 H new ATOM 0 HD12 LEU A 63 7.500 -1.190 11.975 1.00 1.20 H new ATOM 0 HD13 LEU A 63 6.076 -1.860 12.807 1.00 1.20 H new ATOM 0 HD21 LEU A 63 4.233 -1.483 10.319 1.00 1.16 H new ATOM 0 HD22 LEU A 63 3.674 -1.011 11.941 1.00 1.16 H new ATOM 0 HD23 LEU A 63 3.686 0.183 10.622 1.00 1.16 H new ATOM 1010 N LYS A 64 6.954 1.203 15.430 1.00 0.64 N ATOM 1011 CA LYS A 64 8.081 0.938 16.319 1.00 0.76 C ATOM 1012 C LYS A 64 7.748 -0.113 17.392 1.00 0.81 C ATOM 1013 O LYS A 64 8.620 -0.885 17.783 1.00 0.92 O ATOM 1014 CB LYS A 64 8.667 2.251 16.869 1.00 0.89 C ATOM 1015 CG LYS A 64 9.014 3.308 15.795 1.00 1.30 C ATOM 1016 CD LYS A 64 10.347 3.126 15.038 1.00 1.19 C ATOM 1017 CE LYS A 64 10.498 1.721 14.446 1.00 1.86 C ATOM 1018 NZ LYS A 64 11.432 1.630 13.315 1.00 2.35 N ATOM 0 H LYS A 64 6.658 2.178 15.379 1.00 0.64 H new ATOM 0 HA LYS A 64 8.878 0.478 15.735 1.00 0.76 H new ATOM 0 HB2 LYS A 64 7.953 2.686 17.569 1.00 0.89 H new ATOM 0 HB3 LYS A 64 9.569 2.020 17.436 1.00 0.89 H new ATOM 0 HG2 LYS A 64 8.207 3.324 15.062 1.00 1.30 H new ATOM 0 HG3 LYS A 64 9.028 4.287 16.275 1.00 1.30 H new ATOM 0 HD2 LYS A 64 10.410 3.863 14.237 1.00 1.19 H new ATOM 0 HD3 LYS A 64 11.177 3.322 15.717 1.00 1.19 H new ATOM 0 HE2 LYS A 64 10.833 1.044 15.232 1.00 1.86 H new ATOM 0 HE3 LYS A 64 9.518 1.371 14.120 1.00 1.86 H new ATOM 0 HZ1 LYS A 64 11.722 0.640 13.183 1.00 2.35 H new ATOM 0 HZ2 LYS A 64 10.965 1.972 12.451 1.00 2.35 H new ATOM 0 HZ3 LYS A 64 12.270 2.214 13.509 1.00 2.35 H new ATOM 1032 N ALA A 65 6.492 -0.177 17.837 1.00 0.78 N ATOM 1033 CA ALA A 65 5.972 -1.234 18.698 1.00 0.86 C ATOM 1034 C ALA A 65 5.674 -2.549 17.977 1.00 0.83 C ATOM 1035 O ALA A 65 5.711 -3.607 18.601 1.00 1.05 O ATOM 1036 CB ALA A 65 4.730 -0.711 19.426 1.00 0.94 C ATOM 0 H ALA A 65 5.791 0.525 17.600 1.00 0.78 H new ATOM 0 HA ALA A 65 6.760 -1.484 19.409 1.00 0.86 H new ATOM 0 HB1 ALA A 65 4.332 -1.492 20.073 1.00 0.94 H new ATOM 0 HB2 ALA A 65 5.000 0.157 20.028 1.00 0.94 H new ATOM 0 HB3 ALA A 65 3.974 -0.425 18.695 1.00 0.94 H new ATOM 1042 N GLU A 66 5.361 -2.490 16.683 1.00 0.66 N ATOM 1043 CA GLU A 66 4.968 -3.637 15.885 1.00 0.65 C ATOM 1044 C GLU A 66 6.189 -4.184 15.145 1.00 0.56 C ATOM 1045 O GLU A 66 6.078 -5.195 14.462 1.00 0.62 O ATOM 1046 CB GLU A 66 3.874 -3.247 14.875 1.00 0.65 C ATOM 1047 CG GLU A 66 2.799 -2.289 15.405 1.00 0.82 C ATOM 1048 CD GLU A 66 2.130 -2.761 16.684 1.00 0.92 C ATOM 1049 OE1 GLU A 66 1.769 -3.952 16.753 1.00 1.58 O ATOM 1050 OE2 GLU A 66 1.938 -1.893 17.565 1.00 2.28 O ATOM 0 H GLU A 66 5.376 -1.619 16.153 1.00 0.66 H new ATOM 0 HA GLU A 66 4.566 -4.405 16.546 1.00 0.65 H new ATOM 0 HB2 GLU A 66 4.350 -2.788 14.009 1.00 0.65 H new ATOM 0 HB3 GLU A 66 3.385 -4.156 14.525 1.00 0.65 H new ATOM 0 HG2 GLU A 66 3.251 -1.313 15.582 1.00 0.82 H new ATOM 0 HG3 GLU A 66 2.037 -2.153 14.637 1.00 0.82 H new ATOM 1057 N ASN A 67 7.331 -3.483 15.231 1.00 0.56 N ATOM 1058 CA ASN A 67 8.396 -3.515 14.256 1.00 0.50 C ATOM 1059 C ASN A 67 8.817 -4.923 13.932 1.00 0.81 C ATOM 1060 O ASN A 67 9.041 -5.180 12.762 1.00 1.63 O ATOM 1061 CB ASN A 67 9.599 -2.678 14.724 1.00 0.73 C ATOM 1062 CG ASN A 67 10.453 -2.186 13.555 1.00 1.36 C ATOM 1063 OD1 ASN A 67 10.816 -1.009 13.488 1.00 2.19 O ATOM 1064 ND2 ASN A 67 10.777 -3.048 12.602 1.00 1.99 N ATOM 0 H ASN A 67 7.530 -2.861 16.015 1.00 0.56 H new ATOM 0 HA ASN A 67 8.007 -3.072 13.339 1.00 0.50 H new ATOM 0 HB2 ASN A 67 9.242 -1.822 15.296 1.00 0.73 H new ATOM 0 HB3 ASN A 67 10.216 -3.276 15.395 1.00 0.73 H new ATOM 0 HD21 ASN A 67 11.332 -2.740 11.803 1.00 1.99 H new ATOM 0 HD22 ASN A 67 10.472 -4.019 12.667 1.00 1.99 H new ATOM 1071 N ILE A 68 8.972 -5.762 14.960 1.00 0.62 N ATOM 1072 CA ILE A 68 9.632 -7.085 14.884 1.00 0.74 C ATOM 1073 C ILE A 68 10.494 -7.214 13.598 1.00 0.72 C ATOM 1074 O ILE A 68 11.590 -6.651 13.587 1.00 0.84 O ATOM 1075 CB ILE A 68 8.650 -8.249 15.155 1.00 0.89 C ATOM 1076 CG1 ILE A 68 8.020 -8.205 16.566 1.00 1.06 C ATOM 1077 CG2 ILE A 68 9.375 -9.606 15.074 1.00 0.94 C ATOM 1078 CD1 ILE A 68 6.836 -7.250 16.735 1.00 1.35 C ATOM 0 H ILE A 68 8.636 -5.541 15.897 1.00 0.62 H new ATOM 0 HA ILE A 68 10.348 -7.164 15.702 1.00 0.74 H new ATOM 0 HB ILE A 68 7.876 -8.138 14.395 1.00 0.89 H new ATOM 0 HG12 ILE A 68 7.692 -9.211 16.829 1.00 1.06 H new ATOM 0 HG13 ILE A 68 8.794 -7.925 17.281 1.00 1.06 H new ATOM 0 HG21 ILE A 68 8.665 -10.410 15.268 1.00 0.94 H new ATOM 0 HG22 ILE A 68 9.802 -9.731 14.079 1.00 0.94 H new ATOM 0 HG23 ILE A 68 10.171 -9.638 15.818 1.00 0.94 H new ATOM 0 HD11 ILE A 68 6.472 -7.299 17.761 1.00 1.35 H new ATOM 0 HD12 ILE A 68 7.155 -6.232 16.511 1.00 1.35 H new ATOM 0 HD13 ILE A 68 6.036 -7.538 16.053 1.00 1.35 H new ATOM 1090 N ASP A 69 9.994 -7.811 12.500 1.00 0.72 N ATOM 1091 CA ASP A 69 10.310 -7.365 11.137 1.00 0.72 C ATOM 1092 C ASP A 69 9.050 -7.343 10.265 1.00 0.69 C ATOM 1093 O ASP A 69 9.021 -7.808 9.124 1.00 0.98 O ATOM 1094 CB ASP A 69 11.448 -8.144 10.497 1.00 0.93 C ATOM 1095 CG ASP A 69 11.851 -7.552 9.142 1.00 1.05 C ATOM 1096 OD1 ASP A 69 11.671 -6.334 8.923 1.00 1.93 O ATOM 1097 OD2 ASP A 69 12.320 -8.315 8.271 1.00 1.81 O ATOM 0 H ASP A 69 9.363 -8.612 12.536 1.00 0.72 H new ATOM 0 HA ASP A 69 10.679 -6.342 11.216 1.00 0.72 H new ATOM 0 HB2 ASP A 69 12.310 -8.143 11.165 1.00 0.93 H new ATOM 0 HB3 ASP A 69 11.148 -9.183 10.365 1.00 0.93 H new ATOM 1102 N VAL A 70 8.004 -6.726 10.803 1.00 0.52 N ATOM 1103 CA VAL A 70 6.925 -6.183 10.009 1.00 0.44 C ATOM 1104 C VAL A 70 7.442 -4.846 9.471 1.00 0.40 C ATOM 1105 O VAL A 70 8.074 -4.072 10.192 1.00 0.47 O ATOM 1106 CB VAL A 70 5.615 -6.064 10.824 1.00 0.48 C ATOM 1107 CG1 VAL A 70 5.479 -7.141 11.910 1.00 0.59 C ATOM 1108 CG2 VAL A 70 5.385 -4.682 11.446 1.00 0.49 C ATOM 0 H VAL A 70 7.887 -6.591 11.807 1.00 0.52 H new ATOM 0 HA VAL A 70 6.654 -6.839 9.182 1.00 0.44 H new ATOM 0 HB VAL A 70 4.839 -6.221 10.075 1.00 0.48 H new ATOM 0 HG11 VAL A 70 4.540 -7.002 12.445 1.00 0.59 H new ATOM 0 HG12 VAL A 70 5.490 -8.128 11.447 1.00 0.59 H new ATOM 0 HG13 VAL A 70 6.311 -7.059 12.610 1.00 0.59 H new ATOM 0 HG21 VAL A 70 4.446 -4.684 12.000 1.00 0.49 H new ATOM 0 HG22 VAL A 70 6.205 -4.447 12.124 1.00 0.49 H new ATOM 0 HG23 VAL A 70 5.340 -3.931 10.657 1.00 0.49 H new ATOM 1118 N ARG A 71 7.179 -4.559 8.202 1.00 0.40 N ATOM 1119 CA ARG A 71 7.438 -3.264 7.599 1.00 0.36 C ATOM 1120 C ARG A 71 6.114 -2.783 7.036 1.00 0.44 C ATOM 1121 O ARG A 71 5.222 -3.588 6.762 1.00 0.73 O ATOM 1122 CB ARG A 71 8.571 -3.378 6.570 1.00 0.52 C ATOM 1123 CG ARG A 71 9.912 -3.166 7.290 1.00 0.60 C ATOM 1124 CD ARG A 71 11.115 -3.627 6.467 1.00 0.57 C ATOM 1125 NE ARG A 71 11.285 -5.084 6.570 1.00 0.64 N ATOM 1126 CZ ARG A 71 11.403 -5.985 5.581 1.00 0.68 C ATOM 1127 NH1 ARG A 71 11.308 -5.652 4.284 1.00 0.76 N ATOM 1128 NH2 ARG A 71 11.625 -7.259 5.912 1.00 0.86 N ATOM 0 H ARG A 71 6.773 -5.234 7.554 1.00 0.40 H new ATOM 0 HA ARG A 71 7.795 -2.523 8.314 1.00 0.36 H new ATOM 0 HB2 ARG A 71 8.550 -4.357 6.091 1.00 0.52 H new ATOM 0 HB3 ARG A 71 8.443 -2.635 5.783 1.00 0.52 H new ATOM 0 HG2 ARG A 71 10.026 -2.108 7.528 1.00 0.60 H new ATOM 0 HG3 ARG A 71 9.899 -3.706 8.237 1.00 0.60 H new ATOM 0 HD2 ARG A 71 10.978 -3.344 5.423 1.00 0.57 H new ATOM 0 HD3 ARG A 71 12.016 -3.125 6.818 1.00 0.57 H new ATOM 0 HE ARG A 71 11.318 -5.460 7.518 1.00 0.64 H new ATOM 0 HH11 ARG A 71 11.140 -4.682 4.018 1.00 0.76 H new ATOM 0 HH12 ARG A 71 11.404 -6.369 3.565 1.00 0.76 H new ATOM 0 HH21 ARG A 71 11.700 -7.525 6.894 1.00 0.86 H new ATOM 0 HH22 ARG A 71 11.719 -7.966 5.183 1.00 0.86 H new ATOM 1142 N ILE A 72 5.964 -1.465 6.930 1.00 0.29 N ATOM 1143 CA ILE A 72 4.843 -0.885 6.220 1.00 0.29 C ATOM 1144 C ILE A 72 5.354 -0.712 4.782 1.00 0.28 C ATOM 1145 O ILE A 72 6.261 0.081 4.530 1.00 0.34 O ATOM 1146 CB ILE A 72 4.328 0.384 6.958 1.00 0.30 C ATOM 1147 CG1 ILE A 72 3.047 1.055 6.419 1.00 0.49 C ATOM 1148 CG2 ILE A 72 5.383 1.472 7.116 1.00 0.40 C ATOM 1149 CD1 ILE A 72 2.939 0.997 4.909 1.00 2.03 C ATOM 0 H ILE A 72 6.609 -0.783 7.330 1.00 0.29 H new ATOM 0 HA ILE A 72 3.942 -1.498 6.187 1.00 0.29 H new ATOM 0 HB ILE A 72 4.070 -0.061 7.919 1.00 0.30 H new ATOM 0 HG12 ILE A 72 2.176 0.569 6.859 1.00 0.49 H new ATOM 0 HG13 ILE A 72 3.027 2.097 6.740 1.00 0.49 H new ATOM 0 HG21 ILE A 72 4.951 2.325 7.639 1.00 0.40 H new ATOM 0 HG22 ILE A 72 6.224 1.083 7.690 1.00 0.40 H new ATOM 0 HG23 ILE A 72 5.730 1.788 6.132 1.00 0.40 H new ATOM 0 HD11 ILE A 72 2.018 1.485 4.591 1.00 2.03 H new ATOM 0 HD12 ILE A 72 3.793 1.508 4.463 1.00 2.03 H new ATOM 0 HD13 ILE A 72 2.929 -0.044 4.585 1.00 2.03 H new ATOM 1161 N ILE A 73 4.851 -1.509 3.839 1.00 0.27 N ATOM 1162 CA ILE A 73 5.181 -1.368 2.437 1.00 0.28 C ATOM 1163 C ILE A 73 4.181 -0.403 1.827 1.00 0.32 C ATOM 1164 O ILE A 73 3.006 -0.392 2.189 1.00 0.45 O ATOM 1165 CB ILE A 73 5.108 -2.748 1.767 1.00 0.31 C ATOM 1166 CG1 ILE A 73 6.335 -3.638 2.014 1.00 0.56 C ATOM 1167 CG2 ILE A 73 4.909 -2.663 0.248 1.00 0.38 C ATOM 1168 CD1 ILE A 73 6.711 -3.830 3.485 1.00 0.63 C ATOM 0 H ILE A 73 4.202 -2.271 4.036 1.00 0.27 H new ATOM 0 HA ILE A 73 6.190 -0.979 2.296 1.00 0.28 H new ATOM 0 HB ILE A 73 4.239 -3.202 2.243 1.00 0.31 H new ATOM 0 HG12 ILE A 73 6.150 -4.617 1.572 1.00 0.56 H new ATOM 0 HG13 ILE A 73 7.188 -3.208 1.490 1.00 0.56 H new ATOM 0 HG21 ILE A 73 4.865 -3.669 -0.170 1.00 0.38 H new ATOM 0 HG22 ILE A 73 3.978 -2.139 0.032 1.00 0.38 H new ATOM 0 HG23 ILE A 73 5.743 -2.121 -0.198 1.00 0.38 H new ATOM 0 HD11 ILE A 73 7.589 -4.473 3.555 1.00 0.63 H new ATOM 0 HD12 ILE A 73 6.934 -2.862 3.933 1.00 0.63 H new ATOM 0 HD13 ILE A 73 5.879 -4.293 4.016 1.00 0.63 H new ATOM 1180 N SER A 74 4.630 0.401 0.868 1.00 0.34 N ATOM 1181 CA SER A 74 3.712 1.225 0.117 1.00 0.40 C ATOM 1182 C SER A 74 4.220 1.319 -1.309 1.00 0.39 C ATOM 1183 O SER A 74 5.356 1.739 -1.516 1.00 0.51 O ATOM 1184 CB SER A 74 3.591 2.577 0.812 1.00 0.58 C ATOM 1185 OG SER A 74 2.459 3.279 0.335 1.00 1.66 O ATOM 0 H SER A 74 5.610 0.494 0.601 1.00 0.34 H new ATOM 0 HA SER A 74 2.709 0.800 0.077 1.00 0.40 H new ATOM 0 HB2 SER A 74 3.510 2.433 1.889 1.00 0.58 H new ATOM 0 HB3 SER A 74 4.492 3.165 0.636 1.00 0.58 H new ATOM 0 HG SER A 74 2.394 4.144 0.792 1.00 1.66 H new ATOM 1191 N PHE A 75 3.427 0.856 -2.277 1.00 0.58 N ATOM 1192 CA PHE A 75 3.834 0.849 -3.673 1.00 0.68 C ATOM 1193 C PHE A 75 3.374 2.123 -4.373 1.00 0.61 C ATOM 1194 O PHE A 75 2.337 2.687 -4.016 1.00 0.60 O ATOM 1195 CB PHE A 75 3.345 -0.419 -4.383 1.00 0.97 C ATOM 1196 CG PHE A 75 1.885 -0.785 -4.186 1.00 0.68 C ATOM 1197 CD1 PHE A 75 1.523 -1.691 -3.171 1.00 1.95 C ATOM 1198 CD2 PHE A 75 0.923 -0.378 -5.130 1.00 2.04 C ATOM 1199 CE1 PHE A 75 0.243 -2.270 -3.167 1.00 2.15 C ATOM 1200 CE2 PHE A 75 -0.359 -0.958 -5.127 1.00 2.06 C ATOM 1201 CZ PHE A 75 -0.689 -1.924 -4.161 1.00 1.17 C ATOM 0 H PHE A 75 2.493 0.480 -2.112 1.00 0.58 H new ATOM 0 HA PHE A 75 4.923 0.833 -3.719 1.00 0.68 H new ATOM 0 HB2 PHE A 75 3.527 -0.303 -5.452 1.00 0.97 H new ATOM 0 HB3 PHE A 75 3.955 -1.256 -4.045 1.00 0.97 H new ATOM 0 HD1 PHE A 75 2.230 -1.941 -2.394 1.00 1.95 H new ATOM 0 HD2 PHE A 75 1.170 0.381 -5.858 1.00 2.04 H new ATOM 0 HE1 PHE A 75 -0.025 -2.981 -2.400 1.00 2.15 H new ATOM 0 HE2 PHE A 75 -1.088 -0.661 -5.866 1.00 2.06 H new ATOM 0 HZ PHE A 75 -1.658 -2.400 -4.182 1.00 1.17 H new ATOM 1211 N SER A 76 4.122 2.554 -5.394 1.00 0.59 N ATOM 1212 CA SER A 76 3.689 3.683 -6.201 1.00 0.53 C ATOM 1213 C SER A 76 2.548 3.229 -7.101 1.00 0.46 C ATOM 1214 O SER A 76 2.356 2.039 -7.353 1.00 0.62 O ATOM 1215 CB SER A 76 4.823 4.238 -7.072 1.00 0.66 C ATOM 1216 OG SER A 76 4.471 5.552 -7.474 1.00 1.67 O ATOM 0 H SER A 76 5.013 2.143 -5.672 1.00 0.59 H new ATOM 0 HA SER A 76 3.368 4.478 -5.528 1.00 0.53 H new ATOM 0 HB2 SER A 76 5.760 4.249 -6.515 1.00 0.66 H new ATOM 0 HB3 SER A 76 4.978 3.603 -7.944 1.00 0.66 H new ATOM 0 HG SER A 76 5.284 6.067 -7.657 1.00 1.67 H new ATOM 1222 N VAL A 77 1.783 4.207 -7.567 1.00 0.84 N ATOM 1223 CA VAL A 77 0.567 4.028 -8.325 1.00 0.70 C ATOM 1224 C VAL A 77 0.698 4.979 -9.510 1.00 0.71 C ATOM 1225 O VAL A 77 0.853 6.180 -9.310 1.00 0.73 O ATOM 1226 CB VAL A 77 -0.620 4.345 -7.410 1.00 0.64 C ATOM 1227 CG1 VAL A 77 -1.936 4.242 -8.193 1.00 0.70 C ATOM 1228 CG2 VAL A 77 -0.693 3.366 -6.234 1.00 0.84 C ATOM 0 H VAL A 77 2.010 5.190 -7.416 1.00 0.84 H new ATOM 0 HA VAL A 77 0.404 3.014 -8.692 1.00 0.70 H new ATOM 0 HB VAL A 77 -0.476 5.358 -7.033 1.00 0.64 H new ATOM 0 HG11 VAL A 77 -2.772 4.470 -7.531 1.00 0.70 H new ATOM 0 HG12 VAL A 77 -1.924 4.952 -9.020 1.00 0.70 H new ATOM 0 HG13 VAL A 77 -2.048 3.231 -8.585 1.00 0.70 H new ATOM 0 HG21 VAL A 77 -1.546 3.618 -5.603 1.00 0.84 H new ATOM 0 HG22 VAL A 77 -0.809 2.350 -6.613 1.00 0.84 H new ATOM 0 HG23 VAL A 77 0.224 3.432 -5.648 1.00 0.84 H new ATOM 1238 N ASP A 78 0.737 4.408 -10.717 1.00 1.04 N ATOM 1239 CA ASP A 78 1.372 4.992 -11.890 1.00 0.98 C ATOM 1240 C ASP A 78 2.792 5.446 -11.538 1.00 0.73 C ATOM 1241 O ASP A 78 3.092 6.638 -11.522 1.00 0.77 O ATOM 1242 CB ASP A 78 0.542 6.101 -12.541 1.00 1.14 C ATOM 1243 CG ASP A 78 1.064 6.433 -13.938 1.00 1.35 C ATOM 1244 OD1 ASP A 78 2.284 6.268 -14.190 1.00 1.95 O ATOM 1245 OD2 ASP A 78 0.216 6.847 -14.758 1.00 2.26 O ATOM 0 H ASP A 78 0.313 3.499 -10.905 1.00 1.04 H new ATOM 0 HA ASP A 78 1.436 4.216 -12.653 1.00 0.98 H new ATOM 0 HB2 ASP A 78 -0.501 5.789 -12.604 1.00 1.14 H new ATOM 0 HB3 ASP A 78 0.571 6.994 -11.917 1.00 1.14 H new ATOM 1250 N PRO A 79 3.695 4.489 -11.265 1.00 0.71 N ATOM 1251 CA PRO A 79 5.110 4.786 -11.162 1.00 0.72 C ATOM 1252 C PRO A 79 5.610 5.486 -12.425 1.00 0.68 C ATOM 1253 O PRO A 79 6.510 6.317 -12.339 1.00 0.94 O ATOM 1254 CB PRO A 79 5.826 3.450 -10.942 1.00 1.05 C ATOM 1255 CG PRO A 79 4.807 2.406 -11.385 1.00 1.17 C ATOM 1256 CD PRO A 79 3.455 3.062 -11.140 1.00 0.95 C ATOM 0 HA PRO A 79 5.309 5.466 -10.334 1.00 0.72 H new ATOM 0 HB2 PRO A 79 6.742 3.387 -11.529 1.00 1.05 H new ATOM 0 HB3 PRO A 79 6.107 3.315 -9.897 1.00 1.05 H new ATOM 0 HG2 PRO A 79 4.937 2.146 -12.435 1.00 1.17 H new ATOM 0 HG3 PRO A 79 4.910 1.484 -10.813 1.00 1.17 H new ATOM 0 HD2 PRO A 79 2.715 2.722 -11.865 1.00 0.95 H new ATOM 0 HD3 PRO A 79 3.070 2.813 -10.151 1.00 0.95 H new ATOM 1264 N GLU A 80 5.065 5.164 -13.602 1.00 0.60 N ATOM 1265 CA GLU A 80 5.646 5.667 -14.838 1.00 0.74 C ATOM 1266 C GLU A 80 5.650 7.195 -14.903 1.00 0.77 C ATOM 1267 O GLU A 80 6.700 7.765 -15.215 1.00 0.97 O ATOM 1268 CB GLU A 80 5.050 4.987 -16.070 1.00 1.02 C ATOM 1269 CG GLU A 80 5.685 3.594 -16.159 1.00 1.82 C ATOM 1270 CD GLU A 80 5.187 2.809 -17.354 1.00 2.30 C ATOM 1271 OE1 GLU A 80 5.558 3.169 -18.488 1.00 2.75 O ATOM 1272 OE2 GLU A 80 4.431 1.853 -17.084 1.00 3.03 O ATOM 0 H GLU A 80 4.243 4.572 -13.719 1.00 0.60 H new ATOM 0 HA GLU A 80 6.700 5.388 -14.839 1.00 0.74 H new ATOM 0 HB2 GLU A 80 3.966 4.913 -15.984 1.00 1.02 H new ATOM 0 HB3 GLU A 80 5.259 5.565 -16.970 1.00 1.02 H new ATOM 0 HG2 GLU A 80 6.769 3.695 -16.220 1.00 1.82 H new ATOM 0 HG3 GLU A 80 5.467 3.039 -15.246 1.00 1.82 H new ATOM 1279 N ASN A 81 4.550 7.874 -14.555 1.00 0.78 N ATOM 1280 CA ASN A 81 4.583 9.335 -14.381 1.00 0.98 C ATOM 1281 C ASN A 81 4.562 9.756 -12.909 1.00 1.14 C ATOM 1282 O ASN A 81 4.106 10.850 -12.584 1.00 2.23 O ATOM 1283 CB ASN A 81 3.568 10.073 -15.267 1.00 1.49 C ATOM 1284 CG ASN A 81 2.132 9.660 -14.994 1.00 1.69 C ATOM 1285 OD1 ASN A 81 1.507 10.135 -14.053 1.00 2.83 O ATOM 1286 ND2 ASN A 81 1.613 8.779 -15.838 1.00 2.14 N ATOM 0 H ASN A 81 3.639 7.446 -14.390 1.00 0.78 H new ATOM 0 HA ASN A 81 5.553 9.665 -14.752 1.00 0.98 H new ATOM 0 HB2 ASN A 81 3.668 11.147 -15.108 1.00 1.49 H new ATOM 0 HB3 ASN A 81 3.802 9.883 -16.314 1.00 1.49 H new ATOM 0 HD21 ASN A 81 0.650 8.466 -15.720 1.00 2.14 H new ATOM 0 HD22 ASN A 81 2.177 8.414 -16.606 1.00 2.14 H new ATOM 1293 N ASP A 82 5.196 8.950 -12.053 1.00 0.95 N ATOM 1294 CA ASP A 82 5.675 9.348 -10.736 1.00 1.02 C ATOM 1295 C ASP A 82 7.193 9.152 -10.755 1.00 1.23 C ATOM 1296 O ASP A 82 7.919 10.053 -11.173 1.00 2.72 O ATOM 1297 CB ASP A 82 4.956 8.517 -9.664 1.00 1.30 C ATOM 1298 CG ASP A 82 5.683 8.480 -8.332 1.00 2.98 C ATOM 1299 OD1 ASP A 82 5.663 9.513 -7.630 1.00 3.28 O ATOM 1300 OD2 ASP A 82 6.275 7.407 -8.066 1.00 4.65 O ATOM 0 H ASP A 82 5.394 7.973 -12.269 1.00 0.95 H new ATOM 0 HA ASP A 82 5.460 10.389 -10.495 1.00 1.02 H new ATOM 0 HB2 ASP A 82 3.956 8.924 -9.511 1.00 1.30 H new ATOM 0 HB3 ASP A 82 4.833 7.497 -10.029 1.00 1.30 H new ATOM 1305 N LYS A 83 7.642 7.952 -10.381 1.00 0.93 N ATOM 1306 CA LYS A 83 9.008 7.504 -10.172 1.00 0.88 C ATOM 1307 C LYS A 83 9.429 7.907 -8.755 1.00 0.74 C ATOM 1308 O LYS A 83 9.107 9.009 -8.313 1.00 0.77 O ATOM 1309 CB LYS A 83 9.967 7.933 -11.286 1.00 1.03 C ATOM 1310 CG LYS A 83 9.499 7.411 -12.656 1.00 1.71 C ATOM 1311 CD LYS A 83 10.412 7.892 -13.793 1.00 1.90 C ATOM 1312 CE LYS A 83 10.000 9.284 -14.296 1.00 1.93 C ATOM 1313 NZ LYS A 83 8.849 9.225 -15.222 1.00 2.46 N ATOM 0 H LYS A 83 6.982 7.195 -10.200 1.00 0.93 H new ATOM 0 HA LYS A 83 9.058 6.417 -10.240 1.00 0.88 H new ATOM 0 HB2 LYS A 83 10.035 9.021 -11.312 1.00 1.03 H new ATOM 0 HB3 LYS A 83 10.967 7.556 -11.073 1.00 1.03 H new ATOM 0 HG2 LYS A 83 9.479 6.321 -12.642 1.00 1.71 H new ATOM 0 HG3 LYS A 83 8.479 7.746 -12.843 1.00 1.71 H new ATOM 0 HD2 LYS A 83 11.444 7.921 -13.444 1.00 1.90 H new ATOM 0 HD3 LYS A 83 10.374 7.180 -14.618 1.00 1.90 H new ATOM 0 HE2 LYS A 83 9.747 9.916 -13.445 1.00 1.93 H new ATOM 0 HE3 LYS A 83 10.846 9.751 -14.800 1.00 1.93 H new ATOM 0 HZ1 LYS A 83 8.364 10.145 -15.232 1.00 2.46 H new ATOM 0 HZ2 LYS A 83 9.185 9.001 -16.180 1.00 2.46 H new ATOM 0 HZ3 LYS A 83 8.187 8.488 -14.906 1.00 2.46 H new ATOM 1327 N PRO A 84 10.134 7.030 -8.018 1.00 0.72 N ATOM 1328 CA PRO A 84 10.270 7.099 -6.566 1.00 0.64 C ATOM 1329 C PRO A 84 10.765 8.441 -6.029 1.00 0.58 C ATOM 1330 O PRO A 84 10.474 8.795 -4.892 1.00 0.54 O ATOM 1331 CB PRO A 84 11.210 5.954 -6.171 1.00 0.76 C ATOM 1332 CG PRO A 84 11.895 5.564 -7.481 1.00 0.87 C ATOM 1333 CD PRO A 84 10.805 5.842 -8.513 1.00 0.85 C ATOM 0 HA PRO A 84 9.283 7.000 -6.115 1.00 0.64 H new ATOM 0 HB2 PRO A 84 11.935 6.274 -5.422 1.00 0.76 H new ATOM 0 HB3 PRO A 84 10.659 5.116 -5.744 1.00 0.76 H new ATOM 0 HG2 PRO A 84 12.790 6.158 -7.665 1.00 0.87 H new ATOM 0 HG3 PRO A 84 12.201 4.518 -7.484 1.00 0.87 H new ATOM 0 HD2 PRO A 84 11.229 6.008 -9.503 1.00 0.85 H new ATOM 0 HD3 PRO A 84 10.115 5.002 -8.598 1.00 0.85 H new ATOM 1341 N LYS A 85 11.512 9.203 -6.827 1.00 0.63 N ATOM 1342 CA LYS A 85 11.939 10.543 -6.496 1.00 0.62 C ATOM 1343 C LYS A 85 10.760 11.466 -6.164 1.00 0.56 C ATOM 1344 O LYS A 85 10.834 12.264 -5.231 1.00 0.55 O ATOM 1345 CB LYS A 85 12.776 11.043 -7.659 1.00 0.76 C ATOM 1346 CG LYS A 85 14.188 10.459 -7.629 1.00 1.39 C ATOM 1347 CD LYS A 85 14.986 10.689 -8.919 1.00 1.71 C ATOM 1348 CE LYS A 85 15.340 12.170 -9.126 1.00 2.56 C ATOM 1349 NZ LYS A 85 16.261 12.366 -10.267 1.00 3.59 N ATOM 0 H LYS A 85 11.840 8.889 -7.741 1.00 0.63 H new ATOM 0 HA LYS A 85 12.538 10.539 -5.586 1.00 0.62 H new ATOM 0 HB2 LYS A 85 12.291 10.776 -8.598 1.00 0.76 H new ATOM 0 HB3 LYS A 85 12.831 12.131 -7.627 1.00 0.76 H new ATOM 0 HG2 LYS A 85 14.734 10.897 -6.793 1.00 1.39 H new ATOM 0 HG3 LYS A 85 14.123 9.387 -7.440 1.00 1.39 H new ATOM 0 HD2 LYS A 85 15.902 10.099 -8.888 1.00 1.71 H new ATOM 0 HD3 LYS A 85 14.407 10.333 -9.771 1.00 1.71 H new ATOM 0 HE2 LYS A 85 14.427 12.741 -9.295 1.00 2.56 H new ATOM 0 HE3 LYS A 85 15.798 12.563 -8.219 1.00 2.56 H new ATOM 0 HZ1 LYS A 85 16.474 13.379 -10.371 1.00 3.59 H new ATOM 0 HZ2 LYS A 85 17.143 11.843 -10.095 1.00 3.59 H new ATOM 0 HZ3 LYS A 85 15.814 12.015 -11.138 1.00 3.59 H new ATOM 1363 N GLN A 86 9.675 11.360 -6.930 1.00 0.58 N ATOM 1364 CA GLN A 86 8.480 12.163 -6.739 1.00 0.61 C ATOM 1365 C GLN A 86 7.775 11.724 -5.450 1.00 0.53 C ATOM 1366 O GLN A 86 7.399 12.572 -4.636 1.00 0.59 O ATOM 1367 CB GLN A 86 7.609 12.070 -7.991 1.00 0.78 C ATOM 1368 CG GLN A 86 8.295 12.650 -9.241 1.00 1.53 C ATOM 1369 CD GLN A 86 8.334 14.175 -9.245 1.00 2.04 C ATOM 1370 OE1 GLN A 86 9.354 14.803 -8.952 1.00 3.06 O ATOM 1371 NE2 GLN A 86 7.220 14.799 -9.603 1.00 2.25 N ATOM 0 H GLN A 86 9.606 10.705 -7.709 1.00 0.58 H new ATOM 0 HA GLN A 86 8.723 13.218 -6.610 1.00 0.61 H new ATOM 0 HB2 GLN A 86 7.354 11.026 -8.174 1.00 0.78 H new ATOM 0 HB3 GLN A 86 6.673 12.601 -7.817 1.00 0.78 H new ATOM 0 HG2 GLN A 86 9.313 12.266 -9.301 1.00 1.53 H new ATOM 0 HG3 GLN A 86 7.770 12.303 -10.131 1.00 1.53 H new ATOM 0 HE21 GLN A 86 6.388 14.260 -9.841 1.00 2.25 H new ATOM 0 HE22 GLN A 86 7.196 15.818 -9.640 1.00 2.25 H new ATOM 1380 N LEU A 87 7.671 10.408 -5.214 1.00 0.47 N ATOM 1381 CA LEU A 87 7.245 9.907 -3.910 1.00 0.47 C ATOM 1382 C LEU A 87 8.127 10.504 -2.807 1.00 0.50 C ATOM 1383 O LEU A 87 7.612 10.973 -1.797 1.00 0.57 O ATOM 1384 CB LEU A 87 7.214 8.369 -3.828 1.00 0.47 C ATOM 1385 CG LEU A 87 6.019 7.711 -4.545 1.00 0.54 C ATOM 1386 CD1 LEU A 87 6.272 6.207 -4.662 1.00 1.95 C ATOM 1387 CD2 LEU A 87 4.676 7.890 -3.817 1.00 1.71 C ATOM 0 H LEU A 87 7.874 9.684 -5.903 1.00 0.47 H new ATOM 0 HA LEU A 87 6.215 10.231 -3.764 1.00 0.47 H new ATOM 0 HB2 LEU A 87 8.137 7.977 -4.255 1.00 0.47 H new ATOM 0 HB3 LEU A 87 7.198 8.075 -2.779 1.00 0.47 H new ATOM 0 HG LEU A 87 5.943 8.205 -5.514 1.00 0.54 H new ATOM 0 HD11 LEU A 87 5.430 5.735 -5.168 1.00 1.95 H new ATOM 0 HD12 LEU A 87 7.183 6.035 -5.235 1.00 1.95 H new ATOM 0 HD13 LEU A 87 6.383 5.778 -3.666 1.00 1.95 H new ATOM 0 HD21 LEU A 87 3.886 7.399 -4.385 1.00 1.71 H new ATOM 0 HD22 LEU A 87 4.739 7.446 -2.824 1.00 1.71 H new ATOM 0 HD23 LEU A 87 4.450 8.952 -3.726 1.00 1.71 H new ATOM 1399 N LYS A 88 9.450 10.526 -2.989 1.00 0.52 N ATOM 1400 CA LYS A 88 10.362 11.049 -1.980 1.00 0.60 C ATOM 1401 C LYS A 88 10.125 12.541 -1.719 1.00 0.65 C ATOM 1402 O LYS A 88 10.091 12.961 -0.565 1.00 0.73 O ATOM 1403 CB LYS A 88 11.831 10.734 -2.314 1.00 0.65 C ATOM 1404 CG LYS A 88 12.537 10.186 -1.065 1.00 0.72 C ATOM 1405 CD LYS A 88 14.041 9.978 -1.304 1.00 0.98 C ATOM 1406 CE LYS A 88 14.544 8.643 -0.733 1.00 1.10 C ATOM 1407 NZ LYS A 88 14.337 8.496 0.725 1.00 1.66 N ATOM 0 H LYS A 88 9.911 10.185 -3.832 1.00 0.52 H new ATOM 0 HA LYS A 88 10.142 10.532 -1.046 1.00 0.60 H new ATOM 0 HB2 LYS A 88 11.882 10.005 -3.123 1.00 0.65 H new ATOM 0 HB3 LYS A 88 12.336 11.634 -2.664 1.00 0.65 H new ATOM 0 HG2 LYS A 88 12.393 10.876 -0.234 1.00 0.72 H new ATOM 0 HG3 LYS A 88 12.081 9.239 -0.776 1.00 0.72 H new ATOM 0 HD2 LYS A 88 14.245 10.012 -2.374 1.00 0.98 H new ATOM 0 HD3 LYS A 88 14.596 10.798 -0.848 1.00 0.98 H new ATOM 0 HE2 LYS A 88 14.037 7.826 -1.246 1.00 1.10 H new ATOM 0 HE3 LYS A 88 15.608 8.544 -0.950 1.00 1.10 H new ATOM 0 HZ1 LYS A 88 14.525 7.512 1.005 1.00 1.66 H new ATOM 0 HZ2 LYS A 88 14.985 9.131 1.233 1.00 1.66 H new ATOM 0 HZ3 LYS A 88 13.355 8.741 0.963 1.00 1.66 H new ATOM 1421 N LYS A 89 9.936 13.353 -2.765 1.00 0.64 N ATOM 1422 CA LYS A 89 9.541 14.749 -2.580 1.00 0.71 C ATOM 1423 C LYS A 89 8.268 14.826 -1.734 1.00 0.67 C ATOM 1424 O LYS A 89 8.213 15.530 -0.732 1.00 0.74 O ATOM 1425 CB LYS A 89 9.287 15.437 -3.921 1.00 0.78 C ATOM 1426 CG LYS A 89 10.564 15.676 -4.727 1.00 1.32 C ATOM 1427 CD LYS A 89 10.142 16.351 -6.034 1.00 1.58 C ATOM 1428 CE LYS A 89 11.322 16.558 -6.988 1.00 2.51 C ATOM 1429 NZ LYS A 89 10.854 16.964 -8.327 1.00 3.41 N ATOM 0 H LYS A 89 10.049 13.069 -3.738 1.00 0.64 H new ATOM 0 HA LYS A 89 10.360 15.260 -2.073 1.00 0.71 H new ATOM 0 HB2 LYS A 89 8.602 14.828 -4.510 1.00 0.78 H new ATOM 0 HB3 LYS A 89 8.793 16.392 -3.744 1.00 0.78 H new ATOM 0 HG2 LYS A 89 11.259 16.307 -4.173 1.00 1.32 H new ATOM 0 HG3 LYS A 89 11.077 14.735 -4.926 1.00 1.32 H new ATOM 0 HD2 LYS A 89 9.382 15.743 -6.526 1.00 1.58 H new ATOM 0 HD3 LYS A 89 9.684 17.315 -5.811 1.00 1.58 H new ATOM 0 HE2 LYS A 89 11.990 17.320 -6.586 1.00 2.51 H new ATOM 0 HE3 LYS A 89 11.899 15.636 -7.064 1.00 2.51 H new ATOM 0 HZ1 LYS A 89 11.654 17.340 -8.875 1.00 3.41 H new ATOM 0 HZ2 LYS A 89 10.454 16.140 -8.820 1.00 3.41 H new ATOM 0 HZ3 LYS A 89 10.124 17.698 -8.232 1.00 3.41 H new ATOM 1443 N PHE A 90 7.240 14.081 -2.132 1.00 0.61 N ATOM 1444 CA PHE A 90 5.969 14.054 -1.423 1.00 0.61 C ATOM 1445 C PHE A 90 6.180 13.628 0.035 1.00 0.62 C ATOM 1446 O PHE A 90 5.589 14.193 0.953 1.00 0.67 O ATOM 1447 CB PHE A 90 5.029 13.142 -2.210 1.00 0.62 C ATOM 1448 CG PHE A 90 3.697 12.823 -1.569 1.00 0.63 C ATOM 1449 CD1 PHE A 90 3.577 11.643 -0.814 1.00 1.64 C ATOM 1450 CD2 PHE A 90 2.540 13.519 -1.968 1.00 1.79 C ATOM 1451 CE1 PHE A 90 2.307 11.124 -0.520 1.00 1.81 C ATOM 1452 CE2 PHE A 90 1.270 12.971 -1.713 1.00 1.83 C ATOM 1453 CZ PHE A 90 1.153 11.777 -0.981 1.00 1.06 C ATOM 0 H PHE A 90 7.267 13.480 -2.956 1.00 0.61 H new ATOM 0 HA PHE A 90 5.512 15.042 -1.364 1.00 0.61 H new ATOM 0 HB2 PHE A 90 4.838 13.604 -3.178 1.00 0.62 H new ATOM 0 HB3 PHE A 90 5.548 12.203 -2.402 1.00 0.62 H new ATOM 0 HD1 PHE A 90 4.463 11.136 -0.460 1.00 1.64 H new ATOM 0 HD2 PHE A 90 2.628 14.472 -2.469 1.00 1.79 H new ATOM 0 HE1 PHE A 90 2.217 10.219 0.063 1.00 1.81 H new ATOM 0 HE2 PHE A 90 0.384 13.468 -2.080 1.00 1.83 H new ATOM 0 HZ PHE A 90 0.177 11.363 -0.774 1.00 1.06 H new ATOM 1463 N ALA A 91 7.086 12.679 0.257 1.00 0.65 N ATOM 1464 CA ALA A 91 7.456 12.173 1.567 1.00 0.76 C ATOM 1465 C ALA A 91 8.242 13.196 2.383 1.00 0.84 C ATOM 1466 O ALA A 91 8.312 13.097 3.603 1.00 1.05 O ATOM 1467 CB ALA A 91 8.303 10.921 1.386 1.00 0.76 C ATOM 0 H ALA A 91 7.599 12.228 -0.501 1.00 0.65 H new ATOM 0 HA ALA A 91 6.539 11.953 2.113 1.00 0.76 H new ATOM 0 HB1 ALA A 91 8.588 10.530 2.363 1.00 0.76 H new ATOM 0 HB2 ALA A 91 7.728 10.168 0.847 1.00 0.76 H new ATOM 0 HB3 ALA A 91 9.200 11.168 0.818 1.00 0.76 H new ATOM 1473 N ALA A 92 8.868 14.168 1.721 1.00 0.86 N ATOM 1474 CA ALA A 92 9.440 15.312 2.405 1.00 0.95 C ATOM 1475 C ALA A 92 8.331 16.226 2.939 1.00 0.85 C ATOM 1476 O ALA A 92 8.570 16.992 3.868 1.00 0.95 O ATOM 1477 CB ALA A 92 10.381 16.052 1.452 1.00 1.09 C ATOM 0 H ALA A 92 8.989 14.180 0.708 1.00 0.86 H new ATOM 0 HA ALA A 92 10.020 14.976 3.265 1.00 0.95 H new ATOM 0 HB1 ALA A 92 10.813 16.913 1.963 1.00 1.09 H new ATOM 0 HB2 ALA A 92 11.179 15.381 1.134 1.00 1.09 H new ATOM 0 HB3 ALA A 92 9.823 16.391 0.579 1.00 1.09 H new ATOM 1483 N ASN A 93 7.129 16.158 2.349 1.00 0.71 N ATOM 1484 CA ASN A 93 6.010 17.029 2.701 1.00 0.74 C ATOM 1485 C ASN A 93 5.134 16.343 3.747 1.00 0.74 C ATOM 1486 O ASN A 93 4.962 16.856 4.850 1.00 0.73 O ATOM 1487 CB ASN A 93 5.194 17.411 1.456 1.00 0.79 C ATOM 1488 CG ASN A 93 6.033 18.087 0.374 1.00 0.83 C ATOM 1489 OD1 ASN A 93 7.006 18.778 0.657 1.00 1.47 O ATOM 1490 ND2 ASN A 93 5.658 17.904 -0.889 1.00 1.83 N ATOM 0 H ASN A 93 6.909 15.491 1.609 1.00 0.71 H new ATOM 0 HA ASN A 93 6.403 17.953 3.125 1.00 0.74 H new ATOM 0 HB2 ASN A 93 4.732 16.514 1.042 1.00 0.79 H new ATOM 0 HB3 ASN A 93 4.385 18.079 1.750 1.00 0.79 H new ATOM 0 HD21 ASN A 93 6.183 18.343 -1.646 1.00 1.83 H new ATOM 0 HD22 ASN A 93 4.845 17.325 -1.101 1.00 1.83 H new ATOM 1497 N TYR A 94 4.579 15.175 3.413 1.00 0.84 N ATOM 1498 CA TYR A 94 3.907 14.325 4.389 1.00 0.90 C ATOM 1499 C TYR A 94 4.962 13.844 5.392 1.00 0.93 C ATOM 1500 O TYR A 94 5.904 13.185 4.961 1.00 1.04 O ATOM 1501 CB TYR A 94 3.245 13.142 3.678 1.00 1.04 C ATOM 1502 CG TYR A 94 1.864 13.468 3.142 1.00 1.07 C ATOM 1503 CD1 TYR A 94 0.764 13.523 4.018 1.00 1.48 C ATOM 1504 CD2 TYR A 94 1.694 13.806 1.790 1.00 2.60 C ATOM 1505 CE1 TYR A 94 -0.517 13.860 3.534 1.00 1.42 C ATOM 1506 CE2 TYR A 94 0.429 14.204 1.323 1.00 2.70 C ATOM 1507 CZ TYR A 94 -0.679 14.224 2.185 1.00 1.24 C ATOM 1508 OH TYR A 94 -1.899 14.577 1.679 1.00 1.40 O ATOM 0 H TYR A 94 4.584 14.798 2.465 1.00 0.84 H new ATOM 0 HA TYR A 94 3.125 14.875 4.912 1.00 0.90 H new ATOM 0 HB2 TYR A 94 3.881 12.819 2.854 1.00 1.04 H new ATOM 0 HB3 TYR A 94 3.171 12.304 4.371 1.00 1.04 H new ATOM 0 HD1 TYR A 94 0.902 13.306 5.067 1.00 1.48 H new ATOM 0 HD2 TYR A 94 2.532 13.760 1.111 1.00 2.60 H new ATOM 0 HE1 TYR A 94 -1.370 13.839 4.196 1.00 1.42 H new ATOM 0 HE2 TYR A 94 0.308 14.497 0.291 1.00 2.70 H new ATOM 0 HH TYR A 94 -2.604 14.303 2.303 1.00 1.40 H new ATOM 1518 N PRO A 95 4.860 14.167 6.693 1.00 0.92 N ATOM 1519 CA PRO A 95 5.945 13.983 7.651 1.00 0.98 C ATOM 1520 C PRO A 95 6.112 12.507 8.033 1.00 0.95 C ATOM 1521 O PRO A 95 5.795 12.097 9.148 1.00 1.04 O ATOM 1522 CB PRO A 95 5.574 14.874 8.842 1.00 1.04 C ATOM 1523 CG PRO A 95 4.046 14.855 8.818 1.00 1.00 C ATOM 1524 CD PRO A 95 3.740 14.853 7.320 1.00 0.93 C ATOM 0 HA PRO A 95 6.915 14.265 7.242 1.00 0.98 H new ATOM 0 HB2 PRO A 95 5.968 14.481 9.779 1.00 1.04 H new ATOM 0 HB3 PRO A 95 5.968 15.884 8.729 1.00 1.04 H new ATOM 0 HG2 PRO A 95 3.643 13.973 9.316 1.00 1.00 H new ATOM 0 HG3 PRO A 95 3.621 15.725 9.318 1.00 1.00 H new ATOM 0 HD2 PRO A 95 2.801 14.341 7.112 1.00 0.93 H new ATOM 0 HD3 PRO A 95 3.640 15.869 6.939 1.00 0.93 H new ATOM 1532 N LEU A 96 6.610 11.705 7.092 1.00 0.98 N ATOM 1533 CA LEU A 96 6.807 10.274 7.241 1.00 0.99 C ATOM 1534 C LEU A 96 8.266 9.947 7.544 1.00 0.92 C ATOM 1535 O LEU A 96 9.080 10.845 7.757 1.00 0.83 O ATOM 1536 CB LEU A 96 6.252 9.576 5.993 1.00 1.02 C ATOM 1537 CG LEU A 96 7.000 9.730 4.666 1.00 0.93 C ATOM 1538 CD1 LEU A 96 8.182 8.759 4.527 1.00 0.85 C ATOM 1539 CD2 LEU A 96 5.980 9.422 3.567 1.00 1.04 C ATOM 0 H LEU A 96 6.895 12.051 6.176 1.00 0.98 H new ATOM 0 HA LEU A 96 6.256 9.895 8.102 1.00 0.99 H new ATOM 0 HB2 LEU A 96 6.187 8.510 6.213 1.00 1.02 H new ATOM 0 HB3 LEU A 96 5.234 9.933 5.841 1.00 1.02 H new ATOM 0 HG LEU A 96 7.415 10.736 4.603 1.00 0.93 H new ATOM 0 HD11 LEU A 96 8.672 8.917 3.566 1.00 0.85 H new ATOM 0 HD12 LEU A 96 8.896 8.937 5.331 1.00 0.85 H new ATOM 0 HD13 LEU A 96 7.819 7.733 4.585 1.00 0.85 H new ATOM 0 HD21 LEU A 96 6.457 9.516 2.591 1.00 1.04 H new ATOM 0 HD22 LEU A 96 5.606 8.406 3.692 1.00 1.04 H new ATOM 0 HD23 LEU A 96 5.150 10.125 3.634 1.00 1.04 H new ATOM 1551 N SER A 97 8.608 8.657 7.556 1.00 1.12 N ATOM 1552 CA SER A 97 10.004 8.240 7.584 1.00 1.11 C ATOM 1553 C SER A 97 10.195 6.994 6.733 1.00 1.03 C ATOM 1554 O SER A 97 9.248 6.262 6.461 1.00 1.39 O ATOM 1555 CB SER A 97 10.493 7.997 9.014 1.00 1.22 C ATOM 1556 OG SER A 97 11.878 7.681 8.992 1.00 2.03 O ATOM 0 H SER A 97 7.937 7.889 7.547 1.00 1.12 H new ATOM 0 HA SER A 97 10.604 9.049 7.168 1.00 1.11 H new ATOM 0 HB2 SER A 97 10.321 8.883 9.625 1.00 1.22 H new ATOM 0 HB3 SER A 97 9.930 7.182 9.469 1.00 1.22 H new ATOM 0 HG SER A 97 12.193 7.527 9.907 1.00 2.03 H new ATOM 1562 N PHE A 98 11.445 6.773 6.336 1.00 0.70 N ATOM 1563 CA PHE A 98 11.901 5.562 5.679 1.00 0.63 C ATOM 1564 C PHE A 98 12.263 4.492 6.714 1.00 0.49 C ATOM 1565 O PHE A 98 12.221 3.307 6.385 1.00 0.51 O ATOM 1566 CB PHE A 98 13.084 5.907 4.772 1.00 0.66 C ATOM 1567 CG PHE A 98 12.707 6.885 3.668 1.00 0.75 C ATOM 1568 CD1 PHE A 98 11.883 6.445 2.615 1.00 2.19 C ATOM 1569 CD2 PHE A 98 12.901 8.268 3.865 1.00 1.57 C ATOM 1570 CE1 PHE A 98 11.197 7.376 1.816 1.00 2.31 C ATOM 1571 CE2 PHE A 98 12.204 9.199 3.074 1.00 1.48 C ATOM 1572 CZ PHE A 98 11.337 8.753 2.064 1.00 0.92 C ATOM 0 H PHE A 98 12.189 7.458 6.469 1.00 0.70 H new ATOM 0 HA PHE A 98 11.103 5.147 5.064 1.00 0.63 H new ATOM 0 HB2 PHE A 98 13.886 6.335 5.374 1.00 0.66 H new ATOM 0 HB3 PHE A 98 13.474 4.992 4.325 1.00 0.66 H new ATOM 0 HD1 PHE A 98 11.777 5.388 2.420 1.00 2.19 H new ATOM 0 HD2 PHE A 98 13.586 8.613 4.625 1.00 1.57 H new ATOM 0 HE1 PHE A 98 10.563 7.034 1.012 1.00 2.31 H new ATOM 0 HE2 PHE A 98 12.336 10.257 3.244 1.00 1.48 H new ATOM 0 HZ PHE A 98 10.778 9.467 1.478 1.00 0.92 H new ATOM 1582 N ASP A 99 12.608 4.937 7.936 1.00 0.47 N ATOM 1583 CA ASP A 99 12.966 4.165 9.132 1.00 0.50 C ATOM 1584 C ASP A 99 12.597 2.684 9.024 1.00 0.44 C ATOM 1585 O ASP A 99 13.470 1.821 9.040 1.00 0.53 O ATOM 1586 CB ASP A 99 12.336 4.836 10.369 1.00 0.69 C ATOM 1587 CG ASP A 99 12.017 3.865 11.499 1.00 1.17 C ATOM 1588 OD1 ASP A 99 12.922 3.469 12.265 1.00 2.05 O ATOM 1589 OD2 ASP A 99 10.837 3.467 11.605 1.00 2.38 O ATOM 0 H ASP A 99 12.646 5.939 8.125 1.00 0.47 H new ATOM 0 HA ASP A 99 14.051 4.173 9.233 1.00 0.50 H new ATOM 0 HB2 ASP A 99 13.016 5.602 10.742 1.00 0.69 H new ATOM 0 HB3 ASP A 99 11.419 5.343 10.068 1.00 0.69 H new ATOM 1594 N ASN A 100 11.301 2.399 8.912 1.00 0.39 N ATOM 1595 CA ASN A 100 10.804 1.042 8.765 1.00 0.37 C ATOM 1596 C ASN A 100 9.624 1.070 7.814 1.00 0.34 C ATOM 1597 O ASN A 100 8.504 0.713 8.177 1.00 0.47 O ATOM 1598 CB ASN A 100 10.472 0.519 10.152 1.00 0.49 C ATOM 1599 CG ASN A 100 10.268 -0.984 10.151 1.00 0.68 C ATOM 1600 OD1 ASN A 100 11.230 -1.742 10.216 1.00 1.50 O ATOM 1601 ND2 ASN A 100 9.022 -1.423 10.111 1.00 0.54 N ATOM 0 H ASN A 100 10.568 3.108 8.921 1.00 0.39 H new ATOM 0 HA ASN A 100 11.537 0.361 8.332 1.00 0.37 H new ATOM 0 HB2 ASN A 100 11.277 0.776 10.840 1.00 0.49 H new ATOM 0 HB3 ASN A 100 9.570 1.008 10.519 1.00 0.49 H new ATOM 0 HD21 ASN A 100 8.833 -2.425 10.134 1.00 0.54 H new ATOM 0 HD22 ASN A 100 8.249 -0.760 10.057 1.00 0.54 H new ATOM 1608 N TRP A 101 9.898 1.549 6.601 1.00 0.35 N ATOM 1609 CA TRP A 101 8.925 1.764 5.544 1.00 0.39 C ATOM 1610 C TRP A 101 9.544 1.388 4.193 1.00 0.52 C ATOM 1611 O TRP A 101 10.546 1.978 3.790 1.00 0.74 O ATOM 1612 CB TRP A 101 8.496 3.235 5.584 1.00 0.48 C ATOM 1613 CG TRP A 101 7.194 3.612 4.952 1.00 0.46 C ATOM 1614 CD1 TRP A 101 6.666 3.108 3.813 1.00 0.47 C ATOM 1615 CD2 TRP A 101 6.232 4.597 5.434 1.00 0.49 C ATOM 1616 NE1 TRP A 101 5.446 3.699 3.574 1.00 0.51 N ATOM 1617 CE2 TRP A 101 5.128 4.630 4.536 1.00 0.52 C ATOM 1618 CE3 TRP A 101 6.192 5.490 6.525 1.00 0.55 C ATOM 1619 CZ2 TRP A 101 4.046 5.505 4.705 1.00 0.60 C ATOM 1620 CZ3 TRP A 101 5.114 6.368 6.708 1.00 0.60 C ATOM 1621 CH2 TRP A 101 4.052 6.390 5.795 1.00 0.63 C ATOM 0 H TRP A 101 10.845 1.807 6.322 1.00 0.35 H new ATOM 0 HA TRP A 101 8.045 1.136 5.685 1.00 0.39 H new ATOM 0 HB2 TRP A 101 8.459 3.542 6.629 1.00 0.48 H new ATOM 0 HB3 TRP A 101 9.280 3.823 5.106 1.00 0.48 H new ATOM 0 HD1 TRP A 101 7.129 2.359 3.188 1.00 0.47 H new ATOM 0 HE1 TRP A 101 4.849 3.474 2.778 1.00 0.51 H new ATOM 0 HE3 TRP A 101 7.007 5.498 7.233 1.00 0.55 H new ATOM 0 HZ2 TRP A 101 3.221 5.499 4.008 1.00 0.60 H new ATOM 0 HZ3 TRP A 101 5.103 7.032 7.559 1.00 0.60 H new ATOM 0 HH2 TRP A 101 3.238 7.087 5.929 1.00 0.63 H new ATOM 1632 N ASP A 102 8.936 0.433 3.480 1.00 0.44 N ATOM 1633 CA ASP A 102 9.396 -0.017 2.167 1.00 0.54 C ATOM 1634 C ASP A 102 8.558 0.726 1.112 1.00 0.40 C ATOM 1635 O ASP A 102 7.469 0.292 0.735 1.00 0.42 O ATOM 1636 CB ASP A 102 9.263 -1.554 2.047 1.00 0.69 C ATOM 1637 CG ASP A 102 10.534 -2.358 2.339 1.00 0.99 C ATOM 1638 OD1 ASP A 102 11.557 -2.034 1.701 1.00 1.52 O ATOM 1639 OD2 ASP A 102 10.462 -3.331 3.133 1.00 2.02 O ATOM 0 H ASP A 102 8.100 -0.053 3.805 1.00 0.44 H new ATOM 0 HA ASP A 102 10.452 0.209 2.017 1.00 0.54 H new ATOM 0 HB2 ASP A 102 8.481 -1.886 2.729 1.00 0.69 H new ATOM 0 HB3 ASP A 102 8.928 -1.793 1.038 1.00 0.69 H new ATOM 1644 N PHE A 103 9.049 1.878 0.645 1.00 0.45 N ATOM 1645 CA PHE A 103 8.421 2.647 -0.423 1.00 0.47 C ATOM 1646 C PHE A 103 8.786 2.014 -1.761 1.00 0.42 C ATOM 1647 O PHE A 103 9.822 2.337 -2.344 1.00 0.54 O ATOM 1648 CB PHE A 103 8.847 4.121 -0.366 1.00 0.70 C ATOM 1649 CG PHE A 103 7.842 4.999 0.340 1.00 0.47 C ATOM 1650 CD1 PHE A 103 6.643 5.333 -0.318 1.00 1.87 C ATOM 1651 CD2 PHE A 103 8.042 5.385 1.676 1.00 1.84 C ATOM 1652 CE1 PHE A 103 5.645 6.048 0.361 1.00 2.12 C ATOM 1653 CE2 PHE A 103 7.056 6.133 2.339 1.00 1.65 C ATOM 1654 CZ PHE A 103 5.848 6.441 1.692 1.00 0.76 C ATOM 0 H PHE A 103 9.903 2.304 1.005 1.00 0.45 H new ATOM 0 HA PHE A 103 7.338 2.627 -0.299 1.00 0.47 H new ATOM 0 HB2 PHE A 103 9.808 4.196 0.143 1.00 0.70 H new ATOM 0 HB3 PHE A 103 8.994 4.490 -1.381 1.00 0.70 H new ATOM 0 HD1 PHE A 103 6.491 5.039 -1.346 1.00 1.87 H new ATOM 0 HD2 PHE A 103 8.950 5.108 2.191 1.00 1.84 H new ATOM 0 HE1 PHE A 103 4.721 6.296 -0.141 1.00 2.12 H new ATOM 0 HE2 PHE A 103 7.227 6.473 3.350 1.00 1.65 H new ATOM 0 HZ PHE A 103 5.075 6.981 2.219 1.00 0.76 H new ATOM 1664 N LEU A 104 7.937 1.105 -2.238 1.00 0.43 N ATOM 1665 CA LEU A 104 8.193 0.311 -3.422 1.00 0.40 C ATOM 1666 C LEU A 104 7.864 1.065 -4.705 1.00 0.47 C ATOM 1667 O LEU A 104 6.852 1.756 -4.818 1.00 0.57 O ATOM 1668 CB LEU A 104 7.447 -1.023 -3.351 1.00 0.41 C ATOM 1669 CG LEU A 104 7.996 -1.946 -2.254 1.00 0.47 C ATOM 1670 CD1 LEU A 104 7.201 -3.250 -2.258 1.00 0.40 C ATOM 1671 CD2 LEU A 104 9.456 -2.312 -2.484 1.00 0.98 C ATOM 0 H LEU A 104 7.039 0.902 -1.800 1.00 0.43 H new ATOM 0 HA LEU A 104 9.263 0.103 -3.449 1.00 0.40 H new ATOM 0 HB2 LEU A 104 6.389 -0.835 -3.167 1.00 0.41 H new ATOM 0 HB3 LEU A 104 7.518 -1.527 -4.315 1.00 0.41 H new ATOM 0 HG LEU A 104 7.908 -1.410 -1.309 1.00 0.47 H new ATOM 0 HD11 LEU A 104 7.584 -3.912 -1.482 1.00 0.40 H new ATOM 0 HD12 LEU A 104 6.150 -3.036 -2.066 1.00 0.40 H new ATOM 0 HD13 LEU A 104 7.301 -3.734 -3.229 1.00 0.40 H new ATOM 0 HD21 LEU A 104 9.798 -2.966 -1.682 1.00 0.98 H new ATOM 0 HD22 LEU A 104 9.556 -2.827 -3.439 1.00 0.98 H new ATOM 0 HD23 LEU A 104 10.061 -1.405 -2.496 1.00 0.98 H new ATOM 1683 N THR A 105 8.731 0.880 -5.696 1.00 0.48 N ATOM 1684 CA THR A 105 8.525 1.358 -7.045 1.00 0.51 C ATOM 1685 C THR A 105 7.195 0.829 -7.591 1.00 0.72 C ATOM 1686 O THR A 105 6.291 1.602 -7.887 1.00 1.07 O ATOM 1687 CB THR A 105 9.702 0.895 -7.913 1.00 0.46 C ATOM 1688 OG1 THR A 105 9.964 -0.477 -7.671 1.00 0.63 O ATOM 1689 CG2 THR A 105 10.966 1.703 -7.616 1.00 0.67 C ATOM 0 H THR A 105 9.613 0.382 -5.573 1.00 0.48 H new ATOM 0 HA THR A 105 8.479 2.447 -7.057 1.00 0.51 H new ATOM 0 HB THR A 105 9.428 1.049 -8.957 1.00 0.46 H new ATOM 0 HG1 THR A 105 10.496 -0.569 -6.853 1.00 0.63 H new ATOM 0 HG21 THR A 105 11.781 1.349 -8.248 1.00 0.67 H new ATOM 0 HG22 THR A 105 10.780 2.757 -7.820 1.00 0.67 H new ATOM 0 HG23 THR A 105 11.239 1.579 -6.568 1.00 0.67 H new ATOM 1697 N GLY A 106 7.101 -0.492 -7.766 1.00 0.89 N ATOM 1698 CA GLY A 106 5.949 -1.154 -8.376 1.00 1.30 C ATOM 1699 C GLY A 106 6.163 -1.381 -9.875 1.00 1.17 C ATOM 1700 O GLY A 106 5.595 -2.306 -10.446 1.00 1.40 O ATOM 0 H GLY A 106 7.836 -1.140 -7.483 1.00 0.89 H new ATOM 0 HA2 GLY A 106 5.774 -2.110 -7.883 1.00 1.30 H new ATOM 0 HA3 GLY A 106 5.056 -0.548 -8.222 1.00 1.30 H new ATOM 1704 N TYR A 107 7.002 -0.539 -10.490 1.00 1.02 N ATOM 1705 CA TYR A 107 7.491 -0.667 -11.853 1.00 1.00 C ATOM 1706 C TYR A 107 6.366 -0.552 -12.884 1.00 1.02 C ATOM 1707 O TYR A 107 5.220 -0.267 -12.543 1.00 1.44 O ATOM 1708 CB TYR A 107 8.346 -1.936 -11.986 1.00 1.44 C ATOM 1709 CG TYR A 107 9.330 -1.945 -13.141 1.00 1.72 C ATOM 1710 CD1 TYR A 107 10.349 -0.977 -13.206 1.00 1.94 C ATOM 1711 CD2 TYR A 107 9.213 -2.905 -14.165 1.00 2.99 C ATOM 1712 CE1 TYR A 107 11.210 -0.932 -14.315 1.00 2.19 C ATOM 1713 CE2 TYR A 107 10.076 -2.861 -15.273 1.00 3.46 C ATOM 1714 CZ TYR A 107 11.068 -1.868 -15.352 1.00 2.64 C ATOM 1715 OH TYR A 107 11.913 -1.824 -16.421 1.00 3.17 O ATOM 0 H TYR A 107 7.372 0.288 -10.021 1.00 1.02 H new ATOM 0 HA TYR A 107 8.145 0.175 -12.078 1.00 1.00 H new ATOM 0 HB2 TYR A 107 8.901 -2.078 -11.058 1.00 1.44 H new ATOM 0 HB3 TYR A 107 7.680 -2.792 -12.093 1.00 1.44 H new ATOM 0 HD1 TYR A 107 10.470 -0.267 -12.401 1.00 1.94 H new ATOM 0 HD2 TYR A 107 8.459 -3.676 -14.098 1.00 2.99 H new ATOM 0 HE1 TYR A 107 11.981 -0.178 -14.370 1.00 2.19 H new ATOM 0 HE2 TYR A 107 9.977 -3.590 -16.064 1.00 3.46 H new ATOM 0 HH TYR A 107 11.683 -2.540 -17.050 1.00 3.17 H new ATOM 1725 N SER A 108 6.721 -0.670 -14.164 1.00 0.87 N ATOM 1726 CA SER A 108 5.880 -0.281 -15.278 1.00 0.91 C ATOM 1727 C SER A 108 4.515 -0.958 -15.222 1.00 0.80 C ATOM 1728 O SER A 108 4.416 -2.042 -14.646 1.00 0.83 O ATOM 1729 CB SER A 108 6.614 -0.638 -16.569 1.00 1.23 C ATOM 1730 OG SER A 108 7.993 -0.336 -16.424 1.00 2.04 O ATOM 0 H SER A 108 7.623 -1.048 -14.453 1.00 0.87 H new ATOM 0 HA SER A 108 5.692 0.792 -15.233 1.00 0.91 H new ATOM 0 HB2 SER A 108 6.484 -1.697 -16.794 1.00 1.23 H new ATOM 0 HB3 SER A 108 6.194 -0.080 -17.406 1.00 1.23 H new ATOM 0 HG SER A 108 8.485 -1.153 -16.201 1.00 2.04 H new ATOM 1736 N GLN A 109 3.498 -0.335 -15.842 1.00 0.89 N ATOM 1737 CA GLN A 109 2.108 -0.773 -15.853 1.00 0.94 C ATOM 1738 C GLN A 109 2.016 -2.298 -15.821 1.00 0.82 C ATOM 1739 O GLN A 109 1.398 -2.841 -14.924 1.00 0.86 O ATOM 1740 CB GLN A 109 1.294 -0.185 -17.017 1.00 1.32 C ATOM 1741 CG GLN A 109 1.334 1.335 -17.235 1.00 1.88 C ATOM 1742 CD GLN A 109 1.276 2.161 -15.951 1.00 1.98 C ATOM 1743 OE1 GLN A 109 0.208 2.380 -15.394 1.00 2.46 O ATOM 1744 NE2 GLN A 109 2.414 2.658 -15.488 1.00 2.45 N ATOM 0 H GLN A 109 3.638 0.526 -16.371 1.00 0.89 H new ATOM 0 HA GLN A 109 1.654 -0.380 -14.944 1.00 0.94 H new ATOM 0 HB2 GLN A 109 1.634 -0.662 -17.936 1.00 1.32 H new ATOM 0 HB3 GLN A 109 0.253 -0.474 -16.875 1.00 1.32 H new ATOM 0 HG2 GLN A 109 2.247 1.588 -17.774 1.00 1.88 H new ATOM 0 HG3 GLN A 109 0.498 1.620 -17.873 1.00 1.88 H new ATOM 0 HE21 GLN A 109 3.291 2.461 -15.971 1.00 2.45 H new ATOM 0 HE22 GLN A 109 2.413 3.238 -14.649 1.00 2.45 H new ATOM 1753 N SER A 110 2.717 -2.998 -16.717 1.00 0.99 N ATOM 1754 CA SER A 110 2.801 -4.452 -16.744 1.00 1.24 C ATOM 1755 C SER A 110 2.914 -5.110 -15.355 1.00 1.32 C ATOM 1756 O SER A 110 2.110 -5.981 -15.019 1.00 1.58 O ATOM 1757 CB SER A 110 3.992 -4.831 -17.630 1.00 1.66 C ATOM 1758 OG SER A 110 4.004 -4.001 -18.779 1.00 1.70 O ATOM 0 H SER A 110 3.254 -2.553 -17.461 1.00 0.99 H new ATOM 0 HA SER A 110 1.864 -4.835 -17.148 1.00 1.24 H new ATOM 0 HB2 SER A 110 4.923 -4.717 -17.075 1.00 1.66 H new ATOM 0 HB3 SER A 110 3.922 -5.878 -17.924 1.00 1.66 H new ATOM 0 HG SER A 110 4.766 -4.240 -19.347 1.00 1.70 H new ATOM 1764 N GLU A 111 3.920 -4.724 -14.563 1.00 1.27 N ATOM 1765 CA GLU A 111 4.185 -5.281 -13.263 1.00 1.44 C ATOM 1766 C GLU A 111 3.065 -4.875 -12.306 1.00 1.38 C ATOM 1767 O GLU A 111 2.406 -5.730 -11.704 1.00 1.70 O ATOM 1768 CB GLU A 111 5.563 -4.778 -12.803 1.00 1.45 C ATOM 1769 CG GLU A 111 5.929 -5.516 -11.521 1.00 2.97 C ATOM 1770 CD GLU A 111 7.324 -5.200 -10.993 1.00 3.32 C ATOM 1771 OE1 GLU A 111 8.261 -5.257 -11.819 1.00 3.15 O ATOM 1772 OE2 GLU A 111 7.432 -4.931 -9.776 1.00 4.73 O ATOM 0 H GLU A 111 4.581 -3.995 -14.830 1.00 1.27 H new ATOM 0 HA GLU A 111 4.208 -6.370 -13.287 1.00 1.44 H new ATOM 0 HB2 GLU A 111 6.312 -4.959 -13.574 1.00 1.45 H new ATOM 0 HB3 GLU A 111 5.538 -3.702 -12.630 1.00 1.45 H new ATOM 0 HG2 GLU A 111 5.197 -5.269 -10.752 1.00 2.97 H new ATOM 0 HG3 GLU A 111 5.855 -6.589 -11.699 1.00 2.97 H new ATOM 1779 N ILE A 112 2.867 -3.561 -12.160 1.00 1.10 N ATOM 1780 CA ILE A 112 1.941 -3.030 -11.168 1.00 1.33 C ATOM 1781 C ILE A 112 0.521 -3.545 -11.420 1.00 1.37 C ATOM 1782 O ILE A 112 -0.155 -3.906 -10.466 1.00 1.52 O ATOM 1783 CB ILE A 112 2.061 -1.497 -11.032 1.00 1.41 C ATOM 1784 CG1 ILE A 112 1.112 -0.904 -9.978 1.00 2.09 C ATOM 1785 CG2 ILE A 112 1.816 -0.772 -12.356 1.00 1.27 C ATOM 1786 CD1 ILE A 112 1.433 -1.383 -8.563 1.00 1.68 C ATOM 0 H ILE A 112 3.338 -2.849 -12.719 1.00 1.10 H new ATOM 0 HA ILE A 112 2.219 -3.410 -10.185 1.00 1.33 H new ATOM 0 HB ILE A 112 3.090 -1.337 -10.709 1.00 1.41 H new ATOM 0 HG12 ILE A 112 1.172 0.184 -10.012 1.00 2.09 H new ATOM 0 HG13 ILE A 112 0.086 -1.175 -10.225 1.00 2.09 H new ATOM 0 HG21 ILE A 112 1.912 0.303 -12.205 1.00 1.27 H new ATOM 0 HG22 ILE A 112 2.549 -1.102 -13.093 1.00 1.27 H new ATOM 0 HG23 ILE A 112 0.812 -1.000 -12.715 1.00 1.27 H new ATOM 0 HD11 ILE A 112 0.733 -0.934 -7.859 1.00 1.68 H new ATOM 0 HD12 ILE A 112 1.346 -2.469 -8.518 1.00 1.68 H new ATOM 0 HD13 ILE A 112 2.449 -1.089 -8.301 1.00 1.68 H new ATOM 1798 N GLU A 113 0.079 -3.633 -12.679 1.00 1.24 N ATOM 1799 CA GLU A 113 -1.097 -4.356 -13.109 1.00 1.04 C ATOM 1800 C GLU A 113 -1.158 -5.731 -12.465 1.00 0.85 C ATOM 1801 O GLU A 113 -1.955 -5.924 -11.552 1.00 0.79 O ATOM 1802 CB GLU A 113 -1.173 -4.440 -14.640 1.00 1.12 C ATOM 1803 CG GLU A 113 -1.635 -3.116 -15.261 1.00 1.65 C ATOM 1804 CD GLU A 113 -1.569 -3.169 -16.776 1.00 2.23 C ATOM 1805 OE1 GLU A 113 -2.497 -3.723 -17.406 1.00 2.64 O ATOM 1806 OE2 GLU A 113 -0.620 -2.605 -17.366 1.00 3.25 O ATOM 0 H GLU A 113 0.562 -3.177 -13.453 1.00 1.24 H new ATOM 0 HA GLU A 113 -1.973 -3.800 -12.775 1.00 1.04 H new ATOM 0 HB2 GLU A 113 -0.194 -4.706 -15.038 1.00 1.12 H new ATOM 0 HB3 GLU A 113 -1.861 -5.235 -14.927 1.00 1.12 H new ATOM 0 HG2 GLU A 113 -2.656 -2.900 -14.946 1.00 1.65 H new ATOM 0 HG3 GLU A 113 -1.010 -2.302 -14.895 1.00 1.65 H new ATOM 1813 N GLU A 114 -0.359 -6.698 -12.932 1.00 0.87 N ATOM 1814 CA GLU A 114 -0.525 -8.066 -12.469 1.00 0.87 C ATOM 1815 C GLU A 114 -0.487 -8.105 -10.944 1.00 0.82 C ATOM 1816 O GLU A 114 -1.429 -8.591 -10.316 1.00 0.82 O ATOM 1817 CB GLU A 114 0.488 -9.002 -13.116 1.00 1.02 C ATOM 1818 CG GLU A 114 0.154 -10.453 -12.743 1.00 1.32 C ATOM 1819 CD GLU A 114 1.031 -11.491 -13.427 1.00 1.34 C ATOM 1820 OE1 GLU A 114 2.106 -11.105 -13.928 1.00 2.47 O ATOM 1821 OE2 GLU A 114 0.596 -12.665 -13.405 1.00 1.93 O ATOM 0 H GLU A 114 0.388 -6.558 -13.612 1.00 0.87 H new ATOM 0 HA GLU A 114 -1.503 -8.432 -12.781 1.00 0.87 H new ATOM 0 HB2 GLU A 114 0.472 -8.881 -14.199 1.00 1.02 H new ATOM 0 HB3 GLU A 114 1.495 -8.752 -12.782 1.00 1.02 H new ATOM 0 HG2 GLU A 114 0.248 -10.569 -11.663 1.00 1.32 H new ATOM 0 HG3 GLU A 114 -0.888 -10.651 -12.996 1.00 1.32 H new ATOM 1828 N PHE A 115 0.565 -7.528 -10.358 1.00 0.85 N ATOM 1829 CA PHE A 115 0.710 -7.493 -8.915 1.00 0.81 C ATOM 1830 C PHE A 115 -0.545 -6.928 -8.243 1.00 0.72 C ATOM 1831 O PHE A 115 -1.224 -7.638 -7.497 1.00 0.66 O ATOM 1832 CB PHE A 115 1.951 -6.687 -8.517 1.00 0.88 C ATOM 1833 CG PHE A 115 2.030 -6.445 -7.020 1.00 0.78 C ATOM 1834 CD1 PHE A 115 1.845 -7.519 -6.126 1.00 1.77 C ATOM 1835 CD2 PHE A 115 2.056 -5.128 -6.528 1.00 2.16 C ATOM 1836 CE1 PHE A 115 1.631 -7.269 -4.759 1.00 1.91 C ATOM 1837 CE2 PHE A 115 1.876 -4.883 -5.158 1.00 2.09 C ATOM 1838 CZ PHE A 115 1.645 -5.950 -4.274 1.00 0.93 C ATOM 0 H PHE A 115 1.326 -7.080 -10.869 1.00 0.85 H new ATOM 0 HA PHE A 115 0.839 -8.518 -8.566 1.00 0.81 H new ATOM 0 HB2 PHE A 115 2.845 -7.217 -8.844 1.00 0.88 H new ATOM 0 HB3 PHE A 115 1.941 -5.729 -9.037 1.00 0.88 H new ATOM 0 HD1 PHE A 115 1.868 -8.535 -6.491 1.00 1.77 H new ATOM 0 HD2 PHE A 115 2.215 -4.303 -7.206 1.00 2.16 H new ATOM 0 HE1 PHE A 115 1.456 -8.091 -4.081 1.00 1.91 H new ATOM 0 HE2 PHE A 115 1.915 -3.871 -4.782 1.00 2.09 H new ATOM 0 HZ PHE A 115 1.479 -5.757 -3.224 1.00 0.93 H new ATOM 1848 N ALA A 116 -0.851 -5.646 -8.474 1.00 0.81 N ATOM 1849 CA ALA A 116 -1.874 -4.942 -7.729 1.00 0.90 C ATOM 1850 C ALA A 116 -3.277 -5.463 -8.044 1.00 0.94 C ATOM 1851 O ALA A 116 -4.180 -5.263 -7.233 1.00 1.01 O ATOM 1852 CB ALA A 116 -1.739 -3.430 -7.898 1.00 1.27 C ATOM 0 H ALA A 116 -0.391 -5.077 -9.184 1.00 0.81 H new ATOM 0 HA ALA A 116 -1.718 -5.150 -6.670 1.00 0.90 H new ATOM 0 HB1 ALA A 116 -2.521 -2.929 -7.327 1.00 1.27 H new ATOM 0 HB2 ALA A 116 -0.762 -3.109 -7.535 1.00 1.27 H new ATOM 0 HB3 ALA A 116 -1.837 -3.172 -8.952 1.00 1.27 H new ATOM 1858 N LEU A 117 -3.487 -6.133 -9.185 1.00 0.95 N ATOM 1859 CA LEU A 117 -4.729 -6.847 -9.463 1.00 1.06 C ATOM 1860 C LEU A 117 -4.819 -8.057 -8.547 1.00 1.00 C ATOM 1861 O LEU A 117 -5.766 -8.206 -7.779 1.00 1.07 O ATOM 1862 CB LEU A 117 -4.788 -7.313 -10.923 1.00 1.16 C ATOM 1863 CG LEU A 117 -6.190 -7.348 -11.553 1.00 1.35 C ATOM 1864 CD1 LEU A 117 -7.186 -8.118 -10.683 1.00 1.64 C ATOM 1865 CD2 LEU A 117 -6.724 -5.945 -11.865 1.00 1.54 C ATOM 0 H LEU A 117 -2.799 -6.192 -9.936 1.00 0.95 H new ATOM 0 HA LEU A 117 -5.565 -6.170 -9.287 1.00 1.06 H new ATOM 0 HB2 LEU A 117 -4.157 -6.656 -11.521 1.00 1.16 H new ATOM 0 HB3 LEU A 117 -4.357 -8.312 -10.984 1.00 1.16 H new ATOM 0 HG LEU A 117 -6.083 -7.879 -12.499 1.00 1.35 H new ATOM 0 HD11 LEU A 117 -8.164 -8.119 -11.164 1.00 1.64 H new ATOM 0 HD12 LEU A 117 -6.842 -9.145 -10.558 1.00 1.64 H new ATOM 0 HD13 LEU A 117 -7.262 -7.639 -9.707 1.00 1.64 H new ATOM 0 HD21 LEU A 117 -7.717 -6.024 -12.308 1.00 1.54 H new ATOM 0 HD22 LEU A 117 -6.783 -5.365 -10.944 1.00 1.54 H new ATOM 0 HD23 LEU A 117 -6.053 -5.447 -12.565 1.00 1.54 H new ATOM 1877 N LYS A 118 -3.828 -8.937 -8.685 1.00 0.92 N ATOM 1878 CA LYS A 118 -3.840 -10.262 -8.093 1.00 0.89 C ATOM 1879 C LYS A 118 -3.962 -10.131 -6.582 1.00 0.87 C ATOM 1880 O LYS A 118 -4.751 -10.829 -5.947 1.00 1.04 O ATOM 1881 CB LYS A 118 -2.540 -10.974 -8.465 1.00 0.97 C ATOM 1882 CG LYS A 118 -2.429 -11.295 -9.962 1.00 1.64 C ATOM 1883 CD LYS A 118 -2.945 -12.694 -10.336 1.00 1.91 C ATOM 1884 CE LYS A 118 -2.280 -13.171 -11.638 1.00 2.72 C ATOM 1885 NZ LYS A 118 -0.856 -13.507 -11.435 1.00 3.18 N ATOM 0 H LYS A 118 -2.983 -8.740 -9.221 1.00 0.92 H new ATOM 0 HA LYS A 118 -4.686 -10.841 -8.464 1.00 0.89 H new ATOM 0 HB2 LYS A 118 -1.696 -10.351 -8.171 1.00 0.97 H new ATOM 0 HB3 LYS A 118 -2.466 -11.900 -7.896 1.00 0.97 H new ATOM 0 HG2 LYS A 118 -2.988 -10.549 -10.527 1.00 1.64 H new ATOM 0 HG3 LYS A 118 -1.386 -11.209 -10.266 1.00 1.64 H new ATOM 0 HD2 LYS A 118 -2.731 -13.397 -9.531 1.00 1.91 H new ATOM 0 HD3 LYS A 118 -4.028 -12.670 -10.459 1.00 1.91 H new ATOM 0 HE2 LYS A 118 -2.809 -14.045 -12.017 1.00 2.72 H new ATOM 0 HE3 LYS A 118 -2.365 -12.393 -12.396 1.00 2.72 H new ATOM 0 HZ1 LYS A 118 -0.366 -13.510 -12.352 1.00 3.18 H new ATOM 0 HZ2 LYS A 118 -0.418 -12.800 -10.811 1.00 3.18 H new ATOM 0 HZ3 LYS A 118 -0.780 -14.448 -10.999 1.00 3.18 H new ATOM 1899 N SER A 119 -3.174 -9.216 -6.021 1.00 0.78 N ATOM 1900 CA SER A 119 -3.203 -8.929 -4.605 1.00 0.86 C ATOM 1901 C SER A 119 -4.553 -8.341 -4.199 1.00 0.96 C ATOM 1902 O SER A 119 -5.308 -8.949 -3.446 1.00 1.17 O ATOM 1903 CB SER A 119 -2.057 -7.968 -4.286 1.00 0.85 C ATOM 1904 OG SER A 119 -2.133 -6.818 -5.092 1.00 2.01 O ATOM 0 H SER A 119 -2.500 -8.657 -6.544 1.00 0.78 H new ATOM 0 HA SER A 119 -3.074 -9.849 -4.034 1.00 0.86 H new ATOM 0 HB2 SER A 119 -2.096 -7.684 -3.234 1.00 0.85 H new ATOM 0 HB3 SER A 119 -1.102 -8.468 -4.446 1.00 0.85 H new ATOM 0 HG SER A 119 -1.700 -6.993 -5.953 1.00 2.01 H new ATOM 1910 N PHE A 120 -4.812 -7.109 -4.639 1.00 1.05 N ATOM 1911 CA PHE A 120 -5.898 -6.285 -4.136 1.00 1.24 C ATOM 1912 C PHE A 120 -7.029 -6.195 -5.146 1.00 1.32 C ATOM 1913 O PHE A 120 -8.142 -6.596 -4.819 1.00 1.61 O ATOM 1914 CB PHE A 120 -5.355 -4.913 -3.711 1.00 1.29 C ATOM 1915 CG PHE A 120 -4.307 -4.912 -2.604 1.00 1.29 C ATOM 1916 CD1 PHE A 120 -4.051 -6.055 -1.815 1.00 2.19 C ATOM 1917 CD2 PHE A 120 -3.585 -3.731 -2.346 1.00 1.78 C ATOM 1918 CE1 PHE A 120 -2.990 -6.061 -0.896 1.00 2.13 C ATOM 1919 CE2 PHE A 120 -2.568 -3.719 -1.374 1.00 1.83 C ATOM 1920 CZ PHE A 120 -2.230 -4.901 -0.693 1.00 1.30 C ATOM 0 H PHE A 120 -4.261 -6.654 -5.367 1.00 1.05 H new ATOM 0 HA PHE A 120 -6.328 -6.751 -3.249 1.00 1.24 H new ATOM 0 HB2 PHE A 120 -4.926 -4.429 -4.588 1.00 1.29 H new ATOM 0 HB3 PHE A 120 -6.195 -4.299 -3.387 1.00 1.29 H new ATOM 0 HD1 PHE A 120 -4.675 -6.930 -1.919 1.00 2.19 H new ATOM 0 HD2 PHE A 120 -3.813 -2.830 -2.897 1.00 1.78 H new ATOM 0 HE1 PHE A 120 -2.759 -6.961 -0.345 1.00 2.13 H new ATOM 0 HE2 PHE A 120 -2.046 -2.800 -1.151 1.00 1.83 H new ATOM 0 HZ PHE A 120 -1.388 -4.915 -0.016 1.00 1.30 H new ATOM 1930 N LYS A 121 -6.755 -5.731 -6.363 1.00 1.29 N ATOM 1931 CA LYS A 121 -7.557 -4.840 -7.204 1.00 1.57 C ATOM 1932 C LYS A 121 -7.189 -3.352 -7.014 1.00 1.81 C ATOM 1933 O LYS A 121 -8.031 -2.507 -6.723 1.00 2.36 O ATOM 1934 CB LYS A 121 -9.063 -5.194 -7.219 1.00 1.75 C ATOM 1935 CG LYS A 121 -10.022 -4.387 -6.332 1.00 1.94 C ATOM 1936 CD LYS A 121 -9.556 -4.166 -4.892 1.00 2.22 C ATOM 1937 CE LYS A 121 -10.306 -2.991 -4.269 1.00 2.29 C ATOM 1938 NZ LYS A 121 -9.952 -2.750 -2.858 1.00 3.61 N ATOM 0 H LYS A 121 -5.887 -5.992 -6.830 1.00 1.29 H new ATOM 0 HA LYS A 121 -7.275 -5.030 -8.240 1.00 1.57 H new ATOM 0 HB2 LYS A 121 -9.412 -5.106 -8.248 1.00 1.75 H new ATOM 0 HB3 LYS A 121 -9.158 -6.243 -6.939 1.00 1.75 H new ATOM 0 HG2 LYS A 121 -10.187 -3.414 -6.796 1.00 1.94 H new ATOM 0 HG3 LYS A 121 -10.985 -4.897 -6.310 1.00 1.94 H new ATOM 0 HD2 LYS A 121 -9.726 -5.068 -4.304 1.00 2.22 H new ATOM 0 HD3 LYS A 121 -8.483 -3.972 -4.875 1.00 2.22 H new ATOM 0 HE2 LYS A 121 -10.098 -2.090 -4.847 1.00 2.29 H new ATOM 0 HE3 LYS A 121 -11.378 -3.175 -4.340 1.00 2.29 H new ATOM 0 HZ1 LYS A 121 -9.707 -1.748 -2.728 1.00 3.61 H new ATOM 0 HZ2 LYS A 121 -10.762 -2.990 -2.251 1.00 3.61 H new ATOM 0 HZ3 LYS A 121 -9.137 -3.342 -2.599 1.00 3.61 H new ATOM 1952 N ALA A 122 -5.907 -3.012 -7.195 1.00 1.55 N ATOM 1953 CA ALA A 122 -5.415 -1.644 -7.012 1.00 1.86 C ATOM 1954 C ALA A 122 -4.372 -1.242 -8.065 1.00 1.91 C ATOM 1955 O ALA A 122 -3.365 -0.622 -7.728 1.00 2.98 O ATOM 1956 CB ALA A 122 -4.863 -1.503 -5.588 1.00 2.04 C ATOM 0 H ALA A 122 -5.184 -3.677 -7.472 1.00 1.55 H new ATOM 0 HA ALA A 122 -6.249 -0.956 -7.152 1.00 1.86 H new ATOM 0 HB1 ALA A 122 -4.494 -0.488 -5.440 1.00 2.04 H new ATOM 0 HB2 ALA A 122 -5.655 -1.709 -4.869 1.00 2.04 H new ATOM 0 HB3 ALA A 122 -4.047 -2.211 -5.442 1.00 2.04 H new ATOM 1962 N ILE A 123 -4.601 -1.584 -9.337 1.00 1.64 N ATOM 1963 CA ILE A 123 -3.741 -1.132 -10.433 1.00 1.53 C ATOM 1964 C ILE A 123 -4.160 0.267 -10.870 1.00 1.52 C ATOM 1965 O ILE A 123 -5.258 0.712 -10.534 1.00 2.29 O ATOM 1966 CB ILE A 123 -3.721 -2.110 -11.630 1.00 2.33 C ATOM 1967 CG1 ILE A 123 -4.712 -1.829 -12.773 1.00 3.64 C ATOM 1968 CG2 ILE A 123 -3.891 -3.572 -11.185 1.00 3.68 C ATOM 1969 CD1 ILE A 123 -6.174 -2.022 -12.388 1.00 4.88 C ATOM 0 H ILE A 123 -5.378 -2.175 -9.633 1.00 1.64 H new ATOM 0 HA ILE A 123 -2.718 -1.104 -10.056 1.00 1.53 H new ATOM 0 HB ILE A 123 -2.728 -1.935 -12.045 1.00 2.33 H new ATOM 0 HG12 ILE A 123 -4.570 -0.805 -13.119 1.00 3.64 H new ATOM 0 HG13 ILE A 123 -4.478 -2.485 -13.612 1.00 3.64 H new ATOM 0 HG21 ILE A 123 -3.871 -4.223 -12.059 1.00 3.68 H new ATOM 0 HG22 ILE A 123 -3.079 -3.844 -10.511 1.00 3.68 H new ATOM 0 HG23 ILE A 123 -4.844 -3.687 -10.669 1.00 3.68 H new ATOM 0 HD11 ILE A 123 -6.808 -1.805 -13.247 1.00 4.88 H new ATOM 0 HD12 ILE A 123 -6.334 -3.052 -12.071 1.00 4.88 H new ATOM 0 HD13 ILE A 123 -6.427 -1.347 -11.570 1.00 4.88 H new ATOM 2201 N SER A 138 -7.093 3.902 2.827 1.00 2.12 N ATOM 2202 CA SER A 138 -7.456 2.667 3.503 1.00 1.78 C ATOM 2203 C SER A 138 -6.280 1.698 3.444 1.00 1.31 C ATOM 2204 O SER A 138 -5.751 1.417 2.370 1.00 1.56 O ATOM 2205 CB SER A 138 -8.728 2.049 2.917 1.00 1.92 C ATOM 2206 OG SER A 138 -9.777 3.005 2.851 1.00 2.65 O ATOM 0 HA SER A 138 -7.679 2.890 4.546 1.00 1.78 H new ATOM 0 HB2 SER A 138 -8.522 1.661 1.919 1.00 1.92 H new ATOM 0 HB3 SER A 138 -9.041 1.203 3.529 1.00 1.92 H new ATOM 0 HG SER A 138 -9.399 3.895 2.692 1.00 2.65 H new ATOM 2212 N PHE A 139 -5.914 1.183 4.612 1.00 1.02 N ATOM 2213 CA PHE A 139 -4.808 0.285 4.853 1.00 0.68 C ATOM 2214 C PHE A 139 -5.162 -1.112 4.362 1.00 0.54 C ATOM 2215 O PHE A 139 -6.341 -1.463 4.307 1.00 0.60 O ATOM 2216 CB PHE A 139 -4.640 0.163 6.369 1.00 0.99 C ATOM 2217 CG PHE A 139 -3.976 1.363 6.983 1.00 0.68 C ATOM 2218 CD1 PHE A 139 -2.584 1.492 6.860 1.00 1.61 C ATOM 2219 CD2 PHE A 139 -4.741 2.404 7.537 1.00 1.97 C ATOM 2220 CE1 PHE A 139 -1.952 2.660 7.302 1.00 1.57 C ATOM 2221 CE2 PHE A 139 -4.110 3.580 7.968 1.00 2.32 C ATOM 2222 CZ PHE A 139 -2.719 3.711 7.830 1.00 1.36 C ATOM 0 H PHE A 139 -6.422 1.401 5.469 1.00 1.02 H new ATOM 0 HA PHE A 139 -3.917 0.662 4.350 1.00 0.68 H new ATOM 0 HB2 PHE A 139 -5.619 0.021 6.828 1.00 0.99 H new ATOM 0 HB3 PHE A 139 -4.051 -0.726 6.594 1.00 0.99 H new ATOM 0 HD1 PHE A 139 -2.002 0.692 6.426 1.00 1.61 H new ATOM 0 HD2 PHE A 139 -5.812 2.299 7.630 1.00 1.97 H new ATOM 0 HE1 PHE A 139 -0.878 2.753 7.237 1.00 1.57 H new ATOM 0 HE2 PHE A 139 -4.691 4.380 8.403 1.00 2.32 H new ATOM 0 HZ PHE A 139 -2.235 4.628 8.132 1.00 1.36 H new ATOM 2232 N TYR A 140 -4.133 -1.922 4.109 1.00 0.49 N ATOM 2233 CA TYR A 140 -4.235 -3.361 3.923 1.00 0.52 C ATOM 2234 C TYR A 140 -3.255 -4.046 4.888 1.00 0.58 C ATOM 2235 O TYR A 140 -2.051 -3.982 4.658 1.00 0.96 O ATOM 2236 CB TYR A 140 -3.894 -3.686 2.459 1.00 0.57 C ATOM 2237 CG TYR A 140 -5.070 -3.723 1.501 1.00 0.78 C ATOM 2238 CD1 TYR A 140 -5.674 -2.541 1.037 1.00 1.54 C ATOM 2239 CD2 TYR A 140 -5.484 -4.959 0.979 1.00 2.40 C ATOM 2240 CE1 TYR A 140 -6.679 -2.604 0.052 1.00 1.57 C ATOM 2241 CE2 TYR A 140 -6.517 -5.028 0.033 1.00 2.72 C ATOM 2242 CZ TYR A 140 -7.127 -3.851 -0.418 1.00 1.55 C ATOM 2243 OH TYR A 140 -8.077 -3.931 -1.399 1.00 2.08 O ATOM 0 H TYR A 140 -3.176 -1.578 4.026 1.00 0.49 H new ATOM 0 HA TYR A 140 -5.242 -3.721 4.135 1.00 0.52 H new ATOM 0 HB2 TYR A 140 -3.179 -2.946 2.099 1.00 0.57 H new ATOM 0 HB3 TYR A 140 -3.394 -4.654 2.428 1.00 0.57 H new ATOM 0 HD1 TYR A 140 -5.367 -1.585 1.436 1.00 1.54 H new ATOM 0 HD2 TYR A 140 -5.001 -5.867 1.310 1.00 2.40 H new ATOM 0 HE1 TYR A 140 -7.106 -1.694 -0.342 1.00 1.57 H new ATOM 0 HE2 TYR A 140 -6.841 -5.986 -0.346 1.00 2.72 H new ATOM 0 HH TYR A 140 -8.263 -4.872 -1.598 1.00 2.08 H new ATOM 2253 N LEU A 141 -3.714 -4.696 5.967 1.00 0.40 N ATOM 2254 CA LEU A 141 -2.818 -5.474 6.830 1.00 0.37 C ATOM 2255 C LEU A 141 -2.632 -6.857 6.225 1.00 0.36 C ATOM 2256 O LEU A 141 -3.567 -7.665 6.171 1.00 0.39 O ATOM 2257 CB LEU A 141 -3.316 -5.505 8.281 1.00 0.40 C ATOM 2258 CG LEU A 141 -2.509 -6.416 9.233 1.00 0.38 C ATOM 2259 CD1 LEU A 141 -2.503 -5.774 10.627 1.00 0.72 C ATOM 2260 CD2 LEU A 141 -3.144 -7.811 9.356 1.00 0.61 C ATOM 0 H LEU A 141 -4.691 -4.698 6.260 1.00 0.40 H new ATOM 0 HA LEU A 141 -1.841 -4.994 6.878 1.00 0.37 H new ATOM 0 HB2 LEU A 141 -3.300 -4.489 8.676 1.00 0.40 H new ATOM 0 HB3 LEU A 141 -4.356 -5.832 8.285 1.00 0.40 H new ATOM 0 HG LEU A 141 -1.502 -6.525 8.831 1.00 0.38 H new ATOM 0 HD11 LEU A 141 -1.938 -6.403 11.315 1.00 0.72 H new ATOM 0 HD12 LEU A 141 -2.040 -4.789 10.572 1.00 0.72 H new ATOM 0 HD13 LEU A 141 -3.527 -5.674 10.986 1.00 0.72 H new ATOM 0 HD21 LEU A 141 -2.549 -8.423 10.033 1.00 0.61 H new ATOM 0 HD22 LEU A 141 -4.157 -7.716 9.747 1.00 0.61 H new ATOM 0 HD23 LEU A 141 -3.177 -8.284 8.374 1.00 0.61 H new ATOM 2272 N VAL A 142 -1.409 -7.110 5.757 1.00 0.35 N ATOM 2273 CA VAL A 142 -1.054 -8.332 5.087 1.00 0.37 C ATOM 2274 C VAL A 142 -0.569 -9.321 6.138 1.00 0.42 C ATOM 2275 O VAL A 142 0.351 -9.033 6.900 1.00 0.47 O ATOM 2276 CB VAL A 142 -0.018 -8.074 3.992 1.00 0.41 C ATOM 2277 CG1 VAL A 142 0.053 -9.328 3.109 1.00 0.48 C ATOM 2278 CG2 VAL A 142 -0.376 -6.851 3.139 1.00 0.45 C ATOM 0 H VAL A 142 -0.634 -6.452 5.841 1.00 0.35 H new ATOM 0 HA VAL A 142 -1.919 -8.758 4.579 1.00 0.37 H new ATOM 0 HB VAL A 142 0.946 -7.864 4.455 1.00 0.41 H new ATOM 0 HG11 VAL A 142 0.786 -9.174 2.317 1.00 0.48 H new ATOM 0 HG12 VAL A 142 0.349 -10.184 3.716 1.00 0.48 H new ATOM 0 HG13 VAL A 142 -0.925 -9.518 2.667 1.00 0.48 H new ATOM 0 HG21 VAL A 142 0.387 -6.705 2.374 1.00 0.45 H new ATOM 0 HG22 VAL A 142 -1.343 -7.011 2.662 1.00 0.45 H new ATOM 0 HG23 VAL A 142 -0.427 -5.967 3.774 1.00 0.45 H new ATOM 2288 N GLY A 143 -1.217 -10.479 6.206 1.00 0.48 N ATOM 2289 CA GLY A 143 -0.850 -11.540 7.118 1.00 0.53 C ATOM 2290 C GLY A 143 0.470 -12.197 6.723 1.00 0.48 C ATOM 2291 O GLY A 143 1.127 -11.780 5.769 1.00 0.59 O ATOM 0 H GLY A 143 -2.021 -10.703 5.619 1.00 0.48 H new ATOM 0 HA2 GLY A 143 -0.768 -11.139 8.128 1.00 0.53 H new ATOM 0 HA3 GLY A 143 -1.639 -12.292 7.137 1.00 0.53 H new ATOM 2295 N PRO A 144 0.840 -13.265 7.443 1.00 0.47 N ATOM 2296 CA PRO A 144 2.133 -13.888 7.320 1.00 0.51 C ATOM 2297 C PRO A 144 2.262 -14.462 5.921 1.00 0.55 C ATOM 2298 O PRO A 144 3.177 -14.082 5.208 1.00 1.07 O ATOM 2299 CB PRO A 144 2.196 -14.923 8.445 1.00 0.66 C ATOM 2300 CG PRO A 144 0.740 -15.306 8.694 1.00 0.69 C ATOM 2301 CD PRO A 144 -0.020 -14.028 8.327 1.00 0.59 C ATOM 0 HA PRO A 144 2.977 -13.207 7.431 1.00 0.51 H new ATOM 0 HB2 PRO A 144 2.790 -15.789 8.154 1.00 0.66 H new ATOM 0 HB3 PRO A 144 2.656 -14.507 9.342 1.00 0.66 H new ATOM 0 HG2 PRO A 144 0.433 -16.150 8.076 1.00 0.69 H new ATOM 0 HG3 PRO A 144 0.570 -15.593 9.732 1.00 0.69 H new ATOM 0 HD2 PRO A 144 -0.963 -14.267 7.836 1.00 0.59 H new ATOM 0 HD3 PRO A 144 -0.263 -13.453 9.221 1.00 0.59 H new ATOM 2309 N ASP A 145 1.340 -15.323 5.488 1.00 0.63 N ATOM 2310 CA ASP A 145 1.423 -16.022 4.206 1.00 0.65 C ATOM 2311 C ASP A 145 0.979 -15.134 3.042 1.00 0.63 C ATOM 2312 O ASP A 145 0.312 -15.602 2.125 1.00 1.40 O ATOM 2313 CB ASP A 145 0.571 -17.295 4.272 1.00 1.19 C ATOM 2314 CG ASP A 145 0.862 -18.087 5.525 1.00 2.14 C ATOM 2315 OD1 ASP A 145 2.040 -18.482 5.679 1.00 3.44 O ATOM 2316 OD2 ASP A 145 -0.082 -18.183 6.341 1.00 2.73 O ATOM 0 H ASP A 145 0.505 -15.557 6.025 1.00 0.63 H new ATOM 0 HA ASP A 145 2.465 -16.285 4.023 1.00 0.65 H new ATOM 0 HB2 ASP A 145 -0.486 -17.029 4.245 1.00 1.19 H new ATOM 0 HB3 ASP A 145 0.767 -17.912 3.395 1.00 1.19 H new ATOM 2321 N GLY A 146 1.281 -13.836 3.100 1.00 0.61 N ATOM 2322 CA GLY A 146 0.816 -12.880 2.108 1.00 0.65 C ATOM 2323 C GLY A 146 -0.711 -12.727 2.068 1.00 0.63 C ATOM 2324 O GLY A 146 -1.212 -12.012 1.206 1.00 0.78 O ATOM 0 H GLY A 146 1.854 -13.424 3.836 1.00 0.61 H new ATOM 0 HA2 GLY A 146 1.265 -11.908 2.314 1.00 0.65 H new ATOM 0 HA3 GLY A 146 1.167 -13.191 1.124 1.00 0.65 H new ATOM 2328 N LYS A 147 -1.462 -13.370 2.973 1.00 0.73 N ATOM 2329 CA LYS A 147 -2.915 -13.288 2.985 1.00 0.80 C ATOM 2330 C LYS A 147 -3.390 -12.097 3.795 1.00 0.71 C ATOM 2331 O LYS A 147 -3.106 -12.012 4.985 1.00 0.71 O ATOM 2332 CB LYS A 147 -3.590 -14.606 3.345 1.00 0.97 C ATOM 2333 CG LYS A 147 -3.313 -15.130 4.751 1.00 1.06 C ATOM 2334 CD LYS A 147 -3.730 -16.612 4.792 1.00 1.16 C ATOM 2335 CE LYS A 147 -3.742 -17.241 6.193 1.00 1.59 C ATOM 2336 NZ LYS A 147 -2.414 -17.252 6.843 1.00 2.76 N ATOM 0 H LYS A 147 -1.074 -13.957 3.711 1.00 0.73 H new ATOM 0 HA LYS A 147 -3.241 -13.105 1.961 1.00 0.80 H new ATOM 0 HB2 LYS A 147 -4.667 -14.485 3.228 1.00 0.97 H new ATOM 0 HB3 LYS A 147 -3.274 -15.363 2.627 1.00 0.97 H new ATOM 0 HG2 LYS A 147 -2.256 -15.024 4.997 1.00 1.06 H new ATOM 0 HG3 LYS A 147 -3.872 -14.555 5.490 1.00 1.06 H new ATOM 0 HD2 LYS A 147 -4.726 -16.706 4.359 1.00 1.16 H new ATOM 0 HD3 LYS A 147 -3.051 -17.183 4.159 1.00 1.16 H new ATOM 0 HE2 LYS A 147 -4.442 -16.693 6.823 1.00 1.59 H new ATOM 0 HE3 LYS A 147 -4.111 -18.264 6.121 1.00 1.59 H new ATOM 0 HZ1 LYS A 147 -2.513 -17.562 7.831 1.00 2.76 H new ATOM 0 HZ2 LYS A 147 -1.785 -17.907 6.336 1.00 2.76 H new ATOM 0 HZ3 LYS A 147 -2.008 -16.295 6.820 1.00 2.76 H new ATOM 2350 N VAL A 148 -4.122 -11.178 3.165 1.00 0.68 N ATOM 2351 CA VAL A 148 -4.579 -9.979 3.850 1.00 0.61 C ATOM 2352 C VAL A 148 -5.710 -10.375 4.787 1.00 0.65 C ATOM 2353 O VAL A 148 -6.566 -11.170 4.395 1.00 0.82 O ATOM 2354 CB VAL A 148 -5.045 -8.924 2.843 1.00 0.69 C ATOM 2355 CG1 VAL A 148 -5.346 -7.594 3.529 1.00 0.99 C ATOM 2356 CG2 VAL A 148 -4.017 -8.646 1.738 1.00 1.10 C ATOM 0 H VAL A 148 -4.407 -11.244 2.188 1.00 0.68 H new ATOM 0 HA VAL A 148 -3.762 -9.538 4.421 1.00 0.61 H new ATOM 0 HB VAL A 148 -5.945 -9.345 2.395 1.00 0.69 H new ATOM 0 HG11 VAL A 148 -5.674 -6.867 2.786 1.00 0.99 H new ATOM 0 HG12 VAL A 148 -6.133 -7.736 4.269 1.00 0.99 H new ATOM 0 HG13 VAL A 148 -4.446 -7.227 4.022 1.00 0.99 H new ATOM 0 HG21 VAL A 148 -4.409 -7.890 1.058 1.00 1.10 H new ATOM 0 HG22 VAL A 148 -3.090 -8.287 2.185 1.00 1.10 H new ATOM 0 HG23 VAL A 148 -3.820 -9.564 1.185 1.00 1.10 H new ATOM 2366 N LEU A 149 -5.661 -9.859 6.022 1.00 0.56 N ATOM 2367 CA LEU A 149 -6.518 -10.285 7.124 1.00 0.65 C ATOM 2368 C LEU A 149 -7.465 -9.189 7.594 1.00 0.65 C ATOM 2369 O LEU A 149 -8.559 -9.519 8.048 1.00 0.72 O ATOM 2370 CB LEU A 149 -5.660 -10.740 8.304 1.00 0.71 C ATOM 2371 CG LEU A 149 -5.025 -12.112 8.047 1.00 0.81 C ATOM 2372 CD1 LEU A 149 -3.758 -12.210 8.897 1.00 1.44 C ATOM 2373 CD2 LEU A 149 -5.981 -13.243 8.440 1.00 0.81 C ATOM 0 H LEU A 149 -5.009 -9.119 6.283 1.00 0.56 H new ATOM 0 HA LEU A 149 -7.125 -11.108 6.748 1.00 0.65 H new ATOM 0 HB2 LEU A 149 -4.877 -10.005 8.489 1.00 0.71 H new ATOM 0 HB3 LEU A 149 -6.273 -10.786 9.204 1.00 0.71 H new ATOM 0 HG LEU A 149 -4.798 -12.212 6.986 1.00 0.81 H new ATOM 0 HD11 LEU A 149 -3.284 -13.178 8.734 1.00 1.44 H new ATOM 0 HD12 LEU A 149 -3.067 -11.416 8.614 1.00 1.44 H new ATOM 0 HD13 LEU A 149 -4.018 -12.106 9.951 1.00 1.44 H new ATOM 0 HD21 LEU A 149 -5.506 -14.205 8.247 1.00 0.81 H new ATOM 0 HD22 LEU A 149 -6.223 -13.163 9.500 1.00 0.81 H new ATOM 0 HD23 LEU A 149 -6.896 -13.167 7.853 1.00 0.81 H new ATOM 2385 N LYS A 150 -7.050 -7.917 7.547 1.00 0.62 N ATOM 2386 CA LYS A 150 -7.900 -6.789 7.876 1.00 0.63 C ATOM 2387 C LYS A 150 -7.518 -5.545 7.063 1.00 0.69 C ATOM 2388 O LYS A 150 -6.326 -5.276 6.905 1.00 0.88 O ATOM 2389 CB LYS A 150 -7.794 -6.484 9.370 1.00 0.78 C ATOM 2390 CG LYS A 150 -8.493 -7.539 10.242 1.00 0.91 C ATOM 2391 CD LYS A 150 -8.844 -7.038 11.653 1.00 1.46 C ATOM 2392 CE LYS A 150 -9.808 -5.841 11.663 1.00 2.19 C ATOM 2393 NZ LYS A 150 -10.931 -6.003 10.718 1.00 3.30 N ATOM 0 H LYS A 150 -6.104 -7.650 7.276 1.00 0.62 H new ATOM 0 HA LYS A 150 -8.927 -7.053 7.625 1.00 0.63 H new ATOM 0 HB2 LYS A 150 -6.742 -6.425 9.651 1.00 0.78 H new ATOM 0 HB3 LYS A 150 -8.232 -5.506 9.569 1.00 0.78 H new ATOM 0 HG2 LYS A 150 -9.406 -7.863 9.743 1.00 0.91 H new ATOM 0 HG3 LYS A 150 -7.848 -8.414 10.326 1.00 0.91 H new ATOM 0 HD2 LYS A 150 -9.289 -7.856 12.219 1.00 1.46 H new ATOM 0 HD3 LYS A 150 -7.925 -6.757 12.168 1.00 1.46 H new ATOM 0 HE2 LYS A 150 -10.203 -5.707 12.670 1.00 2.19 H new ATOM 0 HE3 LYS A 150 -9.257 -4.934 11.413 1.00 2.19 H new ATOM 0 HZ1 LYS A 150 -11.491 -5.127 10.691 1.00 3.30 H new ATOM 0 HZ2 LYS A 150 -10.559 -6.205 9.768 1.00 3.30 H new ATOM 0 HZ3 LYS A 150 -11.535 -6.791 11.028 1.00 3.30 H new ATOM 2407 N ASP A 151 -8.525 -4.781 6.621 1.00 0.70 N ATOM 2408 CA ASP A 151 -8.399 -3.571 5.812 1.00 0.72 C ATOM 2409 C ASP A 151 -9.258 -2.487 6.475 1.00 0.95 C ATOM 2410 O ASP A 151 -10.374 -2.751 6.899 1.00 1.61 O ATOM 2411 CB ASP A 151 -8.859 -3.838 4.372 1.00 0.84 C ATOM 2412 CG ASP A 151 -8.040 -4.849 3.585 1.00 1.46 C ATOM 2413 OD1 ASP A 151 -7.007 -5.306 4.111 1.00 2.69 O ATOM 2414 OD2 ASP A 151 -8.466 -5.155 2.451 1.00 1.91 O ATOM 0 H ASP A 151 -9.498 -5.005 6.831 1.00 0.70 H new ATOM 0 HA ASP A 151 -7.360 -3.246 5.759 1.00 0.72 H new ATOM 0 HB2 ASP A 151 -9.893 -4.182 4.400 1.00 0.84 H new ATOM 0 HB3 ASP A 151 -8.852 -2.893 3.829 1.00 0.84 H new ATOM 2419 N TYR A 152 -8.741 -1.279 6.657 1.00 0.92 N ATOM 2420 CA TYR A 152 -9.306 -0.312 7.599 1.00 1.12 C ATOM 2421 C TYR A 152 -8.836 1.078 7.199 1.00 1.43 C ATOM 2422 O TYR A 152 -7.810 1.193 6.539 1.00 1.67 O ATOM 2423 CB TYR A 152 -8.917 -0.664 9.041 1.00 1.61 C ATOM 2424 CG TYR A 152 -7.432 -0.863 9.265 1.00 2.05 C ATOM 2425 CD1 TYR A 152 -6.853 -2.121 9.025 1.00 3.79 C ATOM 2426 CD2 TYR A 152 -6.622 0.213 9.671 1.00 2.96 C ATOM 2427 CE1 TYR A 152 -5.466 -2.294 9.149 1.00 5.39 C ATOM 2428 CE2 TYR A 152 -5.238 0.030 9.827 1.00 4.84 C ATOM 2429 CZ TYR A 152 -4.656 -1.218 9.546 1.00 5.81 C ATOM 2430 OH TYR A 152 -3.307 -1.376 9.653 1.00 7.81 O ATOM 0 H TYR A 152 -7.919 -0.939 6.158 1.00 0.92 H new ATOM 0 HA TYR A 152 -10.395 -0.339 7.561 1.00 1.12 H new ATOM 0 HB2 TYR A 152 -9.267 0.129 9.701 1.00 1.61 H new ATOM 0 HB3 TYR A 152 -9.440 -1.575 9.332 1.00 1.61 H new ATOM 0 HD1 TYR A 152 -7.477 -2.957 8.744 1.00 3.79 H new ATOM 0 HD2 TYR A 152 -7.064 1.180 9.863 1.00 2.96 H new ATOM 0 HE1 TYR A 152 -5.021 -3.255 8.939 1.00 5.39 H new ATOM 0 HE2 TYR A 152 -4.620 0.850 10.163 1.00 4.84 H new ATOM 0 HH TYR A 152 -2.862 -0.524 9.461 1.00 7.81 H new ATOM 2440 N ASN A 153 -9.560 2.136 7.566 1.00 1.58 N ATOM 2441 CA ASN A 153 -9.346 3.456 6.996 1.00 1.84 C ATOM 2442 C ASN A 153 -9.307 4.530 8.070 1.00 2.29 C ATOM 2443 O ASN A 153 -10.234 4.653 8.866 1.00 3.71 O ATOM 2444 CB ASN A 153 -10.509 3.686 6.050 1.00 1.51 C ATOM 2445 CG ASN A 153 -10.514 5.032 5.345 1.00 1.85 C ATOM 2446 OD1 ASN A 153 -9.591 5.833 5.449 1.00 2.83 O ATOM 2447 ND2 ASN A 153 -11.605 5.308 4.651 1.00 1.74 N ATOM 0 H ASN A 153 -10.305 2.098 8.262 1.00 1.58 H new ATOM 0 HA ASN A 153 -8.386 3.510 6.482 1.00 1.84 H new ATOM 0 HB2 ASN A 153 -10.504 2.899 5.296 1.00 1.51 H new ATOM 0 HB3 ASN A 153 -11.438 3.584 6.611 1.00 1.51 H new ATOM 0 HD21 ASN A 153 -11.697 6.209 4.182 1.00 1.74 H new ATOM 0 HD22 ASN A 153 -12.355 4.620 4.584 1.00 1.74 H new ATOM 2520 N PRO A 159 -13.778 1.479 5.513 1.00 1.18 N ATOM 2521 CA PRO A 159 -12.700 0.725 6.128 1.00 1.01 C ATOM 2522 C PRO A 159 -11.974 -0.163 5.125 1.00 1.12 C ATOM 2523 O PRO A 159 -10.757 -0.055 5.029 1.00 1.37 O ATOM 2524 CB PRO A 159 -13.278 -0.024 7.332 1.00 1.05 C ATOM 2525 CG PRO A 159 -14.790 0.041 7.135 1.00 1.02 C ATOM 2526 CD PRO A 159 -15.020 1.251 6.229 1.00 1.16 C ATOM 0 HA PRO A 159 -11.919 1.396 6.487 1.00 1.01 H new ATOM 0 HB2 PRO A 159 -12.926 -1.055 7.364 1.00 1.05 H new ATOM 0 HB3 PRO A 159 -12.980 0.444 8.270 1.00 1.05 H new ATOM 0 HG2 PRO A 159 -15.168 -0.873 6.676 1.00 1.02 H new ATOM 0 HG3 PRO A 159 -15.307 0.157 8.087 1.00 1.02 H new ATOM 0 HD2 PRO A 159 -15.838 1.064 5.534 1.00 1.16 H new ATOM 0 HD3 PRO A 159 -15.295 2.127 6.816 1.00 1.16 H new ATOM 2534 N TYR A 160 -12.736 -0.926 4.334 1.00 1.16 N ATOM 2535 CA TYR A 160 -12.398 -2.001 3.415 1.00 1.45 C ATOM 2536 C TYR A 160 -12.427 -3.391 4.036 1.00 1.58 C ATOM 2537 O TYR A 160 -12.659 -4.308 3.264 1.00 1.71 O ATOM 2538 CB TYR A 160 -11.064 -1.803 2.675 1.00 1.94 C ATOM 2539 CG TYR A 160 -10.961 -0.855 1.491 1.00 2.13 C ATOM 2540 CD1 TYR A 160 -12.049 -0.653 0.623 1.00 2.17 C ATOM 2541 CD2 TYR A 160 -9.668 -0.528 1.040 1.00 3.54 C ATOM 2542 CE1 TYR A 160 -11.835 -0.265 -0.709 1.00 2.51 C ATOM 2543 CE2 TYR A 160 -9.467 -0.034 -0.261 1.00 3.88 C ATOM 2544 CZ TYR A 160 -10.545 0.050 -1.155 1.00 2.96 C ATOM 2545 OH TYR A 160 -10.288 -0.063 -2.491 1.00 3.66 O ATOM 0 H TYR A 160 -13.745 -0.775 4.330 1.00 1.16 H new ATOM 0 HA TYR A 160 -13.204 -1.942 2.684 1.00 1.45 H new ATOM 0 HB2 TYR A 160 -10.335 -1.472 3.414 1.00 1.94 H new ATOM 0 HB3 TYR A 160 -10.742 -2.785 2.327 1.00 1.94 H new ATOM 0 HD1 TYR A 160 -13.057 -0.797 0.984 1.00 2.17 H new ATOM 0 HD2 TYR A 160 -8.823 -0.658 1.699 1.00 3.54 H new ATOM 0 HE1 TYR A 160 -12.669 -0.209 -1.393 1.00 2.51 H new ATOM 0 HE2 TYR A 160 -8.482 0.281 -0.572 1.00 3.88 H new ATOM 0 HH TYR A 160 -9.357 0.186 -2.667 1.00 3.66 H new ATOM 2555 N ASP A 161 -12.379 -3.601 5.353 1.00 1.71 N ATOM 2556 CA ASP A 161 -12.613 -4.933 5.916 1.00 2.02 C ATOM 2557 C ASP A 161 -13.911 -5.503 5.345 1.00 1.63 C ATOM 2558 O ASP A 161 -13.962 -6.594 4.779 1.00 1.63 O ATOM 2559 CB ASP A 161 -12.836 -4.836 7.429 1.00 2.62 C ATOM 2560 CG ASP A 161 -11.624 -4.719 8.315 1.00 3.31 C ATOM 2561 OD1 ASP A 161 -10.674 -5.515 8.141 1.00 3.73 O ATOM 2562 OD2 ASP A 161 -11.711 -4.010 9.344 1.00 4.20 O ATOM 0 H ASP A 161 -12.183 -2.876 6.043 1.00 1.71 H new ATOM 0 HA ASP A 161 -11.749 -5.553 5.679 1.00 2.02 H new ATOM 0 HB2 ASP A 161 -13.473 -3.972 7.618 1.00 2.62 H new ATOM 0 HB3 ASP A 161 -13.395 -5.718 7.742 1.00 2.62 H new ATOM 2567 N ASP A 162 -14.947 -4.687 5.491 1.00 1.43 N ATOM 2568 CA ASP A 162 -16.312 -4.884 5.072 1.00 1.50 C ATOM 2569 C ASP A 162 -16.344 -5.166 3.578 1.00 1.18 C ATOM 2570 O ASP A 162 -16.783 -6.225 3.134 1.00 1.25 O ATOM 2571 CB ASP A 162 -17.118 -3.618 5.443 1.00 1.82 C ATOM 2572 CG ASP A 162 -16.551 -2.284 4.938 1.00 2.52 C ATOM 2573 OD1 ASP A 162 -15.337 -2.239 4.613 1.00 3.57 O ATOM 2574 OD2 ASP A 162 -17.338 -1.319 4.863 1.00 3.27 O ATOM 0 H ASP A 162 -14.831 -3.785 5.952 1.00 1.43 H new ATOM 0 HA ASP A 162 -16.762 -5.740 5.574 1.00 1.50 H new ATOM 0 HB2 ASP A 162 -18.130 -3.730 5.054 1.00 1.82 H new ATOM 0 HB3 ASP A 162 -17.197 -3.568 6.529 1.00 1.82 H new ATOM 2579 N ILE A 163 -15.865 -4.199 2.803 1.00 1.18 N ATOM 2580 CA ILE A 163 -16.017 -4.158 1.361 1.00 1.35 C ATOM 2581 C ILE A 163 -15.229 -5.315 0.750 1.00 1.26 C ATOM 2582 O ILE A 163 -15.763 -6.099 -0.032 1.00 1.39 O ATOM 2583 CB ILE A 163 -15.565 -2.785 0.835 1.00 1.58 C ATOM 2584 CG1 ILE A 163 -16.414 -1.647 1.438 1.00 1.67 C ATOM 2585 CG2 ILE A 163 -15.625 -2.711 -0.697 1.00 2.13 C ATOM 2586 CD1 ILE A 163 -15.555 -0.475 1.926 1.00 1.75 C ATOM 0 H ILE A 163 -15.347 -3.403 3.175 1.00 1.18 H new ATOM 0 HA ILE A 163 -17.061 -4.280 1.073 1.00 1.35 H new ATOM 0 HB ILE A 163 -14.528 -2.660 1.146 1.00 1.58 H new ATOM 0 HG12 ILE A 163 -17.121 -1.289 0.690 1.00 1.67 H new ATOM 0 HG13 ILE A 163 -17.000 -2.036 2.271 1.00 1.67 H new ATOM 0 HG21 ILE A 163 -15.298 -1.725 -1.027 1.00 2.13 H new ATOM 0 HG22 ILE A 163 -14.972 -3.472 -1.124 1.00 2.13 H new ATOM 0 HG23 ILE A 163 -16.648 -2.884 -1.030 1.00 2.13 H new ATOM 0 HD11 ILE A 163 -16.199 0.300 2.342 1.00 1.75 H new ATOM 0 HD12 ILE A 163 -14.865 -0.824 2.694 1.00 1.75 H new ATOM 0 HD13 ILE A 163 -14.989 -0.066 1.089 1.00 1.75 H new ATOM 2598 N ILE A 164 -13.948 -5.428 1.099 1.00 1.25 N ATOM 2599 CA ILE A 164 -13.081 -6.479 0.619 1.00 1.44 C ATOM 2600 C ILE A 164 -13.632 -7.822 1.074 1.00 1.18 C ATOM 2601 O ILE A 164 -13.758 -8.701 0.232 1.00 1.19 O ATOM 2602 CB ILE A 164 -11.633 -6.208 1.049 1.00 1.84 C ATOM 2603 CG1 ILE A 164 -10.990 -5.142 0.149 1.00 2.28 C ATOM 2604 CG2 ILE A 164 -10.759 -7.461 1.049 1.00 2.12 C ATOM 2605 CD1 ILE A 164 -11.818 -3.885 -0.117 1.00 2.22 C ATOM 0 H ILE A 164 -13.486 -4.777 1.734 1.00 1.25 H new ATOM 0 HA ILE A 164 -13.058 -6.505 -0.470 1.00 1.44 H new ATOM 0 HB ILE A 164 -11.689 -5.849 2.077 1.00 1.84 H new ATOM 0 HG12 ILE A 164 -10.045 -4.839 0.600 1.00 2.28 H new ATOM 0 HG13 ILE A 164 -10.752 -5.603 -0.810 1.00 2.28 H new ATOM 0 HG21 ILE A 164 -9.748 -7.200 1.362 1.00 2.12 H new ATOM 0 HG22 ILE A 164 -11.175 -8.195 1.740 1.00 2.12 H new ATOM 0 HG23 ILE A 164 -10.730 -7.884 0.045 1.00 2.12 H new ATOM 0 HD11 ILE A 164 -11.257 -3.210 -0.764 1.00 2.22 H new ATOM 0 HD12 ILE A 164 -12.753 -4.162 -0.604 1.00 2.22 H new ATOM 0 HD13 ILE A 164 -12.035 -3.386 0.827 1.00 2.22 H new ATOM 2617 N SER A 165 -13.992 -8.007 2.350 1.00 1.12 N ATOM 2618 CA SER A 165 -14.591 -9.271 2.767 1.00 1.22 C ATOM 2619 C SER A 165 -15.786 -9.594 1.871 1.00 1.09 C ATOM 2620 O SER A 165 -15.842 -10.672 1.287 1.00 1.17 O ATOM 2621 CB SER A 165 -15.022 -9.247 4.239 1.00 1.65 C ATOM 2622 OG SER A 165 -15.521 -10.521 4.608 1.00 2.53 O ATOM 0 H SER A 165 -13.881 -7.315 3.091 1.00 1.12 H new ATOM 0 HA SER A 165 -13.834 -10.049 2.665 1.00 1.22 H new ATOM 0 HB2 SER A 165 -14.176 -8.979 4.872 1.00 1.65 H new ATOM 0 HB3 SER A 165 -15.788 -8.487 4.392 1.00 1.65 H new ATOM 0 HG SER A 165 -14.801 -11.051 5.010 1.00 2.53 H new ATOM 2628 N ASP A 166 -16.726 -8.662 1.718 1.00 1.12 N ATOM 2629 CA ASP A 166 -17.933 -8.909 0.940 1.00 1.42 C ATOM 2630 C ASP A 166 -17.601 -9.303 -0.508 1.00 1.42 C ATOM 2631 O ASP A 166 -17.953 -10.392 -0.975 1.00 1.56 O ATOM 2632 CB ASP A 166 -18.832 -7.678 1.011 1.00 1.65 C ATOM 2633 CG ASP A 166 -20.077 -7.918 0.174 1.00 2.06 C ATOM 2634 OD1 ASP A 166 -20.963 -8.644 0.673 1.00 1.93 O ATOM 2635 OD2 ASP A 166 -20.093 -7.416 -0.971 1.00 3.33 O ATOM 0 H ASP A 166 -16.672 -7.728 2.125 1.00 1.12 H new ATOM 0 HA ASP A 166 -18.469 -9.757 1.366 1.00 1.42 H new ATOM 0 HB2 ASP A 166 -19.109 -7.474 2.045 1.00 1.65 H new ATOM 0 HB3 ASP A 166 -18.297 -6.801 0.646 1.00 1.65 H new ATOM 2640 N VAL A 167 -16.850 -8.443 -1.200 1.00 1.40 N ATOM 2641 CA VAL A 167 -16.422 -8.662 -2.574 1.00 1.67 C ATOM 2642 C VAL A 167 -15.646 -9.977 -2.698 1.00 1.47 C ATOM 2643 O VAL A 167 -15.791 -10.697 -3.685 1.00 1.75 O ATOM 2644 CB VAL A 167 -15.607 -7.447 -3.057 1.00 1.91 C ATOM 2645 CG1 VAL A 167 -14.969 -7.690 -4.432 1.00 2.37 C ATOM 2646 CG2 VAL A 167 -16.509 -6.209 -3.171 1.00 2.18 C ATOM 0 H VAL A 167 -16.519 -7.561 -0.810 1.00 1.40 H new ATOM 0 HA VAL A 167 -17.294 -8.757 -3.220 1.00 1.67 H new ATOM 0 HB VAL A 167 -14.820 -7.289 -2.320 1.00 1.91 H new ATOM 0 HG11 VAL A 167 -14.404 -6.807 -4.732 1.00 2.37 H new ATOM 0 HG12 VAL A 167 -14.299 -8.548 -4.376 1.00 2.37 H new ATOM 0 HG13 VAL A 167 -15.750 -7.888 -5.166 1.00 2.37 H new ATOM 0 HG21 VAL A 167 -15.919 -5.359 -3.513 1.00 2.18 H new ATOM 0 HG22 VAL A 167 -17.309 -6.406 -3.885 1.00 2.18 H new ATOM 0 HG23 VAL A 167 -16.940 -5.982 -2.196 1.00 2.18 H new ATOM 2656 N LYS A 168 -14.803 -10.311 -1.719 1.00 1.12 N ATOM 2657 CA LYS A 168 -14.087 -11.571 -1.691 1.00 1.06 C ATOM 2658 C LYS A 168 -15.028 -12.745 -1.477 1.00 0.93 C ATOM 2659 O LYS A 168 -14.802 -13.814 -2.047 1.00 0.98 O ATOM 2660 CB LYS A 168 -13.005 -11.547 -0.614 1.00 1.27 C ATOM 2661 CG LYS A 168 -11.777 -10.698 -0.962 1.00 1.82 C ATOM 2662 CD LYS A 168 -11.139 -11.136 -2.280 1.00 2.61 C ATOM 2663 CE LYS A 168 -11.575 -10.199 -3.421 1.00 2.60 C ATOM 2664 NZ LYS A 168 -11.225 -10.732 -4.752 1.00 3.91 N ATOM 0 H LYS A 168 -14.602 -9.706 -0.923 1.00 1.12 H new ATOM 0 HA LYS A 168 -13.612 -11.703 -2.663 1.00 1.06 H new ATOM 0 HB2 LYS A 168 -13.440 -11.170 0.312 1.00 1.27 H new ATOM 0 HB3 LYS A 168 -12.681 -12.569 -0.421 1.00 1.27 H new ATOM 0 HG2 LYS A 168 -12.067 -9.650 -1.029 1.00 1.82 H new ATOM 0 HG3 LYS A 168 -11.043 -10.775 -0.160 1.00 1.82 H new ATOM 0 HD2 LYS A 168 -10.053 -11.127 -2.187 1.00 2.61 H new ATOM 0 HD3 LYS A 168 -11.430 -12.161 -2.510 1.00 2.61 H new ATOM 0 HE2 LYS A 168 -12.652 -10.042 -3.367 1.00 2.60 H new ATOM 0 HE3 LYS A 168 -11.104 -9.225 -3.287 1.00 2.60 H new ATOM 0 HZ1 LYS A 168 -10.591 -10.066 -5.237 1.00 3.91 H new ATOM 0 HZ2 LYS A 168 -10.747 -11.649 -4.644 1.00 3.91 H new ATOM 0 HZ3 LYS A 168 -12.091 -10.857 -5.314 1.00 3.91 H new ATOM 2678 N SER A 169 -16.065 -12.546 -0.662 1.00 1.08 N ATOM 2679 CA SER A 169 -17.102 -13.531 -0.444 1.00 1.47 C ATOM 2680 C SER A 169 -17.623 -13.968 -1.813 1.00 1.65 C ATOM 2681 O SER A 169 -17.489 -15.127 -2.203 1.00 1.74 O ATOM 2682 CB SER A 169 -18.189 -13.015 0.509 1.00 2.02 C ATOM 2683 OG SER A 169 -18.419 -13.980 1.522 1.00 2.04 O ATOM 0 H SER A 169 -16.201 -11.684 -0.134 1.00 1.08 H new ATOM 0 HA SER A 169 -16.704 -14.408 0.066 1.00 1.47 H new ATOM 0 HB2 SER A 169 -17.880 -12.070 0.955 1.00 2.02 H new ATOM 0 HB3 SER A 169 -19.110 -12.822 -0.041 1.00 2.02 H new ATOM 0 HG SER A 169 -19.111 -13.653 2.134 1.00 2.04 H new ATOM 2689 N ALA A 170 -18.113 -12.983 -2.568 1.00 1.88 N ATOM 2690 CA ALA A 170 -18.543 -13.150 -3.947 1.00 2.43 C ATOM 2691 C ALA A 170 -17.430 -13.727 -4.832 1.00 2.39 C ATOM 2692 O ALA A 170 -17.702 -14.610 -5.639 1.00 2.76 O ATOM 2693 CB ALA A 170 -19.055 -11.815 -4.495 1.00 2.80 C ATOM 0 H ALA A 170 -18.222 -12.029 -2.225 1.00 1.88 H new ATOM 0 HA ALA A 170 -19.357 -13.874 -3.963 1.00 2.43 H new ATOM 0 HB1 ALA A 170 -19.376 -11.945 -5.528 1.00 2.80 H new ATOM 0 HB2 ALA A 170 -19.898 -11.474 -3.893 1.00 2.80 H new ATOM 0 HB3 ALA A 170 -18.256 -11.074 -4.454 1.00 2.80 H new ATOM 2699 N SER A 171 -16.191 -13.230 -4.704 1.00 2.12 N ATOM 2700 CA SER A 171 -15.077 -13.691 -5.530 1.00 2.34 C ATOM 2701 C SER A 171 -14.915 -15.207 -5.451 1.00 2.10 C ATOM 2702 O SER A 171 -14.953 -15.881 -6.475 1.00 2.45 O ATOM 2703 CB SER A 171 -13.738 -13.022 -5.176 1.00 2.50 C ATOM 2704 OG SER A 171 -13.748 -11.606 -5.290 1.00 2.99 O ATOM 0 H SER A 171 -15.939 -12.505 -4.032 1.00 2.12 H new ATOM 0 HA SER A 171 -15.335 -13.399 -6.548 1.00 2.34 H new ATOM 0 HB2 SER A 171 -13.469 -13.291 -4.155 1.00 2.50 H new ATOM 0 HB3 SER A 171 -12.961 -13.423 -5.827 1.00 2.50 H new ATOM 0 HG SER A 171 -14.523 -11.245 -4.811 1.00 2.99 H new ATOM 2710 N THR A 172 -14.651 -15.725 -4.247 1.00 1.73 N ATOM 2711 CA THR A 172 -14.297 -17.127 -4.044 1.00 1.71 C ATOM 2712 C THR A 172 -14.196 -17.400 -2.552 1.00 1.35 C ATOM 2713 O THR A 172 -13.343 -18.162 -2.103 1.00 1.58 O ATOM 2714 CB THR A 172 -12.991 -17.467 -4.784 1.00 2.74 C ATOM 2715 OG1 THR A 172 -12.615 -18.814 -4.580 1.00 2.97 O ATOM 2716 CG2 THR A 172 -11.813 -16.558 -4.409 1.00 4.13 C ATOM 0 H THR A 172 -14.678 -15.179 -3.386 1.00 1.73 H new ATOM 0 HA THR A 172 -15.071 -17.771 -4.460 1.00 1.71 H new ATOM 0 HB THR A 172 -13.215 -17.298 -5.837 1.00 2.74 H new ATOM 0 HG1 THR A 172 -12.755 -19.054 -3.640 1.00 2.97 H new ATOM 0 HG21 THR A 172 -10.928 -16.859 -4.970 1.00 4.13 H new ATOM 0 HG22 THR A 172 -12.061 -15.524 -4.648 1.00 4.13 H new ATOM 0 HG23 THR A 172 -11.612 -16.645 -3.341 1.00 4.13 H new