USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 845 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 90 ASN : amide:sc= 0.547 K(o=0.66,f=-4.2) USER MOD Set 1.2: A 92 LYS NZ :NH3+ -158:sc= 0.114 (180deg=-0.124) USER MOD Set 2.1: A 28 TYR OH : rot 29:sc= 0.442 USER MOD Set 2.2: A 68 HIS : no HD1:sc= -0.0324 X(o=0.76,f=0.29) USER MOD Set 2.3: A 85 GLN : amide:sc= 0.352 K(o=0.76,f=0.19) USER MOD Single : A 15 THR OG1 : rot 179:sc= 1.21 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 159:sc= -1.55 (180deg=-2.14) USER MOD Single : A 21 SER OG : rot -23:sc= 0.0307 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0677 USER MOD Single : A 38 LYS NZ :NH3+ -158:sc= 0.352 (180deg=0.19) USER MOD Single : A 41 SER OG : rot 86:sc= -0.0271 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0.682 (180deg=0.682) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -2.8! C(o=-2.8!,f=-6.5!) USER MOD Single : A 56 ASN : amide:sc= -2.91! C(o=-2.9!,f=-1.9!) USER MOD Single : A 59 THR OG1 : rot -150:sc= 0.0699 USER MOD Single : A 63 LYS NZ :NH3+ 148:sc= 0.941 (180deg=-0.945!) USER MOD Single : A 71 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0095) USER MOD Single : A 73 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.14) USER MOD Single : A 75 LYS NZ :NH3+ 167:sc= 0.438 (180deg=0.187) USER MOD Single : A 76 THR OG1 : rot -10:sc= 1.09 USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 1.03 (180deg=0.962) USER MOD Single : A 89 LYS NZ :NH3+ 170:sc= -0.0563 (180deg=-0.263) USER MOD Single : A 91 GLN : amide:sc= -0.599 X(o=-0.6,f=-0.17) USER MOD Single : A 97 GLN : amide:sc= -4.33! C(o=-4.3!,f=-9.8!) USER MOD Single : A 99 LYS NZ :NH3+ -124:sc= 0.0744 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -139:sc= 0.302 USER MOD Single : A 107 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.23) USER MOD Single : A 117 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0713) USER MOD ----------------------------------------------------------------- ATOM 120 N GLU A 10 -11.161 -5.275 3.239 1.00 0.00 N ATOM 121 CA GLU A 10 -10.661 -4.562 4.365 1.00 0.00 C ATOM 122 C GLU A 10 -9.565 -5.336 5.023 1.00 0.00 C ATOM 123 O GLU A 10 -9.588 -6.576 5.074 1.00 0.00 O ATOM 124 CB GLU A 10 -11.757 -4.221 5.374 1.00 0.00 C ATOM 125 CG GLU A 10 -12.807 -3.267 4.842 1.00 0.00 C ATOM 126 CD GLU A 10 -13.734 -2.785 5.915 1.00 0.00 C ATOM 127 OE1 GLU A 10 -13.302 -1.943 6.743 1.00 0.00 O ATOM 128 OE2 GLU A 10 -14.906 -3.197 5.941 1.00 0.00 O ATOM 0 HA GLU A 10 -10.263 -3.616 3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.245 -5.143 5.691 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.298 -3.783 6.260 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.316 -2.412 4.378 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.384 -3.764 4.063 1.00 0.00 H new ATOM 135 N ILE A 11 -8.616 -4.626 5.512 1.00 0.00 N ATOM 136 CA ILE A 11 -7.514 -5.208 6.174 1.00 0.00 C ATOM 137 C ILE A 11 -7.804 -5.183 7.650 1.00 0.00 C ATOM 138 O ILE A 11 -7.942 -4.114 8.259 1.00 0.00 O ATOM 139 CB ILE A 11 -6.219 -4.450 5.887 1.00 0.00 C ATOM 140 CG1 ILE A 11 -5.941 -4.404 4.425 1.00 0.00 C ATOM 141 CG2 ILE A 11 -5.045 -5.091 6.564 1.00 0.00 C ATOM 142 CD1 ILE A 11 -4.679 -3.647 4.084 1.00 0.00 C ATOM 0 H ILE A 11 -8.585 -3.608 5.461 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.375 -6.228 5.817 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.357 -3.441 6.274 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.860 -5.422 4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.785 -3.939 3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.141 -4.525 6.338 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.207 -5.100 7.642 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.932 -6.114 6.205 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.533 -3.650 3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.765 -2.619 4.435 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.826 -4.125 4.566 1.00 0.00 H new ATOM 154 N GLY A 12 -7.949 -6.335 8.184 1.00 0.00 N ATOM 155 CA GLY A 12 -8.233 -6.493 9.554 1.00 0.00 C ATOM 156 C GLY A 12 -7.250 -7.441 10.165 1.00 0.00 C ATOM 157 O GLY A 12 -6.395 -7.989 9.434 1.00 0.00 O ATOM 0 H GLY A 12 -7.872 -7.212 7.669 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.185 -5.528 10.059 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.247 -6.871 9.684 1.00 0.00 H new ATOM 161 N PRO A 13 -7.386 -7.727 11.470 1.00 0.00 N ATOM 162 CA PRO A 13 -6.419 -8.527 12.245 1.00 0.00 C ATOM 163 C PRO A 13 -6.197 -9.968 11.750 1.00 0.00 C ATOM 164 O PRO A 13 -5.313 -10.667 12.261 1.00 0.00 O ATOM 165 CB PRO A 13 -7.001 -8.535 13.660 1.00 0.00 C ATOM 166 CG PRO A 13 -8.438 -8.210 13.485 1.00 0.00 C ATOM 167 CD PRO A 13 -8.504 -7.275 12.321 1.00 0.00 C ATOM 0 HA PRO A 13 -5.427 -8.083 12.158 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.871 -9.507 14.135 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.505 -7.801 14.295 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.023 -9.111 13.297 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.846 -7.746 14.383 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.460 -7.343 11.802 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.382 -6.237 12.630 1.00 0.00 H new ATOM 175 N GLU A 14 -6.989 -10.427 10.801 1.00 0.00 N ATOM 176 CA GLU A 14 -6.763 -11.750 10.246 1.00 0.00 C ATOM 177 C GLU A 14 -6.585 -11.712 8.727 1.00 0.00 C ATOM 178 O GLU A 14 -6.019 -12.643 8.144 1.00 0.00 O ATOM 179 CB GLU A 14 -7.892 -12.727 10.600 1.00 0.00 C ATOM 180 CG GLU A 14 -9.244 -12.349 10.027 1.00 0.00 C ATOM 181 CD GLU A 14 -10.247 -13.455 10.141 1.00 0.00 C ATOM 182 OE1 GLU A 14 -10.230 -14.371 9.292 1.00 0.00 O ATOM 183 OE2 GLU A 14 -11.077 -13.436 11.065 1.00 0.00 O ATOM 0 H GLU A 14 -7.779 -9.918 10.404 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.838 -12.107 10.699 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.623 -13.721 10.242 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.975 -12.791 11.685 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.621 -11.467 10.545 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.127 -12.076 8.978 1.00 0.00 H new ATOM 190 N THR A 15 -7.013 -10.632 8.078 1.00 0.00 N ATOM 191 CA THR A 15 -7.023 -10.624 6.634 1.00 0.00 C ATOM 192 C THR A 15 -5.687 -10.219 6.102 1.00 0.00 C ATOM 193 O THR A 15 -5.291 -10.644 5.019 1.00 0.00 O ATOM 194 CB THR A 15 -8.134 -9.719 6.042 1.00 0.00 C ATOM 195 OG1 THR A 15 -7.926 -8.359 6.416 1.00 0.00 O ATOM 196 CG2 THR A 15 -9.481 -10.147 6.550 1.00 0.00 C ATOM 0 H THR A 15 -7.347 -9.777 8.522 1.00 0.00 H new ATOM 0 HA THR A 15 -7.245 -11.644 6.319 1.00 0.00 H new ATOM 0 HB THR A 15 -8.096 -9.813 4.957 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.628 -7.800 6.021 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.251 -9.503 6.126 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.669 -11.180 6.256 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.501 -10.070 7.637 1.00 0.00 H new ATOM 204 N TYR A 16 -4.955 -9.430 6.879 1.00 0.00 N ATOM 205 CA TYR A 16 -3.651 -8.986 6.444 1.00 0.00 C ATOM 206 C TYR A 16 -2.721 -10.183 6.250 1.00 0.00 C ATOM 207 O TYR A 16 -1.957 -10.245 5.293 1.00 0.00 O ATOM 208 CB TYR A 16 -3.034 -7.932 7.381 1.00 0.00 C ATOM 209 CG TYR A 16 -2.486 -8.430 8.707 1.00 0.00 C ATOM 210 CD1 TYR A 16 -3.318 -8.716 9.774 1.00 0.00 C ATOM 211 CD2 TYR A 16 -1.114 -8.590 8.885 1.00 0.00 C ATOM 212 CE1 TYR A 16 -2.805 -9.148 10.979 1.00 0.00 C ATOM 213 CE2 TYR A 16 -0.598 -9.024 10.084 1.00 0.00 C ATOM 214 CZ TYR A 16 -1.447 -9.302 11.127 1.00 0.00 C ATOM 215 OH TYR A 16 -0.935 -9.721 12.332 1.00 0.00 O ATOM 0 H TYR A 16 -5.242 -9.093 7.798 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.782 -8.488 5.483 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.226 -7.433 6.846 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.792 -7.177 7.589 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.386 -8.599 9.662 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.444 -8.370 8.067 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.468 -9.365 11.804 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.468 -9.145 10.204 1.00 0.00 H new ATOM 0 HH TYR A 16 0.041 -9.780 12.270 1.00 0.00 H new ATOM 225 N SER A 17 -2.874 -11.164 7.122 1.00 0.00 N ATOM 226 CA SER A 17 -2.120 -12.392 7.090 1.00 0.00 C ATOM 227 C SER A 17 -2.477 -13.210 5.847 1.00 0.00 C ATOM 228 O SER A 17 -1.656 -13.933 5.308 1.00 0.00 O ATOM 229 CB SER A 17 -2.451 -13.172 8.346 1.00 0.00 C ATOM 230 OG SER A 17 -2.207 -12.372 9.490 1.00 0.00 O ATOM 0 H SER A 17 -3.545 -11.122 7.889 1.00 0.00 H new ATOM 0 HA SER A 17 -1.052 -12.176 7.047 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.495 -13.484 8.326 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.848 -14.079 8.391 1.00 0.00 H new ATOM 0 HG SER A 17 -2.425 -12.882 10.298 1.00 0.00 H new ATOM 236 N ASP A 18 -3.684 -13.022 5.361 1.00 0.00 N ATOM 237 CA ASP A 18 -4.174 -13.762 4.202 1.00 0.00 C ATOM 238 C ASP A 18 -3.521 -13.204 2.941 1.00 0.00 C ATOM 239 O ASP A 18 -3.025 -13.958 2.064 1.00 0.00 O ATOM 240 CB ASP A 18 -5.709 -13.658 4.115 1.00 0.00 C ATOM 241 CG ASP A 18 -6.310 -14.477 2.992 1.00 0.00 C ATOM 242 OD1 ASP A 18 -6.387 -13.994 1.860 1.00 0.00 O ATOM 243 OD2 ASP A 18 -6.749 -15.621 3.241 1.00 0.00 O ATOM 0 H ASP A 18 -4.355 -12.359 5.749 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.913 -14.816 4.302 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.141 -13.983 5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.987 -12.613 3.980 1.00 0.00 H new ATOM 248 N TYR A 19 -3.375 -11.880 2.910 1.00 0.00 N ATOM 249 CA TYR A 19 -2.814 -11.221 1.758 1.00 0.00 C ATOM 250 C TYR A 19 -1.320 -11.464 1.767 1.00 0.00 C ATOM 251 O TYR A 19 -0.654 -11.510 0.735 1.00 0.00 O ATOM 252 CB TYR A 19 -3.093 -9.719 1.817 1.00 0.00 C ATOM 253 CG TYR A 19 -4.561 -9.326 1.924 1.00 0.00 C ATOM 254 CD1 TYR A 19 -5.517 -9.868 1.077 1.00 0.00 C ATOM 255 CD2 TYR A 19 -4.985 -8.417 2.882 1.00 0.00 C ATOM 256 CE1 TYR A 19 -6.843 -9.514 1.181 1.00 0.00 C ATOM 257 CE2 TYR A 19 -6.315 -8.061 2.996 1.00 0.00 C ATOM 258 CZ TYR A 19 -7.238 -8.611 2.143 1.00 0.00 C ATOM 259 OH TYR A 19 -8.568 -8.272 2.260 1.00 0.00 O ATOM 0 H TYR A 19 -3.640 -11.255 3.672 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.263 -11.615 0.846 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.561 -9.302 2.672 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.675 -9.255 0.924 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.215 -10.580 0.323 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.261 -7.979 3.552 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.572 -9.943 0.510 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.626 -7.355 3.751 1.00 0.00 H new ATOM 0 HH TYR A 19 -8.678 -7.625 2.987 1.00 0.00 H new ATOM 269 N MET A 20 -0.826 -11.682 2.958 1.00 0.00 N ATOM 270 CA MET A 20 0.565 -11.930 3.200 1.00 0.00 C ATOM 271 C MET A 20 0.900 -13.361 2.829 1.00 0.00 C ATOM 272 O MET A 20 2.023 -13.680 2.486 1.00 0.00 O ATOM 273 CB MET A 20 0.858 -11.660 4.671 1.00 0.00 C ATOM 274 CG MET A 20 2.286 -11.272 4.962 1.00 0.00 C ATOM 275 SD MET A 20 2.837 -9.934 3.880 1.00 0.00 S ATOM 276 CE MET A 20 1.405 -8.817 3.905 1.00 0.00 C ATOM 0 H MET A 20 -1.396 -11.692 3.804 1.00 0.00 H new ATOM 0 HA MET A 20 1.182 -11.272 2.589 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.200 -10.864 5.020 1.00 0.00 H new ATOM 0 HB3 MET A 20 0.612 -12.552 5.247 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.376 -10.961 6.003 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.934 -12.138 4.831 1.00 0.00 H new ATOM 0 HE1 MET A 20 1.719 -7.816 3.610 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.649 -9.179 3.209 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.986 -8.785 4.911 1.00 0.00 H new ATOM 286 N SER A 21 -0.090 -14.203 2.875 1.00 0.00 N ATOM 287 CA SER A 21 0.064 -15.576 2.505 1.00 0.00 C ATOM 288 C SER A 21 -0.198 -15.732 0.990 1.00 0.00 C ATOM 289 O SER A 21 0.074 -16.778 0.408 1.00 0.00 O ATOM 290 CB SER A 21 -0.896 -16.446 3.351 1.00 0.00 C ATOM 291 OG SER A 21 -0.691 -17.839 3.155 1.00 0.00 O ATOM 0 H SER A 21 -1.033 -13.953 3.173 1.00 0.00 H new ATOM 0 HA SER A 21 1.082 -15.912 2.703 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.761 -16.208 4.406 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.926 -16.195 3.097 1.00 0.00 H new ATOM 0 HG SER A 21 -0.265 -17.988 2.285 1.00 0.00 H new ATOM 297 N ALA A 22 -0.724 -14.671 0.347 1.00 0.00 N ATOM 298 CA ALA A 22 -0.985 -14.711 -1.089 1.00 0.00 C ATOM 299 C ALA A 22 0.317 -14.709 -1.898 1.00 0.00 C ATOM 300 O ALA A 22 0.410 -15.353 -2.952 1.00 0.00 O ATOM 301 CB ALA A 22 -1.882 -13.556 -1.505 1.00 0.00 C ATOM 0 H ALA A 22 -0.971 -13.791 0.800 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.504 -15.645 -1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.064 -13.605 -2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.831 -13.622 -0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.395 -12.611 -1.262 1.00 0.00 H new ATOM 307 N GLY A 23 1.317 -13.996 -1.403 1.00 0.00 N ATOM 308 CA GLY A 23 2.606 -13.946 -2.088 1.00 0.00 C ATOM 309 C GLY A 23 2.667 -12.839 -3.123 1.00 0.00 C ATOM 310 O GLY A 23 3.575 -12.792 -3.948 1.00 0.00 O ATOM 0 H GLY A 23 1.267 -13.450 -0.543 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.399 -13.798 -1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.794 -14.904 -2.573 1.00 0.00 H new ATOM 314 N ILE A 24 1.703 -11.964 -3.074 1.00 0.00 N ATOM 315 CA ILE A 24 1.611 -10.835 -3.977 1.00 0.00 C ATOM 316 C ILE A 24 1.488 -9.562 -3.168 1.00 0.00 C ATOM 317 O ILE A 24 0.979 -9.615 -2.055 1.00 0.00 O ATOM 318 CB ILE A 24 0.406 -10.950 -4.944 1.00 0.00 C ATOM 319 CG1 ILE A 24 -0.859 -11.413 -4.199 1.00 0.00 C ATOM 320 CG2 ILE A 24 0.732 -11.872 -6.112 1.00 0.00 C ATOM 321 CD1 ILE A 24 -2.130 -11.348 -5.012 1.00 0.00 C ATOM 0 H ILE A 24 0.942 -12.010 -2.396 1.00 0.00 H new ATOM 0 HA ILE A 24 2.516 -10.821 -4.584 1.00 0.00 H new ATOM 0 HB ILE A 24 0.203 -9.959 -5.351 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.711 -12.439 -3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.983 -10.800 -3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.130 -11.936 -6.776 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.585 -11.475 -6.662 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.974 -12.866 -5.735 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.968 -11.693 -4.406 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.309 -10.320 -5.326 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.032 -11.984 -5.892 1.00 0.00 H new ATOM 333 N PRO A 25 1.959 -8.422 -3.709 1.00 0.00 N ATOM 334 CA PRO A 25 1.950 -7.115 -3.022 1.00 0.00 C ATOM 335 C PRO A 25 0.584 -6.732 -2.419 1.00 0.00 C ATOM 336 O PRO A 25 -0.480 -6.997 -2.994 1.00 0.00 O ATOM 337 CB PRO A 25 2.353 -6.112 -4.119 1.00 0.00 C ATOM 338 CG PRO A 25 2.315 -6.883 -5.402 1.00 0.00 C ATOM 339 CD PRO A 25 2.553 -8.310 -5.046 1.00 0.00 C ATOM 0 HA PRO A 25 2.624 -7.131 -2.165 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.666 -5.267 -4.149 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.348 -5.707 -3.934 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.352 -6.763 -5.898 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.077 -6.523 -6.093 1.00 0.00 H new ATOM 0 HD2 PRO A 25 2.079 -8.987 -5.756 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.616 -8.551 -5.037 1.00 0.00 H new ATOM 347 N LEU A 26 0.621 -6.129 -1.263 1.00 0.00 N ATOM 348 CA LEU A 26 -0.560 -5.742 -0.553 1.00 0.00 C ATOM 349 C LEU A 26 -0.644 -4.232 -0.578 1.00 0.00 C ATOM 350 O LEU A 26 0.270 -3.549 -0.162 1.00 0.00 O ATOM 351 CB LEU A 26 -0.447 -6.214 0.896 1.00 0.00 C ATOM 352 CG LEU A 26 -1.751 -6.433 1.724 1.00 0.00 C ATOM 353 CD1 LEU A 26 -1.426 -6.911 3.117 1.00 0.00 C ATOM 354 CD2 LEU A 26 -2.602 -5.193 1.805 1.00 0.00 C ATOM 0 H LEU A 26 1.488 -5.890 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.446 -6.182 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.103 -7.155 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.165 -5.488 1.432 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.324 -7.196 1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.350 -7.057 3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.883 -7.854 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.810 -6.167 3.622 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.496 -5.403 2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.035 -4.393 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.892 -4.885 0.801 1.00 0.00 H new ATOM 366 N ALA A 27 -1.717 -3.738 -1.039 1.00 0.00 N ATOM 367 CA ALA A 27 -1.955 -2.335 -1.074 1.00 0.00 C ATOM 368 C ALA A 27 -2.721 -1.929 0.174 1.00 0.00 C ATOM 369 O ALA A 27 -3.915 -2.225 0.314 1.00 0.00 O ATOM 370 CB ALA A 27 -2.714 -1.965 -2.320 1.00 0.00 C ATOM 0 H ALA A 27 -2.481 -4.299 -1.415 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.005 -1.801 -1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.889 -0.889 -2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.133 -2.249 -3.198 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.670 -2.488 -2.332 1.00 0.00 H new ATOM 376 N TYR A 28 -2.022 -1.303 1.075 1.00 0.00 N ATOM 377 CA TYR A 28 -2.561 -0.859 2.328 1.00 0.00 C ATOM 378 C TYR A 28 -3.139 0.484 2.162 1.00 0.00 C ATOM 379 O TYR A 28 -2.418 1.457 1.947 1.00 0.00 O ATOM 380 CB TYR A 28 -1.485 -0.756 3.393 1.00 0.00 C ATOM 381 CG TYR A 28 -1.052 -2.041 4.036 1.00 0.00 C ATOM 382 CD1 TYR A 28 -0.110 -2.853 3.446 1.00 0.00 C ATOM 383 CD2 TYR A 28 -1.573 -2.426 5.263 1.00 0.00 C ATOM 384 CE1 TYR A 28 0.303 -4.014 4.059 1.00 0.00 C ATOM 385 CE2 TYR A 28 -1.167 -3.590 5.877 1.00 0.00 C ATOM 386 CZ TYR A 28 -0.224 -4.378 5.268 1.00 0.00 C ATOM 387 OH TYR A 28 0.203 -5.536 5.875 1.00 0.00 O ATOM 0 H TYR A 28 -1.034 -1.081 0.956 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.312 -1.587 2.637 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.608 -0.285 2.948 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.843 -0.087 4.176 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.310 -2.576 2.490 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.310 -1.801 5.745 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.045 -4.639 3.585 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.587 -3.880 6.829 1.00 0.00 H new ATOM 0 HH TYR A 28 1.128 -5.723 5.610 1.00 0.00 H new ATOM 397 N ILE A 29 -4.394 0.562 2.237 1.00 0.00 N ATOM 398 CA ILE A 29 -5.031 1.807 2.118 1.00 0.00 C ATOM 399 C ILE A 29 -5.377 2.296 3.499 1.00 0.00 C ATOM 400 O ILE A 29 -6.450 2.009 4.015 1.00 0.00 O ATOM 401 CB ILE A 29 -6.293 1.689 1.281 1.00 0.00 C ATOM 402 CG1 ILE A 29 -5.958 0.972 -0.031 1.00 0.00 C ATOM 403 CG2 ILE A 29 -6.848 3.083 1.024 1.00 0.00 C ATOM 404 CD1 ILE A 29 -7.061 0.084 -0.547 1.00 0.00 C ATOM 0 H ILE A 29 -5.018 -0.232 2.383 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.363 2.511 1.622 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.051 1.107 1.806 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -5.722 1.718 -0.790 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.061 0.371 0.115 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.755 3.009 0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.081 3.563 1.975 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.107 3.677 0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.744 -0.386 -1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.283 -0.687 0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.955 0.681 -0.728 1.00 0.00 H new ATOM 416 N PHE A 30 -4.432 2.936 4.122 1.00 0.00 N ATOM 417 CA PHE A 30 -4.627 3.489 5.435 1.00 0.00 C ATOM 418 C PHE A 30 -5.397 4.734 5.321 1.00 0.00 C ATOM 419 O PHE A 30 -4.900 5.712 4.862 1.00 0.00 O ATOM 420 CB PHE A 30 -3.316 3.859 6.040 1.00 0.00 C ATOM 421 CG PHE A 30 -2.500 2.762 6.634 1.00 0.00 C ATOM 422 CD1 PHE A 30 -1.825 1.854 5.854 1.00 0.00 C ATOM 423 CD2 PHE A 30 -2.416 2.654 7.997 1.00 0.00 C ATOM 424 CE1 PHE A 30 -1.089 0.845 6.438 1.00 0.00 C ATOM 425 CE2 PHE A 30 -1.693 1.672 8.586 1.00 0.00 C ATOM 426 CZ PHE A 30 -1.026 0.751 7.805 1.00 0.00 C ATOM 0 H PHE A 30 -3.501 3.091 3.735 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.140 2.746 6.046 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.716 4.347 5.272 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.501 4.600 6.818 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.871 1.931 4.778 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.938 3.368 8.616 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.564 0.131 5.821 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.639 1.610 9.663 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.456 -0.041 8.268 1.00 0.00 H new ATOM 436 N ALA A 31 -6.560 4.715 5.746 1.00 0.00 N ATOM 437 CA ALA A 31 -7.353 5.910 5.709 1.00 0.00 C ATOM 438 C ALA A 31 -7.859 6.245 7.061 1.00 0.00 C ATOM 439 O ALA A 31 -8.519 5.442 7.716 1.00 0.00 O ATOM 440 CB ALA A 31 -8.451 5.912 4.627 1.00 0.00 C ATOM 0 H ALA A 31 -7.025 3.895 6.136 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.688 6.714 5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.002 6.852 4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.993 5.804 3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.135 5.082 4.802 1.00 0.00 H new ATOM 446 N GLU A 32 -7.474 7.406 7.514 1.00 0.00 N ATOM 447 CA GLU A 32 -7.864 7.896 8.819 1.00 0.00 C ATOM 448 C GLU A 32 -9.305 8.318 8.737 1.00 0.00 C ATOM 449 O GLU A 32 -10.057 8.246 9.699 1.00 0.00 O ATOM 450 CB GLU A 32 -6.978 9.103 9.173 1.00 0.00 C ATOM 451 CG GLU A 32 -6.859 9.449 10.663 1.00 0.00 C ATOM 452 CD GLU A 32 -8.063 10.163 11.233 1.00 0.00 C ATOM 453 OE1 GLU A 32 -8.265 11.338 10.906 1.00 0.00 O ATOM 454 OE2 GLU A 32 -8.791 9.591 12.050 1.00 0.00 O ATOM 0 H GLU A 32 -6.878 8.047 6.990 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.745 7.130 9.585 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.977 8.917 8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.366 9.977 8.649 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.696 8.530 11.226 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.978 10.073 10.810 1.00 0.00 H new ATOM 461 N THR A 33 -9.690 8.686 7.561 1.00 0.00 N ATOM 462 CA THR A 33 -10.963 9.242 7.362 1.00 0.00 C ATOM 463 C THR A 33 -12.009 8.193 6.963 1.00 0.00 C ATOM 464 O THR A 33 -12.027 7.689 5.839 1.00 0.00 O ATOM 465 CB THR A 33 -10.831 10.382 6.374 1.00 0.00 C ATOM 466 OG1 THR A 33 -9.985 9.956 5.273 1.00 0.00 O ATOM 467 CG2 THR A 33 -10.171 11.554 7.063 1.00 0.00 C ATOM 0 H THR A 33 -9.122 8.605 6.718 1.00 0.00 H new ATOM 0 HA THR A 33 -11.344 9.641 8.302 1.00 0.00 H new ATOM 0 HB THR A 33 -11.816 10.668 6.004 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.895 10.688 4.627 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.071 12.381 6.360 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.781 11.869 7.909 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.184 11.259 7.418 1.00 0.00 H new ATOM 475 N ALA A 34 -12.881 7.878 7.906 1.00 0.00 N ATOM 476 CA ALA A 34 -13.881 6.837 7.740 1.00 0.00 C ATOM 477 C ALA A 34 -15.049 7.336 6.914 1.00 0.00 C ATOM 478 O ALA A 34 -15.793 6.552 6.299 1.00 0.00 O ATOM 479 CB ALA A 34 -14.363 6.360 9.099 1.00 0.00 C ATOM 0 H ALA A 34 -12.915 8.341 8.814 1.00 0.00 H new ATOM 0 HA ALA A 34 -13.424 6.001 7.210 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -15.112 5.580 8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.521 5.961 9.664 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -14.802 7.196 9.643 1.00 0.00 H new ATOM 485 N GLU A 35 -15.200 8.624 6.864 1.00 0.00 N ATOM 486 CA GLU A 35 -16.281 9.201 6.135 1.00 0.00 C ATOM 487 C GLU A 35 -15.974 9.248 4.655 1.00 0.00 C ATOM 488 O GLU A 35 -16.772 8.801 3.837 1.00 0.00 O ATOM 489 CB GLU A 35 -16.648 10.576 6.680 1.00 0.00 C ATOM 490 CG GLU A 35 -17.131 10.546 8.123 1.00 0.00 C ATOM 491 CD GLU A 35 -18.210 9.511 8.345 1.00 0.00 C ATOM 492 OE1 GLU A 35 -19.383 9.746 7.968 1.00 0.00 O ATOM 493 OE2 GLU A 35 -17.910 8.435 8.876 1.00 0.00 O ATOM 0 H GLU A 35 -14.584 9.296 7.322 1.00 0.00 H new ATOM 0 HA GLU A 35 -17.153 8.561 6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -15.779 11.230 6.609 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -17.426 11.011 6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -16.288 10.336 8.782 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -17.512 11.530 8.397 1.00 0.00 H new ATOM 500 N GLU A 36 -14.809 9.732 4.295 1.00 0.00 N ATOM 501 CA GLU A 36 -14.480 9.831 2.886 1.00 0.00 C ATOM 502 C GLU A 36 -13.783 8.578 2.369 1.00 0.00 C ATOM 503 O GLU A 36 -13.476 8.488 1.183 1.00 0.00 O ATOM 504 CB GLU A 36 -13.688 11.095 2.566 1.00 0.00 C ATOM 505 CG GLU A 36 -12.372 11.189 3.277 1.00 0.00 C ATOM 506 CD GLU A 36 -11.668 12.480 3.011 1.00 0.00 C ATOM 507 OE1 GLU A 36 -11.907 13.451 3.749 1.00 0.00 O ATOM 508 OE2 GLU A 36 -10.842 12.556 2.082 1.00 0.00 O ATOM 0 H GLU A 36 -14.086 10.057 4.937 1.00 0.00 H new ATOM 0 HA GLU A 36 -15.427 9.909 2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.512 11.138 1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -14.292 11.965 2.825 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.534 11.082 4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.735 10.361 2.966 1.00 0.00 H new ATOM 515 N ARG A 37 -13.594 7.569 3.252 1.00 0.00 N ATOM 516 CA ARG A 37 -12.978 6.285 2.840 1.00 0.00 C ATOM 517 C ARG A 37 -13.834 5.647 1.759 1.00 0.00 C ATOM 518 O ARG A 37 -13.347 4.853 0.970 1.00 0.00 O ATOM 519 CB ARG A 37 -12.868 5.260 4.002 1.00 0.00 C ATOM 520 CG ARG A 37 -14.211 4.653 4.392 1.00 0.00 C ATOM 521 CD ARG A 37 -14.118 3.537 5.404 1.00 0.00 C ATOM 522 NE ARG A 37 -13.331 2.367 4.953 1.00 0.00 N ATOM 523 CZ ARG A 37 -13.327 1.176 5.598 1.00 0.00 C ATOM 524 NH1 ARG A 37 -14.046 1.006 6.699 1.00 0.00 N ATOM 525 NH2 ARG A 37 -12.617 0.157 5.146 1.00 0.00 N ATOM 0 H ARG A 37 -13.854 7.616 4.237 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.973 6.522 2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.186 4.461 3.711 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.431 5.751 4.872 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.849 5.440 4.794 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.700 4.274 3.494 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.673 3.928 6.319 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.126 3.207 5.656 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.762 2.463 4.112 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.607 1.775 7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.038 0.106 7.179 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.060 0.260 4.298 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.626 -0.732 5.645 1.00 0.00 H new ATOM 539 N LYS A 38 -15.122 6.018 1.752 1.00 0.00 N ATOM 540 CA LYS A 38 -16.085 5.477 0.834 1.00 0.00 C ATOM 541 C LYS A 38 -15.611 5.757 -0.598 1.00 0.00 C ATOM 542 O LYS A 38 -15.360 4.838 -1.387 1.00 0.00 O ATOM 543 CB LYS A 38 -17.457 6.148 1.020 1.00 0.00 C ATOM 544 CG LYS A 38 -18.026 6.184 2.438 1.00 0.00 C ATOM 545 CD LYS A 38 -18.177 4.814 3.065 1.00 0.00 C ATOM 546 CE LYS A 38 -19.042 4.878 4.328 1.00 0.00 C ATOM 547 NZ LYS A 38 -18.531 5.828 5.362 1.00 0.00 N ATOM 0 H LYS A 38 -15.509 6.708 2.395 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.179 4.407 1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -17.384 7.174 0.658 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.175 5.635 0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.375 6.792 3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.999 6.675 2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.627 4.129 2.346 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.194 4.414 3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.055 5.170 4.049 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.106 3.881 4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.912 5.565 6.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.492 5.787 5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.833 6.795 5.125 1.00 0.00 H new ATOM 561 N GLU A 39 -15.419 7.048 -0.893 1.00 0.00 N ATOM 562 CA GLU A 39 -15.009 7.479 -2.211 1.00 0.00 C ATOM 563 C GLU A 39 -13.537 7.219 -2.437 1.00 0.00 C ATOM 564 O GLU A 39 -13.107 7.041 -3.570 1.00 0.00 O ATOM 565 CB GLU A 39 -15.343 8.947 -2.472 1.00 0.00 C ATOM 566 CG GLU A 39 -14.694 9.938 -1.525 1.00 0.00 C ATOM 567 CD GLU A 39 -15.009 11.348 -1.914 1.00 0.00 C ATOM 568 OE1 GLU A 39 -16.195 11.730 -1.857 1.00 0.00 O ATOM 569 OE2 GLU A 39 -14.092 12.093 -2.328 1.00 0.00 O ATOM 0 H GLU A 39 -15.545 7.808 -0.224 1.00 0.00 H new ATOM 0 HA GLU A 39 -15.579 6.886 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.045 9.195 -3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -16.424 9.072 -2.417 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.040 9.753 -0.508 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -13.614 9.791 -1.526 1.00 0.00 H new ATOM 576 N LEU A 40 -12.774 7.173 -1.354 1.00 0.00 N ATOM 577 CA LEU A 40 -11.370 6.881 -1.414 1.00 0.00 C ATOM 578 C LEU A 40 -11.240 5.461 -2.042 1.00 0.00 C ATOM 579 O LEU A 40 -10.627 5.269 -3.111 1.00 0.00 O ATOM 580 CB LEU A 40 -10.829 6.967 0.055 1.00 0.00 C ATOM 581 CG LEU A 40 -9.341 7.291 0.300 1.00 0.00 C ATOM 582 CD1 LEU A 40 -8.452 6.164 -0.159 1.00 0.00 C ATOM 583 CD2 LEU A 40 -8.977 8.585 -0.415 1.00 0.00 C ATOM 0 H LEU A 40 -13.124 7.340 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.788 7.572 -2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.417 7.722 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.039 6.012 0.536 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.185 7.415 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.410 6.424 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.703 5.256 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.599 5.996 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.925 8.813 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.152 8.471 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.593 9.398 -0.031 1.00 0.00 H new ATOM 595 N SER A 41 -11.988 4.529 -1.474 1.00 0.00 N ATOM 596 CA SER A 41 -11.978 3.145 -1.912 1.00 0.00 C ATOM 597 C SER A 41 -12.747 2.987 -3.227 1.00 0.00 C ATOM 598 O SER A 41 -12.579 2.017 -3.948 1.00 0.00 O ATOM 599 CB SER A 41 -12.599 2.266 -0.842 1.00 0.00 C ATOM 600 OG SER A 41 -12.042 2.562 0.429 1.00 0.00 O ATOM 0 H SER A 41 -12.620 4.712 -0.695 1.00 0.00 H new ATOM 0 HA SER A 41 -10.945 2.840 -2.079 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.678 2.420 -0.818 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.432 1.216 -1.083 1.00 0.00 H new ATOM 0 HG SER A 41 -12.528 3.312 0.832 1.00 0.00 H new ATOM 606 N ASP A 42 -13.582 3.950 -3.520 1.00 0.00 N ATOM 607 CA ASP A 42 -14.379 3.959 -4.739 1.00 0.00 C ATOM 608 C ASP A 42 -13.506 4.136 -5.946 1.00 0.00 C ATOM 609 O ASP A 42 -13.685 3.467 -6.930 1.00 0.00 O ATOM 610 CB ASP A 42 -15.356 5.075 -4.670 1.00 0.00 C ATOM 611 CG ASP A 42 -16.357 5.097 -5.813 1.00 0.00 C ATOM 612 OD1 ASP A 42 -16.055 5.663 -6.883 1.00 0.00 O ATOM 613 OD2 ASP A 42 -17.474 4.573 -5.636 1.00 0.00 O ATOM 0 H ASP A 42 -13.736 4.761 -2.920 1.00 0.00 H new ATOM 0 HA ASP A 42 -14.899 3.005 -4.826 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -15.899 5.010 -3.727 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -14.812 6.019 -4.660 1.00 0.00 H new ATOM 618 N LYS A 43 -12.549 5.046 -5.855 1.00 0.00 N ATOM 619 CA LYS A 43 -11.590 5.246 -6.940 1.00 0.00 C ATOM 620 C LYS A 43 -10.663 4.035 -6.995 1.00 0.00 C ATOM 621 O LYS A 43 -10.254 3.526 -8.094 1.00 0.00 O ATOM 622 CB LYS A 43 -10.766 6.548 -6.747 1.00 0.00 C ATOM 623 CG LYS A 43 -11.371 7.891 -7.290 1.00 0.00 C ATOM 624 CD LYS A 43 -12.479 8.542 -6.443 1.00 0.00 C ATOM 625 CE LYS A 43 -13.793 7.788 -6.472 1.00 0.00 C ATOM 626 NZ LYS A 43 -14.370 7.651 -7.819 1.00 0.00 N ATOM 0 H LYS A 43 -12.412 5.656 -5.049 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.135 5.350 -7.878 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.583 6.672 -5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.796 6.403 -7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.559 8.610 -7.399 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.770 7.706 -8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.137 8.618 -5.411 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.646 9.558 -6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.641 6.795 -6.050 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.510 8.301 -5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.266 7.126 -7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.547 8.595 -8.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.705 7.136 -8.431 1.00 0.00 H new ATOM 640 N LEU A 44 -10.405 3.508 -5.818 1.00 0.00 N ATOM 641 CA LEU A 44 -9.560 2.378 -5.669 1.00 0.00 C ATOM 642 C LEU A 44 -10.202 1.124 -6.215 1.00 0.00 C ATOM 643 O LEU A 44 -9.523 0.172 -6.534 1.00 0.00 O ATOM 644 CB LEU A 44 -9.290 2.195 -4.227 1.00 0.00 C ATOM 645 CG LEU A 44 -8.493 3.291 -3.532 1.00 0.00 C ATOM 646 CD1 LEU A 44 -8.201 2.903 -2.115 1.00 0.00 C ATOM 647 CD2 LEU A 44 -7.208 3.606 -4.273 1.00 0.00 C ATOM 0 H LEU A 44 -10.785 3.865 -4.941 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.640 2.551 -6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.246 2.092 -3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.756 1.253 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.102 4.195 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.631 3.696 -1.631 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.138 2.751 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.622 1.980 -2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.668 4.392 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.588 2.711 -4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.443 3.941 -5.283 1.00 0.00 H new ATOM 659 N LYS A 45 -11.507 1.145 -6.339 1.00 0.00 N ATOM 660 CA LYS A 45 -12.255 -0.005 -6.807 1.00 0.00 C ATOM 661 C LYS A 45 -11.860 -0.400 -8.239 1.00 0.00 C ATOM 662 O LYS A 45 -11.432 -1.517 -8.449 1.00 0.00 O ATOM 663 CB LYS A 45 -13.785 0.191 -6.644 1.00 0.00 C ATOM 664 CG LYS A 45 -14.643 -0.896 -7.294 1.00 0.00 C ATOM 665 CD LYS A 45 -14.513 -2.252 -6.611 1.00 0.00 C ATOM 666 CE LYS A 45 -15.091 -2.230 -5.210 1.00 0.00 C ATOM 667 NZ LYS A 45 -15.085 -3.560 -4.603 1.00 0.00 N ATOM 0 H LYS A 45 -12.083 1.957 -6.119 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.984 -0.846 -6.168 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.021 0.233 -5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.061 1.156 -7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.688 -0.585 -7.275 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.359 -0.996 -8.342 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.025 -3.009 -7.204 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.462 -2.538 -6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.515 -1.544 -4.589 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.112 -1.849 -5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.487 -3.506 -3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.655 -4.209 -5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.108 -3.912 -4.549 1.00 0.00 H new ATOM 681 N PRO A 46 -11.968 0.503 -9.235 1.00 0.00 N ATOM 682 CA PRO A 46 -11.585 0.211 -10.621 1.00 0.00 C ATOM 683 C PRO A 46 -10.112 0.009 -10.720 1.00 0.00 C ATOM 684 O PRO A 46 -9.648 -0.921 -11.435 1.00 0.00 O ATOM 685 CB PRO A 46 -11.959 1.484 -11.326 1.00 0.00 C ATOM 686 CG PRO A 46 -13.039 1.982 -10.492 1.00 0.00 C ATOM 687 CD PRO A 46 -12.492 1.858 -9.152 1.00 0.00 C ATOM 0 HA PRO A 46 -12.056 -0.686 -11.024 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.125 2.184 -11.375 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -12.284 1.303 -12.351 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.292 3.015 -10.732 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.949 1.394 -10.614 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.717 2.596 -8.945 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -13.251 1.968 -8.377 1.00 0.00 H new ATOM 695 N ILE A 47 -9.344 0.847 -9.959 1.00 0.00 N ATOM 696 CA ILE A 47 -7.897 0.693 -9.930 1.00 0.00 C ATOM 697 C ILE A 47 -7.556 -0.740 -9.589 1.00 0.00 C ATOM 698 O ILE A 47 -6.738 -1.360 -10.241 1.00 0.00 O ATOM 699 CB ILE A 47 -7.238 1.615 -8.878 1.00 0.00 C ATOM 700 CG1 ILE A 47 -7.442 3.070 -9.244 1.00 0.00 C ATOM 701 CG2 ILE A 47 -5.738 1.312 -8.732 1.00 0.00 C ATOM 702 CD1 ILE A 47 -6.962 4.007 -8.179 1.00 0.00 C ATOM 0 H ILE A 47 -9.709 1.605 -9.383 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.517 0.966 -10.914 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.719 1.421 -7.919 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.916 3.284 -10.174 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.501 3.249 -9.429 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.304 1.977 -7.985 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.605 0.277 -8.418 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.241 1.467 -9.689 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.133 5.036 -8.495 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.507 3.816 -7.254 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.896 3.852 -8.011 1.00 0.00 H new ATOM 714 N ALA A 48 -8.302 -1.290 -8.667 1.00 0.00 N ATOM 715 CA ALA A 48 -7.990 -2.602 -8.147 1.00 0.00 C ATOM 716 C ALA A 48 -8.737 -3.666 -8.864 1.00 0.00 C ATOM 717 O ALA A 48 -8.427 -4.794 -8.731 1.00 0.00 O ATOM 718 CB ALA A 48 -8.272 -2.680 -6.681 1.00 0.00 C ATOM 0 H ALA A 48 -9.129 -0.854 -8.259 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.924 -2.765 -8.309 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.028 -3.678 -6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.666 -1.943 -6.154 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.328 -2.476 -6.502 1.00 0.00 H new ATOM 724 N GLU A 49 -9.725 -3.305 -9.619 1.00 0.00 N ATOM 725 CA GLU A 49 -10.441 -4.227 -10.403 1.00 0.00 C ATOM 726 C GLU A 49 -9.537 -4.652 -11.553 1.00 0.00 C ATOM 727 O GLU A 49 -9.678 -5.736 -12.121 1.00 0.00 O ATOM 728 CB GLU A 49 -11.663 -3.530 -10.927 1.00 0.00 C ATOM 729 CG GLU A 49 -12.787 -4.447 -11.189 1.00 0.00 C ATOM 730 CD GLU A 49 -14.009 -3.740 -11.708 1.00 0.00 C ATOM 731 OE1 GLU A 49 -14.018 -3.347 -12.882 1.00 0.00 O ATOM 732 OE2 GLU A 49 -15.001 -3.587 -10.952 1.00 0.00 O ATOM 0 H GLU A 49 -10.053 -2.343 -9.701 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.742 -5.105 -9.832 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.979 -2.775 -10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.408 -3.006 -11.848 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.474 -5.200 -11.912 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.041 -4.974 -10.270 1.00 0.00 H new ATOM 739 N ALA A 50 -8.567 -3.800 -11.845 1.00 0.00 N ATOM 740 CA ALA A 50 -7.614 -4.047 -12.886 1.00 0.00 C ATOM 741 C ALA A 50 -6.491 -4.944 -12.362 1.00 0.00 C ATOM 742 O ALA A 50 -5.839 -5.670 -13.112 1.00 0.00 O ATOM 743 CB ALA A 50 -7.050 -2.721 -13.325 1.00 0.00 C ATOM 0 H ALA A 50 -8.428 -2.915 -11.356 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.093 -4.551 -13.726 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.320 -2.881 -14.119 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.856 -2.087 -13.695 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.565 -2.234 -12.479 1.00 0.00 H new ATOM 749 N GLN A 51 -6.321 -4.919 -11.068 1.00 0.00 N ATOM 750 CA GLN A 51 -5.248 -5.605 -10.398 1.00 0.00 C ATOM 751 C GLN A 51 -5.734 -6.430 -9.229 1.00 0.00 C ATOM 752 O GLN A 51 -5.010 -6.711 -8.284 1.00 0.00 O ATOM 753 CB GLN A 51 -4.193 -4.609 -10.022 1.00 0.00 C ATOM 754 CG GLN A 51 -4.656 -3.313 -9.509 1.00 0.00 C ATOM 755 CD GLN A 51 -3.494 -2.452 -9.256 1.00 0.00 C ATOM 756 OE1 GLN A 51 -2.998 -2.357 -8.161 1.00 0.00 O ATOM 757 NE2 GLN A 51 -2.974 -1.912 -10.303 1.00 0.00 N ATOM 0 H GLN A 51 -6.938 -4.410 -10.435 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.805 -6.331 -11.080 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.551 -5.063 -9.267 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.572 -4.425 -10.899 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.324 -2.841 -10.229 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.226 -3.454 -8.591 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.428 -2.018 -11.210 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.108 -1.378 -10.225 1.00 0.00 H new ATOM 766 N ARG A 52 -6.913 -6.957 -9.421 1.00 0.00 N ATOM 767 CA ARG A 52 -7.674 -7.687 -8.433 1.00 0.00 C ATOM 768 C ARG A 52 -7.098 -9.058 -8.181 1.00 0.00 C ATOM 769 O ARG A 52 -7.412 -9.696 -7.191 1.00 0.00 O ATOM 770 CB ARG A 52 -9.126 -7.786 -8.916 1.00 0.00 C ATOM 771 CG ARG A 52 -9.310 -8.567 -10.209 1.00 0.00 C ATOM 772 CD ARG A 52 -10.746 -8.530 -10.673 1.00 0.00 C ATOM 773 NE ARG A 52 -10.936 -9.287 -11.912 1.00 0.00 N ATOM 774 CZ ARG A 52 -11.947 -9.136 -12.784 1.00 0.00 C ATOM 775 NH1 ARG A 52 -12.891 -8.209 -12.587 1.00 0.00 N ATOM 776 NH2 ARG A 52 -12.007 -9.916 -13.855 1.00 0.00 N ATOM 0 H ARG A 52 -7.397 -6.887 -10.316 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.630 -7.153 -7.484 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.724 -8.255 -8.135 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.518 -6.779 -9.056 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.665 -8.151 -10.983 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.001 -9.601 -10.059 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.390 -8.939 -9.895 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.051 -7.495 -10.829 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.236 -9.995 -12.134 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.849 -7.605 -11.766 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.653 -8.106 -13.258 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.289 -10.624 -14.011 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.771 -9.808 -14.522 1.00 0.00 H new ATOM 790 N GLY A 53 -6.296 -9.513 -9.103 1.00 0.00 N ATOM 791 CA GLY A 53 -5.651 -10.783 -8.946 1.00 0.00 C ATOM 792 C GLY A 53 -4.160 -10.651 -8.748 1.00 0.00 C ATOM 793 O GLY A 53 -3.451 -11.653 -8.661 1.00 0.00 O ATOM 0 H GLY A 53 -6.075 -9.023 -9.970 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.083 -11.304 -8.092 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.845 -11.397 -9.825 1.00 0.00 H new ATOM 797 N VAL A 54 -3.669 -9.427 -8.655 1.00 0.00 N ATOM 798 CA VAL A 54 -2.232 -9.226 -8.526 1.00 0.00 C ATOM 799 C VAL A 54 -1.869 -8.410 -7.286 1.00 0.00 C ATOM 800 O VAL A 54 -0.830 -8.640 -6.679 1.00 0.00 O ATOM 801 CB VAL A 54 -1.582 -8.629 -9.826 1.00 0.00 C ATOM 802 CG1 VAL A 54 -2.096 -7.244 -10.144 1.00 0.00 C ATOM 803 CG2 VAL A 54 -0.058 -8.639 -9.752 1.00 0.00 C ATOM 0 H VAL A 54 -4.227 -8.574 -8.666 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.803 -10.219 -8.392 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.884 -9.282 -10.645 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.616 -6.877 -11.051 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.175 -7.282 -10.295 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.869 -6.573 -9.316 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.354 -8.218 -10.669 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.269 -8.042 -8.901 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.294 -9.664 -9.633 1.00 0.00 H new ATOM 813 N ILE A 55 -2.705 -7.474 -6.899 1.00 0.00 N ATOM 814 CA ILE A 55 -2.422 -6.695 -5.709 1.00 0.00 C ATOM 815 C ILE A 55 -3.585 -6.791 -4.735 1.00 0.00 C ATOM 816 O ILE A 55 -4.747 -6.738 -5.137 1.00 0.00 O ATOM 817 CB ILE A 55 -2.071 -5.204 -6.041 1.00 0.00 C ATOM 818 CG1 ILE A 55 -0.780 -5.135 -6.860 1.00 0.00 C ATOM 819 CG2 ILE A 55 -1.880 -4.407 -4.762 1.00 0.00 C ATOM 820 CD1 ILE A 55 -0.435 -3.748 -7.372 1.00 0.00 C ATOM 0 H ILE A 55 -3.572 -7.234 -7.379 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.535 -7.118 -5.237 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.896 -4.782 -6.615 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.045 -5.498 -6.247 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.867 -5.812 -7.710 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.637 -3.374 -5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.799 -4.433 -4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.067 -4.842 -4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.494 -3.791 -7.941 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.238 -3.387 -8.014 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.312 -3.069 -6.528 1.00 0.00 H new ATOM 832 N ASN A 56 -3.274 -6.964 -3.463 1.00 0.00 N ATOM 833 CA ASN A 56 -4.291 -7.110 -2.452 1.00 0.00 C ATOM 834 C ASN A 56 -4.744 -5.745 -1.998 1.00 0.00 C ATOM 835 O ASN A 56 -4.030 -5.077 -1.277 1.00 0.00 O ATOM 836 CB ASN A 56 -3.760 -7.849 -1.225 1.00 0.00 C ATOM 837 CG ASN A 56 -3.080 -9.174 -1.507 1.00 0.00 C ATOM 838 OD1 ASN A 56 -3.712 -10.218 -1.551 1.00 0.00 O ATOM 839 ND2 ASN A 56 -1.782 -9.147 -1.646 1.00 0.00 N ATOM 0 H ASN A 56 -2.318 -7.006 -3.110 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.111 -7.679 -2.891 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.053 -7.200 -0.709 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.590 -8.024 -0.540 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.267 -10.015 -1.796 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.283 -8.258 -1.604 1.00 0.00 H new ATOM 846 N PHE A 57 -5.889 -5.325 -2.418 1.00 0.00 N ATOM 847 CA PHE A 57 -6.405 -4.034 -2.031 1.00 0.00 C ATOM 848 C PHE A 57 -7.227 -4.095 -0.781 1.00 0.00 C ATOM 849 O PHE A 57 -8.379 -4.509 -0.791 1.00 0.00 O ATOM 850 CB PHE A 57 -7.168 -3.371 -3.146 1.00 0.00 C ATOM 851 CG PHE A 57 -6.342 -2.454 -3.962 1.00 0.00 C ATOM 852 CD1 PHE A 57 -5.350 -2.935 -4.781 1.00 0.00 C ATOM 853 CD2 PHE A 57 -6.566 -1.104 -3.905 1.00 0.00 C ATOM 854 CE1 PHE A 57 -4.589 -2.072 -5.538 1.00 0.00 C ATOM 855 CE2 PHE A 57 -5.815 -0.229 -4.656 1.00 0.00 C ATOM 856 CZ PHE A 57 -4.822 -0.714 -5.476 1.00 0.00 C ATOM 0 H PHE A 57 -6.500 -5.857 -3.038 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.533 -3.417 -1.814 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.591 -4.139 -3.793 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.004 -2.815 -2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.165 -3.998 -4.832 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.344 -0.721 -3.261 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.811 -2.458 -6.179 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -6.004 0.833 -4.602 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.228 -0.034 -6.068 1.00 0.00 H new ATOM 866 N GLY A 58 -6.633 -3.679 0.280 1.00 0.00 N ATOM 867 CA GLY A 58 -7.274 -3.678 1.541 1.00 0.00 C ATOM 868 C GLY A 58 -7.279 -2.319 2.180 1.00 0.00 C ATOM 869 O GLY A 58 -6.255 -1.632 2.236 1.00 0.00 O ATOM 0 H GLY A 58 -5.676 -3.326 0.294 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.301 -4.025 1.424 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.772 -4.385 2.201 1.00 0.00 H new ATOM 873 N THR A 59 -8.411 -1.924 2.642 1.00 0.00 N ATOM 874 CA THR A 59 -8.545 -0.688 3.339 1.00 0.00 C ATOM 875 C THR A 59 -8.380 -0.900 4.838 1.00 0.00 C ATOM 876 O THR A 59 -8.912 -1.862 5.406 1.00 0.00 O ATOM 877 CB THR A 59 -9.881 0.012 3.007 1.00 0.00 C ATOM 878 OG1 THR A 59 -10.980 -0.901 3.173 1.00 0.00 O ATOM 879 CG2 THR A 59 -9.879 0.526 1.588 1.00 0.00 C ATOM 0 H THR A 59 -9.279 -2.451 2.548 1.00 0.00 H new ATOM 0 HA THR A 59 -7.749 -0.024 3.002 1.00 0.00 H new ATOM 0 HB THR A 59 -9.996 0.852 3.692 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.700 -0.662 2.553 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.830 1.015 1.377 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.067 1.242 1.461 1.00 0.00 H new ATOM 0 HG23 THR A 59 -9.739 -0.307 0.899 1.00 0.00 H new ATOM 887 N ILE A 60 -7.616 -0.046 5.452 1.00 0.00 N ATOM 888 CA ILE A 60 -7.345 -0.113 6.853 1.00 0.00 C ATOM 889 C ILE A 60 -7.433 1.316 7.384 1.00 0.00 C ATOM 890 O ILE A 60 -7.481 2.260 6.596 1.00 0.00 O ATOM 891 CB ILE A 60 -5.924 -0.738 7.092 1.00 0.00 C ATOM 892 CG1 ILE A 60 -5.628 -0.959 8.583 1.00 0.00 C ATOM 893 CG2 ILE A 60 -4.827 0.086 6.434 1.00 0.00 C ATOM 894 CD1 ILE A 60 -4.246 -1.501 8.848 1.00 0.00 C ATOM 0 H ILE A 60 -7.155 0.732 4.981 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.060 -0.749 7.376 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.935 -1.719 6.616 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.747 -0.014 9.113 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.365 -1.649 8.993 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.860 -0.379 6.623 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.003 0.134 5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.831 1.094 6.848 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.106 -1.632 9.921 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.130 -2.462 8.347 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.502 -0.801 8.468 1.00 0.00 H new ATOM 906 N ASP A 61 -7.507 1.493 8.655 1.00 0.00 N ATOM 907 CA ASP A 61 -7.571 2.817 9.204 1.00 0.00 C ATOM 908 C ASP A 61 -6.189 3.358 9.467 1.00 0.00 C ATOM 909 O ASP A 61 -5.234 2.610 9.662 1.00 0.00 O ATOM 910 CB ASP A 61 -8.380 2.858 10.498 1.00 0.00 C ATOM 911 CG ASP A 61 -7.830 2.015 11.541 1.00 0.00 C ATOM 912 OD1 ASP A 61 -6.927 2.455 12.190 1.00 0.00 O ATOM 913 OD2 ASP A 61 -8.339 0.901 11.736 1.00 0.00 O ATOM 0 H ASP A 61 -7.525 0.741 9.343 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.071 3.440 8.462 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.427 3.886 10.857 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.403 2.546 10.289 1.00 0.00 H new ATOM 918 N ALA A 62 -6.088 4.657 9.448 1.00 0.00 N ATOM 919 CA ALA A 62 -4.865 5.335 9.824 1.00 0.00 C ATOM 920 C ALA A 62 -5.122 6.041 11.127 1.00 0.00 C ATOM 921 O ALA A 62 -4.403 6.949 11.543 1.00 0.00 O ATOM 922 CB ALA A 62 -4.468 6.327 8.770 1.00 0.00 C ATOM 0 H ALA A 62 -6.846 5.281 9.173 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.051 4.617 9.928 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.547 6.827 9.069 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.309 5.809 7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.260 7.067 8.650 1.00 0.00 H new ATOM 928 N LYS A 63 -6.135 5.573 11.771 1.00 0.00 N ATOM 929 CA LYS A 63 -6.653 6.177 12.948 1.00 0.00 C ATOM 930 C LYS A 63 -6.210 5.392 14.167 1.00 0.00 C ATOM 931 O LYS A 63 -5.733 5.946 15.154 1.00 0.00 O ATOM 932 CB LYS A 63 -8.169 6.179 12.823 1.00 0.00 C ATOM 933 CG LYS A 63 -8.871 6.952 13.880 1.00 0.00 C ATOM 934 CD LYS A 63 -10.343 7.083 13.564 1.00 0.00 C ATOM 935 CE LYS A 63 -10.986 8.145 14.425 1.00 0.00 C ATOM 936 NZ LYS A 63 -10.293 9.446 14.285 1.00 0.00 N ATOM 0 H LYS A 63 -6.640 4.735 11.484 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.285 7.197 13.063 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.441 6.588 11.850 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.525 5.149 12.846 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.744 6.457 14.843 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.424 7.942 13.969 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.472 7.335 12.511 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.841 6.127 13.726 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.034 8.257 14.146 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.966 7.831 15.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.979 10.219 14.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.556 9.527 15.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.857 9.507 13.343 1.00 0.00 H new ATOM 950 N ALA A 64 -6.341 4.115 14.065 1.00 0.00 N ATOM 951 CA ALA A 64 -6.011 3.201 15.117 1.00 0.00 C ATOM 952 C ALA A 64 -4.805 2.357 14.720 1.00 0.00 C ATOM 953 O ALA A 64 -3.890 2.153 15.520 1.00 0.00 O ATOM 954 CB ALA A 64 -7.208 2.316 15.412 1.00 0.00 C ATOM 0 H ALA A 64 -6.691 3.658 13.223 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.755 3.761 16.016 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.957 1.620 16.213 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.051 2.935 15.720 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.477 1.757 14.516 1.00 0.00 H new ATOM 960 N PHE A 65 -4.783 1.871 13.479 1.00 0.00 N ATOM 961 CA PHE A 65 -3.665 1.068 13.014 1.00 0.00 C ATOM 962 C PHE A 65 -2.712 1.903 12.204 1.00 0.00 C ATOM 963 O PHE A 65 -1.764 1.384 11.616 1.00 0.00 O ATOM 964 CB PHE A 65 -4.139 -0.099 12.165 1.00 0.00 C ATOM 965 CG PHE A 65 -4.932 -1.145 12.894 1.00 0.00 C ATOM 966 CD1 PHE A 65 -4.291 -2.214 13.499 1.00 0.00 C ATOM 967 CD2 PHE A 65 -6.308 -1.071 12.963 1.00 0.00 C ATOM 968 CE1 PHE A 65 -5.010 -3.187 14.161 1.00 0.00 C ATOM 969 CE2 PHE A 65 -7.034 -2.043 13.621 1.00 0.00 C ATOM 970 CZ PHE A 65 -6.384 -3.102 14.221 1.00 0.00 C ATOM 0 H PHE A 65 -5.519 2.020 12.789 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.156 0.682 13.897 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.747 0.291 11.349 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.269 -0.576 11.714 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.214 -2.286 13.452 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.823 -0.244 12.497 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.498 -4.013 14.631 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.111 -1.975 13.666 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.951 -3.863 14.737 1.00 0.00 H new ATOM 980 N GLY A 66 -2.925 3.205 12.231 1.00 0.00 N ATOM 981 CA GLY A 66 -2.178 4.121 11.405 1.00 0.00 C ATOM 982 C GLY A 66 -0.704 4.100 11.615 1.00 0.00 C ATOM 983 O GLY A 66 0.036 4.326 10.676 1.00 0.00 O ATOM 0 H GLY A 66 -3.621 3.652 12.827 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.384 3.894 10.359 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.542 5.132 11.589 1.00 0.00 H new ATOM 987 N ALA A 67 -0.274 3.787 12.824 1.00 0.00 N ATOM 988 CA ALA A 67 1.149 3.685 13.161 1.00 0.00 C ATOM 989 C ALA A 67 1.878 2.726 12.214 1.00 0.00 C ATOM 990 O ALA A 67 3.053 2.913 11.889 1.00 0.00 O ATOM 991 CB ALA A 67 1.312 3.219 14.597 1.00 0.00 C ATOM 0 H ALA A 67 -0.898 3.594 13.608 1.00 0.00 H new ATOM 0 HA ALA A 67 1.593 4.674 13.049 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.373 3.146 14.838 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.836 3.934 15.268 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.845 2.242 14.718 1.00 0.00 H new ATOM 997 N HIS A 68 1.159 1.736 11.720 1.00 0.00 N ATOM 998 CA HIS A 68 1.724 0.748 10.837 1.00 0.00 C ATOM 999 C HIS A 68 2.079 1.364 9.454 1.00 0.00 C ATOM 1000 O HIS A 68 2.994 0.889 8.786 1.00 0.00 O ATOM 1001 CB HIS A 68 0.778 -0.472 10.714 1.00 0.00 C ATOM 1002 CG HIS A 68 1.335 -1.612 9.903 1.00 0.00 C ATOM 1003 ND1 HIS A 68 0.708 -2.168 8.810 1.00 0.00 N ATOM 1004 CD2 HIS A 68 2.483 -2.313 10.067 1.00 0.00 C ATOM 1005 CE1 HIS A 68 1.477 -3.163 8.355 1.00 0.00 C ATOM 1006 NE2 HIS A 68 2.569 -3.292 9.085 1.00 0.00 N ATOM 0 H HIS A 68 0.169 1.599 11.922 1.00 0.00 H new ATOM 0 HA HIS A 68 2.660 0.392 11.267 1.00 0.00 H new ATOM 0 HB2 HIS A 68 0.541 -0.835 11.714 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -0.159 -0.146 10.263 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.216 -2.138 10.840 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.236 -3.780 7.502 1.00 0.00 H new ATOM 0 HE2 HIS A 68 3.320 -3.970 8.955 1.00 0.00 H new ATOM 1014 N ALA A 69 1.411 2.480 9.083 1.00 0.00 N ATOM 1015 CA ALA A 69 1.656 3.147 7.783 1.00 0.00 C ATOM 1016 C ALA A 69 3.062 3.641 7.724 1.00 0.00 C ATOM 1017 O ALA A 69 3.695 3.657 6.688 1.00 0.00 O ATOM 1018 CB ALA A 69 0.707 4.329 7.551 1.00 0.00 C ATOM 0 H ALA A 69 0.704 2.935 9.660 1.00 0.00 H new ATOM 0 HA ALA A 69 1.476 2.407 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.925 4.786 6.586 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.324 3.975 7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.845 5.067 8.341 1.00 0.00 H new ATOM 1024 N GLY A 70 3.558 4.053 8.829 1.00 0.00 N ATOM 1025 CA GLY A 70 4.916 4.513 8.812 1.00 0.00 C ATOM 1026 C GLY A 70 5.892 3.638 9.491 1.00 0.00 C ATOM 1027 O GLY A 70 7.058 3.978 9.587 1.00 0.00 O ATOM 0 H GLY A 70 3.078 4.087 9.728 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.226 4.637 7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.953 5.498 9.276 1.00 0.00 H new ATOM 1031 N ASN A 71 5.447 2.495 9.939 1.00 0.00 N ATOM 1032 CA ASN A 71 6.390 1.480 10.381 1.00 0.00 C ATOM 1033 C ASN A 71 6.973 0.851 9.158 1.00 0.00 C ATOM 1034 O ASN A 71 8.015 0.208 9.188 1.00 0.00 O ATOM 1035 CB ASN A 71 5.760 0.436 11.292 1.00 0.00 C ATOM 1036 CG ASN A 71 5.923 0.782 12.754 1.00 0.00 C ATOM 1037 OD1 ASN A 71 6.892 0.364 13.396 1.00 0.00 O ATOM 1038 ND2 ASN A 71 5.032 1.564 13.281 1.00 0.00 N ATOM 0 H ASN A 71 4.463 2.238 10.011 1.00 0.00 H new ATOM 0 HA ASN A 71 7.165 1.952 10.985 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.699 0.344 11.058 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.214 -0.535 11.097 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.119 1.853 14.255 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.244 1.890 12.721 1.00 0.00 H new ATOM 1045 N LEU A 72 6.291 1.072 8.061 1.00 0.00 N ATOM 1046 CA LEU A 72 6.759 0.655 6.810 1.00 0.00 C ATOM 1047 C LEU A 72 7.442 1.827 6.109 1.00 0.00 C ATOM 1048 O LEU A 72 8.407 1.616 5.364 1.00 0.00 O ATOM 1049 CB LEU A 72 5.615 0.009 5.972 1.00 0.00 C ATOM 1050 CG LEU A 72 4.399 0.864 5.561 1.00 0.00 C ATOM 1051 CD1 LEU A 72 4.720 1.787 4.414 1.00 0.00 C ATOM 1052 CD2 LEU A 72 3.221 0.005 5.196 1.00 0.00 C ATOM 0 H LEU A 72 5.391 1.552 8.036 1.00 0.00 H new ATOM 0 HA LEU A 72 7.507 -0.128 6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.061 -0.384 5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.239 -0.844 6.536 1.00 0.00 H new ATOM 0 HG LEU A 72 4.142 1.469 6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.835 2.370 4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.527 2.460 4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.030 1.199 3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.382 0.640 4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.487 -0.641 4.359 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.938 -0.608 6.052 1.00 0.00 H new ATOM 1064 N ASN A 73 6.961 3.092 6.378 1.00 0.00 N ATOM 1065 CA ASN A 73 7.541 4.268 5.679 1.00 0.00 C ATOM 1066 C ASN A 73 6.932 5.634 6.036 1.00 0.00 C ATOM 1067 O ASN A 73 7.653 6.545 6.427 1.00 0.00 O ATOM 1068 CB ASN A 73 7.288 4.084 4.243 1.00 0.00 C ATOM 1069 CG ASN A 73 8.348 4.678 3.366 1.00 0.00 C ATOM 1070 OD1 ASN A 73 8.284 5.827 2.970 1.00 0.00 O ATOM 1071 ND2 ASN A 73 9.329 3.881 3.045 1.00 0.00 N ATOM 0 H ASN A 73 6.214 3.303 7.039 1.00 0.00 H new ATOM 0 HA ASN A 73 8.588 4.299 5.979 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.208 3.018 4.030 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.327 4.532 3.992 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.080 4.214 2.441 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.345 2.924 3.398 1.00 0.00 H new ATOM 1078 N LEU A 74 5.602 5.769 5.857 1.00 0.00 N ATOM 1079 CA LEU A 74 4.889 7.081 5.927 1.00 0.00 C ATOM 1080 C LEU A 74 5.000 7.768 7.294 1.00 0.00 C ATOM 1081 O LEU A 74 5.597 7.244 8.214 1.00 0.00 O ATOM 1082 CB LEU A 74 3.397 6.952 5.500 1.00 0.00 C ATOM 1083 CG LEU A 74 3.098 6.479 4.056 1.00 0.00 C ATOM 1084 CD1 LEU A 74 3.990 7.165 3.036 1.00 0.00 C ATOM 1085 CD2 LEU A 74 3.159 4.979 3.950 1.00 0.00 C ATOM 0 H LEU A 74 4.985 4.981 5.660 1.00 0.00 H new ATOM 0 HA LEU A 74 5.402 7.724 5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.911 6.259 6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.924 7.924 5.639 1.00 0.00 H new ATOM 0 HG LEU A 74 2.077 6.777 3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.746 6.803 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.832 8.243 3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.034 6.942 3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.945 4.678 2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.155 4.635 4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.422 4.537 4.620 1.00 0.00 H new ATOM 1097 N LYS A 75 4.403 8.934 7.450 1.00 0.00 N ATOM 1098 CA LYS A 75 4.547 9.633 8.725 1.00 0.00 C ATOM 1099 C LYS A 75 3.289 9.614 9.515 1.00 0.00 C ATOM 1100 O LYS A 75 3.236 10.155 10.608 1.00 0.00 O ATOM 1101 CB LYS A 75 5.072 11.063 8.584 1.00 0.00 C ATOM 1102 CG LYS A 75 5.097 11.624 7.187 1.00 0.00 C ATOM 1103 CD LYS A 75 5.663 13.028 7.176 1.00 0.00 C ATOM 1104 CE LYS A 75 5.428 13.697 5.839 1.00 0.00 C ATOM 1105 NZ LYS A 75 3.978 13.821 5.550 1.00 0.00 N ATOM 0 H LYS A 75 3.835 9.407 6.747 1.00 0.00 H new ATOM 0 HA LYS A 75 5.307 9.074 9.271 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.459 11.716 9.205 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.084 11.098 8.986 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.698 10.981 6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.087 11.632 6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.200 13.617 7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.732 12.995 7.387 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.888 14.685 5.838 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.911 13.120 5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.838 14.469 4.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.590 12.886 5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.488 14.195 6.387 1.00 0.00 H new ATOM 1119 N THR A 76 2.257 8.991 8.940 1.00 0.00 N ATOM 1120 CA THR A 76 0.905 8.816 9.554 1.00 0.00 C ATOM 1121 C THR A 76 0.228 10.176 9.896 1.00 0.00 C ATOM 1122 O THR A 76 -0.860 10.215 10.446 1.00 0.00 O ATOM 1123 CB THR A 76 0.971 7.920 10.851 1.00 0.00 C ATOM 1124 OG1 THR A 76 1.551 8.638 11.937 1.00 0.00 O ATOM 1125 CG2 THR A 76 1.838 6.697 10.604 1.00 0.00 C ATOM 0 H THR A 76 2.323 8.578 8.010 1.00 0.00 H new ATOM 0 HA THR A 76 0.296 8.313 8.803 1.00 0.00 H new ATOM 0 HB THR A 76 -0.051 7.629 11.094 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.925 9.482 11.608 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.874 6.088 11.507 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.416 6.111 9.788 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.847 7.014 10.339 1.00 0.00 H new ATOM 1133 N ASP A 77 0.870 11.257 9.497 1.00 0.00 N ATOM 1134 CA ASP A 77 0.499 12.626 9.891 1.00 0.00 C ATOM 1135 C ASP A 77 -0.583 13.261 9.035 1.00 0.00 C ATOM 1136 O ASP A 77 -1.294 14.164 9.489 1.00 0.00 O ATOM 1137 CB ASP A 77 1.745 13.518 9.773 1.00 0.00 C ATOM 1138 CG ASP A 77 2.248 13.639 8.330 1.00 0.00 C ATOM 1139 OD1 ASP A 77 2.274 12.622 7.610 1.00 0.00 O ATOM 1140 OD2 ASP A 77 2.659 14.741 7.904 1.00 0.00 O ATOM 0 H ASP A 77 1.680 11.221 8.879 1.00 0.00 H new ATOM 0 HA ASP A 77 0.108 12.549 10.905 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.514 14.511 10.158 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.540 13.111 10.398 1.00 0.00 H new ATOM 1145 N LYS A 78 -0.709 12.819 7.834 1.00 0.00 N ATOM 1146 CA LYS A 78 -1.499 13.530 6.868 1.00 0.00 C ATOM 1147 C LYS A 78 -2.664 12.654 6.367 1.00 0.00 C ATOM 1148 O LYS A 78 -3.097 11.739 7.094 1.00 0.00 O ATOM 1149 CB LYS A 78 -0.530 13.990 5.760 1.00 0.00 C ATOM 1150 CG LYS A 78 -0.914 15.255 4.995 1.00 0.00 C ATOM 1151 CD LYS A 78 -1.187 16.422 5.938 1.00 0.00 C ATOM 1152 CE LYS A 78 -1.227 17.749 5.195 1.00 0.00 C ATOM 1153 NZ LYS A 78 0.113 18.161 4.716 1.00 0.00 N ATOM 0 H LYS A 78 -0.276 11.964 7.486 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.984 14.408 7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.450 14.148 6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.424 13.177 5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.112 15.522 4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.800 15.060 4.391 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.136 16.262 6.449 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.414 16.458 6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.906 17.668 4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.629 18.520 5.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.041 19.078 4.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.760 18.247 5.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.480 17.447 4.055 1.00 0.00 H new ATOM 1167 N PHE A 79 -3.205 12.991 5.181 1.00 0.00 N ATOM 1168 CA PHE A 79 -4.345 12.296 4.537 1.00 0.00 C ATOM 1169 C PHE A 79 -4.045 10.781 4.390 1.00 0.00 C ATOM 1170 O PHE A 79 -2.891 10.369 4.610 1.00 0.00 O ATOM 1171 CB PHE A 79 -4.593 12.928 3.142 1.00 0.00 C ATOM 1172 CG PHE A 79 -4.901 14.403 3.168 1.00 0.00 C ATOM 1173 CD1 PHE A 79 -6.161 14.857 3.515 1.00 0.00 C ATOM 1174 CD2 PHE A 79 -3.931 15.333 2.832 1.00 0.00 C ATOM 1175 CE1 PHE A 79 -6.448 16.207 3.534 1.00 0.00 C ATOM 1176 CE2 PHE A 79 -4.210 16.685 2.848 1.00 0.00 C ATOM 1177 CZ PHE A 79 -5.471 17.123 3.199 1.00 0.00 C ATOM 0 H PHE A 79 -2.856 13.773 4.627 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.235 12.407 5.157 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -3.712 12.765 2.522 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.421 12.406 2.663 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.931 14.145 3.775 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.943 14.996 2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.435 16.546 3.811 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.443 17.399 2.586 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.693 18.180 3.212 1.00 0.00 H new ATOM 1187 N PRO A 80 -5.078 9.911 4.036 1.00 0.00 N ATOM 1188 CA PRO A 80 -4.892 8.473 3.899 1.00 0.00 C ATOM 1189 C PRO A 80 -3.583 8.066 3.218 1.00 0.00 C ATOM 1190 O PRO A 80 -3.230 8.536 2.161 1.00 0.00 O ATOM 1191 CB PRO A 80 -6.126 8.004 3.109 1.00 0.00 C ATOM 1192 CG PRO A 80 -6.854 9.222 2.732 1.00 0.00 C ATOM 1193 CD PRO A 80 -6.498 10.239 3.759 1.00 0.00 C ATOM 0 HA PRO A 80 -4.807 8.001 4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.831 7.437 2.226 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.751 7.348 3.715 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.568 9.556 1.735 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.929 9.045 2.713 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.617 11.256 3.385 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.118 10.153 4.651 1.00 0.00 H new ATOM 1201 N ALA A 81 -2.910 7.177 3.838 1.00 0.00 N ATOM 1202 CA ALA A 81 -1.612 6.793 3.440 1.00 0.00 C ATOM 1203 C ALA A 81 -1.672 5.449 2.733 1.00 0.00 C ATOM 1204 O ALA A 81 -1.872 4.407 3.353 1.00 0.00 O ATOM 1205 CB ALA A 81 -0.710 6.747 4.660 1.00 0.00 C ATOM 0 H ALA A 81 -3.255 6.681 4.660 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.199 7.519 2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.295 6.451 4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.674 7.733 5.123 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -1.102 6.024 5.375 1.00 0.00 H new ATOM 1211 N PHE A 82 -1.546 5.489 1.451 1.00 0.00 N ATOM 1212 CA PHE A 82 -1.594 4.302 0.640 1.00 0.00 C ATOM 1213 C PHE A 82 -0.205 3.685 0.541 1.00 0.00 C ATOM 1214 O PHE A 82 0.692 4.265 -0.054 1.00 0.00 O ATOM 1215 CB PHE A 82 -2.143 4.660 -0.737 1.00 0.00 C ATOM 1216 CG PHE A 82 -2.218 3.521 -1.697 1.00 0.00 C ATOM 1217 CD1 PHE A 82 -3.112 2.496 -1.495 1.00 0.00 C ATOM 1218 CD2 PHE A 82 -1.399 3.483 -2.807 1.00 0.00 C ATOM 1219 CE1 PHE A 82 -3.196 1.457 -2.380 1.00 0.00 C ATOM 1220 CE2 PHE A 82 -1.476 2.447 -3.700 1.00 0.00 C ATOM 1221 CZ PHE A 82 -2.380 1.430 -3.490 1.00 0.00 C ATOM 0 H PHE A 82 -1.405 6.350 0.923 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.254 3.564 1.096 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.141 5.081 -0.616 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.518 5.441 -1.170 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.755 2.512 -0.628 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.689 4.279 -2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.902 0.658 -2.209 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.830 2.428 -4.565 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.449 0.613 -4.193 1.00 0.00 H new ATOM 1231 N ALA A 83 -0.025 2.542 1.138 1.00 0.00 N ATOM 1232 CA ALA A 83 1.257 1.905 1.159 1.00 0.00 C ATOM 1233 C ALA A 83 1.221 0.533 0.527 1.00 0.00 C ATOM 1234 O ALA A 83 0.510 -0.335 0.987 1.00 0.00 O ATOM 1235 CB ALA A 83 1.714 1.793 2.576 1.00 0.00 C ATOM 0 H ALA A 83 -0.761 2.028 1.622 1.00 0.00 H new ATOM 0 HA ALA A 83 1.949 2.513 0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.690 1.309 2.606 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.789 2.788 3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.997 1.200 3.144 1.00 0.00 H new ATOM 1241 N ILE A 84 1.977 0.329 -0.515 1.00 0.00 N ATOM 1242 CA ILE A 84 2.033 -0.974 -1.129 1.00 0.00 C ATOM 1243 C ILE A 84 3.125 -1.785 -0.476 1.00 0.00 C ATOM 1244 O ILE A 84 4.309 -1.550 -0.705 1.00 0.00 O ATOM 1245 CB ILE A 84 2.292 -0.908 -2.652 1.00 0.00 C ATOM 1246 CG1 ILE A 84 1.282 0.020 -3.331 1.00 0.00 C ATOM 1247 CG2 ILE A 84 2.221 -2.312 -3.263 1.00 0.00 C ATOM 1248 CD1 ILE A 84 1.573 0.269 -4.793 1.00 0.00 C ATOM 0 H ILE A 84 2.560 1.040 -0.957 1.00 0.00 H new ATOM 0 HA ILE A 84 1.059 -1.441 -0.985 1.00 0.00 H new ATOM 0 HB ILE A 84 3.292 -0.505 -2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.285 -0.411 -3.236 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.268 0.974 -2.805 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.405 -2.252 -4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.975 -2.949 -2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.232 -2.735 -3.088 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.816 0.935 -5.206 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.556 0.729 -4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.558 -0.678 -5.333 1.00 0.00 H new ATOM 1260 N GLN A 85 2.749 -2.708 0.345 1.00 0.00 N ATOM 1261 CA GLN A 85 3.705 -3.546 0.948 1.00 0.00 C ATOM 1262 C GLN A 85 3.954 -4.672 0.013 1.00 0.00 C ATOM 1263 O GLN A 85 3.019 -5.262 -0.507 1.00 0.00 O ATOM 1264 CB GLN A 85 3.238 -4.131 2.268 1.00 0.00 C ATOM 1265 CG GLN A 85 4.282 -5.071 2.835 1.00 0.00 C ATOM 1266 CD GLN A 85 3.836 -5.932 3.969 1.00 0.00 C ATOM 1267 OE1 GLN A 85 2.973 -5.575 4.765 1.00 0.00 O ATOM 1268 NE2 GLN A 85 4.432 -7.086 4.043 1.00 0.00 N ATOM 0 H GLN A 85 1.781 -2.894 0.608 1.00 0.00 H new ATOM 0 HA GLN A 85 4.595 -2.951 1.153 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.040 -3.328 2.978 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.300 -4.666 2.123 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.636 -5.717 2.031 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.134 -4.478 3.167 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.144 -7.337 3.357 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.188 -7.739 4.787 1.00 0.00 H new ATOM 1277 N GLU A 86 5.162 -4.970 -0.214 1.00 0.00 N ATOM 1278 CA GLU A 86 5.447 -6.097 -1.032 1.00 0.00 C ATOM 1279 C GLU A 86 5.444 -7.338 -0.209 1.00 0.00 C ATOM 1280 O GLU A 86 5.866 -7.329 0.947 1.00 0.00 O ATOM 1281 CB GLU A 86 6.754 -5.955 -1.787 1.00 0.00 C ATOM 1282 CG GLU A 86 6.583 -5.731 -3.266 1.00 0.00 C ATOM 1283 CD GLU A 86 6.212 -7.010 -3.966 1.00 0.00 C ATOM 1284 OE1 GLU A 86 5.444 -7.801 -3.400 1.00 0.00 O ATOM 1285 OE2 GLU A 86 6.779 -7.284 -5.011 1.00 0.00 O ATOM 0 H GLU A 86 5.973 -4.465 0.144 1.00 0.00 H new ATOM 0 HA GLU A 86 4.660 -6.160 -1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.317 -5.122 -1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.351 -6.854 -1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.810 -4.981 -3.437 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.508 -5.337 -3.687 1.00 0.00 H new ATOM 1292 N VAL A 87 4.941 -8.375 -0.770 1.00 0.00 N ATOM 1293 CA VAL A 87 4.967 -9.651 -0.140 1.00 0.00 C ATOM 1294 C VAL A 87 5.988 -10.510 -0.884 1.00 0.00 C ATOM 1295 O VAL A 87 6.289 -11.643 -0.504 1.00 0.00 O ATOM 1296 CB VAL A 87 3.541 -10.316 -0.070 1.00 0.00 C ATOM 1297 CG1 VAL A 87 3.562 -11.591 0.742 1.00 0.00 C ATOM 1298 CG2 VAL A 87 2.543 -9.336 0.528 1.00 0.00 C ATOM 0 H VAL A 87 4.495 -8.367 -1.687 1.00 0.00 H new ATOM 0 HA VAL A 87 5.268 -9.547 0.903 1.00 0.00 H new ATOM 0 HB VAL A 87 3.239 -10.572 -1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.561 -12.022 0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.251 -12.302 0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.889 -11.370 1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.559 -9.802 0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.861 -9.061 1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.493 -8.442 -0.094 1.00 0.00 H new ATOM 1308 N ALA A 88 6.566 -9.931 -1.926 1.00 0.00 N ATOM 1309 CA ALA A 88 7.592 -10.632 -2.680 1.00 0.00 C ATOM 1310 C ALA A 88 8.939 -10.040 -2.332 1.00 0.00 C ATOM 1311 O ALA A 88 9.895 -10.750 -2.003 1.00 0.00 O ATOM 1312 CB ALA A 88 7.326 -10.551 -4.178 1.00 0.00 C ATOM 0 H ALA A 88 6.347 -8.994 -2.264 1.00 0.00 H new ATOM 0 HA ALA A 88 7.580 -11.689 -2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.110 -11.084 -4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.360 -11.004 -4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.318 -9.507 -4.490 1.00 0.00 H new ATOM 1318 N LYS A 89 8.995 -8.733 -2.369 1.00 0.00 N ATOM 1319 CA LYS A 89 10.207 -7.994 -2.019 1.00 0.00 C ATOM 1320 C LYS A 89 10.217 -7.689 -0.535 1.00 0.00 C ATOM 1321 O LYS A 89 11.266 -7.458 0.053 1.00 0.00 O ATOM 1322 CB LYS A 89 10.269 -6.647 -2.754 1.00 0.00 C ATOM 1323 CG LYS A 89 10.783 -6.627 -4.187 1.00 0.00 C ATOM 1324 CD LYS A 89 9.979 -7.449 -5.164 1.00 0.00 C ATOM 1325 CE LYS A 89 10.435 -7.166 -6.595 1.00 0.00 C ATOM 1326 NZ LYS A 89 11.901 -7.345 -6.766 1.00 0.00 N ATOM 0 H LYS A 89 8.210 -8.141 -2.640 1.00 0.00 H new ATOM 0 HA LYS A 89 11.056 -8.616 -2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.265 -6.223 -2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 89 10.897 -5.977 -2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.804 -5.594 -4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.812 -6.987 -4.193 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.096 -8.509 -4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.919 -7.216 -5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.908 -7.830 -7.280 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.162 -6.146 -6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.139 -7.309 -7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.404 -6.585 -6.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.186 -8.266 -6.375 1.00 0.00 H new ATOM 1340 N ASN A 90 9.009 -7.643 0.030 1.00 0.00 N ATOM 1341 CA ASN A 90 8.731 -7.229 1.419 1.00 0.00 C ATOM 1342 C ASN A 90 9.073 -5.738 1.560 1.00 0.00 C ATOM 1343 O ASN A 90 9.225 -5.193 2.643 1.00 0.00 O ATOM 1344 CB ASN A 90 9.478 -8.084 2.443 1.00 0.00 C ATOM 1345 CG ASN A 90 8.797 -8.111 3.813 1.00 0.00 C ATOM 1346 OD1 ASN A 90 8.082 -7.177 4.215 1.00 0.00 O ATOM 1347 ND2 ASN A 90 9.006 -9.180 4.532 1.00 0.00 N ATOM 0 H ASN A 90 8.164 -7.901 -0.479 1.00 0.00 H new ATOM 0 HA ASN A 90 7.673 -7.383 1.630 1.00 0.00 H new ATOM 0 HB2 ASN A 90 9.561 -9.103 2.065 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.493 -7.702 2.556 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.577 -9.267 5.453 1.00 0.00 H new ATOM 0 HD22 ASN A 90 9.598 -9.929 4.173 1.00 0.00 H new ATOM 1354 N GLN A 91 9.102 -5.080 0.418 1.00 0.00 N ATOM 1355 CA GLN A 91 9.425 -3.672 0.317 1.00 0.00 C ATOM 1356 C GLN A 91 8.169 -2.928 0.538 1.00 0.00 C ATOM 1357 O GLN A 91 7.126 -3.526 0.721 1.00 0.00 O ATOM 1358 CB GLN A 91 9.908 -3.327 -1.074 1.00 0.00 C ATOM 1359 CG GLN A 91 10.948 -2.206 -1.133 1.00 0.00 C ATOM 1360 CD GLN A 91 12.284 -2.600 -0.497 1.00 0.00 C ATOM 1361 OE1 GLN A 91 13.167 -3.113 -1.172 1.00 0.00 O ATOM 1362 NE2 GLN A 91 12.439 -2.359 0.788 1.00 0.00 N ATOM 0 H GLN A 91 8.898 -5.517 -0.481 1.00 0.00 H new ATOM 0 HA GLN A 91 10.203 -3.424 1.039 1.00 0.00 H new ATOM 0 HB2 GLN A 91 10.333 -4.222 -1.528 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.049 -3.039 -1.680 1.00 0.00 H new ATOM 0 HG2 GLN A 91 11.115 -1.926 -2.173 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.555 -1.325 -0.625 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.683 -1.930 1.321 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.315 -2.601 1.250 1.00 0.00 H new ATOM 1371 N LYS A 92 8.237 -1.646 0.516 1.00 0.00 N ATOM 1372 CA LYS A 92 7.090 -0.871 0.765 1.00 0.00 C ATOM 1373 C LYS A 92 7.110 0.274 -0.234 1.00 0.00 C ATOM 1374 O LYS A 92 7.972 1.148 -0.146 1.00 0.00 O ATOM 1375 CB LYS A 92 7.144 -0.324 2.201 1.00 0.00 C ATOM 1376 CG LYS A 92 7.731 -1.290 3.270 1.00 0.00 C ATOM 1377 CD LYS A 92 6.914 -2.544 3.583 1.00 0.00 C ATOM 1378 CE LYS A 92 7.614 -3.331 4.701 1.00 0.00 C ATOM 1379 NZ LYS A 92 7.007 -4.653 4.974 1.00 0.00 N ATOM 0 H LYS A 92 9.086 -1.113 0.326 1.00 0.00 H new ATOM 0 HA LYS A 92 6.179 -1.460 0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.737 0.590 2.200 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.134 -0.048 2.503 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.721 -1.603 2.939 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.866 -0.731 4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.905 -2.269 3.891 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.817 -3.163 2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.661 -3.471 4.432 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.596 -2.738 5.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.260 -4.959 5.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.972 -4.583 4.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.362 -5.347 4.285 1.00 0.00 H new ATOM 1393 N PHE A 93 6.267 0.181 -1.235 1.00 0.00 N ATOM 1394 CA PHE A 93 6.087 1.242 -2.252 1.00 0.00 C ATOM 1395 C PHE A 93 4.869 2.105 -1.855 1.00 0.00 C ATOM 1396 O PHE A 93 3.743 1.787 -2.209 1.00 0.00 O ATOM 1397 CB PHE A 93 5.882 0.609 -3.679 1.00 0.00 C ATOM 1398 CG PHE A 93 7.007 -0.309 -4.088 1.00 0.00 C ATOM 1399 CD1 PHE A 93 7.045 -1.626 -3.648 1.00 0.00 C ATOM 1400 CD2 PHE A 93 8.024 0.140 -4.899 1.00 0.00 C ATOM 1401 CE1 PHE A 93 8.075 -2.463 -4.016 1.00 0.00 C ATOM 1402 CE2 PHE A 93 9.056 -0.699 -5.269 1.00 0.00 C ATOM 1403 CZ PHE A 93 9.081 -2.000 -4.827 1.00 0.00 C ATOM 0 H PHE A 93 5.671 -0.633 -1.386 1.00 0.00 H new ATOM 0 HA PHE A 93 6.978 1.868 -2.294 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.945 0.053 -3.692 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.788 1.408 -4.414 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.257 -1.998 -3.010 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.015 1.161 -5.250 1.00 0.00 H new ATOM 0 HE1 PHE A 93 8.091 -3.485 -3.666 1.00 0.00 H new ATOM 0 HE2 PHE A 93 9.846 -0.332 -5.908 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.889 -2.656 -5.117 1.00 0.00 H new ATOM 1413 N PRO A 94 5.050 3.154 -1.036 1.00 0.00 N ATOM 1414 CA PRO A 94 3.957 3.941 -0.536 1.00 0.00 C ATOM 1415 C PRO A 94 3.790 5.333 -1.205 1.00 0.00 C ATOM 1416 O PRO A 94 4.762 6.015 -1.599 1.00 0.00 O ATOM 1417 CB PRO A 94 4.359 4.037 0.916 1.00 0.00 C ATOM 1418 CG PRO A 94 5.850 4.262 0.853 1.00 0.00 C ATOM 1419 CD PRO A 94 6.314 3.648 -0.469 1.00 0.00 C ATOM 0 HA PRO A 94 2.978 3.503 -0.731 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.850 4.858 1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.113 3.126 1.462 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.086 5.325 0.893 1.00 0.00 H new ATOM 0 HG3 PRO A 94 6.352 3.792 1.699 1.00 0.00 H new ATOM 0 HD2 PRO A 94 6.791 4.384 -1.116 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.034 2.844 -0.315 1.00 0.00 H new ATOM 1427 N PHE A 95 2.553 5.727 -1.322 1.00 0.00 N ATOM 1428 CA PHE A 95 2.159 6.948 -1.960 1.00 0.00 C ATOM 1429 C PHE A 95 2.215 8.096 -0.950 1.00 0.00 C ATOM 1430 O PHE A 95 2.182 7.874 0.261 1.00 0.00 O ATOM 1431 CB PHE A 95 0.736 6.767 -2.540 1.00 0.00 C ATOM 1432 CG PHE A 95 0.208 7.919 -3.352 1.00 0.00 C ATOM 1433 CD1 PHE A 95 0.622 8.109 -4.653 1.00 0.00 C ATOM 1434 CD2 PHE A 95 -0.712 8.798 -2.816 1.00 0.00 C ATOM 1435 CE1 PHE A 95 0.137 9.154 -5.404 1.00 0.00 C ATOM 1436 CE2 PHE A 95 -1.198 9.848 -3.560 1.00 0.00 C ATOM 1437 CZ PHE A 95 -0.772 10.024 -4.855 1.00 0.00 C ATOM 0 H PHE A 95 1.766 5.187 -0.963 1.00 0.00 H new ATOM 0 HA PHE A 95 2.839 7.193 -2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.730 5.874 -3.165 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.048 6.584 -1.714 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.338 7.427 -5.089 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.054 8.660 -1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.470 9.290 -6.422 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.913 10.533 -3.128 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.153 10.847 -5.441 1.00 0.00 H new ATOM 1447 N ASP A 96 2.307 9.300 -1.462 1.00 0.00 N ATOM 1448 CA ASP A 96 2.395 10.504 -0.659 1.00 0.00 C ATOM 1449 C ASP A 96 1.095 10.781 -0.015 1.00 0.00 C ATOM 1450 O ASP A 96 0.056 10.819 -0.669 1.00 0.00 O ATOM 1451 CB ASP A 96 2.783 11.698 -1.509 1.00 0.00 C ATOM 1452 CG ASP A 96 4.211 11.645 -1.995 1.00 0.00 C ATOM 1453 OD1 ASP A 96 4.576 10.701 -2.736 1.00 0.00 O ATOM 1454 OD2 ASP A 96 4.989 12.555 -1.676 1.00 0.00 O ATOM 0 H ASP A 96 2.323 9.477 -2.466 1.00 0.00 H new ATOM 0 HA ASP A 96 3.161 10.342 0.100 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.116 11.756 -2.369 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.637 12.610 -0.930 1.00 0.00 H new ATOM 1459 N GLN A 97 1.172 11.091 1.222 1.00 0.00 N ATOM 1460 CA GLN A 97 0.020 11.305 2.078 1.00 0.00 C ATOM 1461 C GLN A 97 -0.642 12.655 1.808 1.00 0.00 C ATOM 1462 O GLN A 97 -1.510 13.084 2.554 1.00 0.00 O ATOM 1463 CB GLN A 97 0.471 11.251 3.530 1.00 0.00 C ATOM 1464 CG GLN A 97 1.108 9.939 3.944 1.00 0.00 C ATOM 1465 CD GLN A 97 1.708 10.022 5.327 1.00 0.00 C ATOM 1466 OE1 GLN A 97 2.867 10.336 5.499 1.00 0.00 O ATOM 1467 NE2 GLN A 97 0.934 9.730 6.322 1.00 0.00 N ATOM 0 H GLN A 97 2.062 11.213 1.706 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.712 10.525 1.869 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.183 12.057 3.706 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.390 11.440 4.171 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.359 9.147 3.919 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.883 9.668 3.227 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.037 9.469 6.153 1.00 0.00 H new ATOM 0 HE22 GLN A 97 1.295 9.761 7.275 1.00 0.00 H new ATOM 1476 N GLU A 98 -0.228 13.327 0.749 1.00 0.00 N ATOM 1477 CA GLU A 98 -0.783 14.622 0.422 1.00 0.00 C ATOM 1478 C GLU A 98 -0.654 14.921 -1.049 1.00 0.00 C ATOM 1479 O GLU A 98 -0.757 16.062 -1.474 1.00 0.00 O ATOM 1480 CB GLU A 98 -0.148 15.713 1.276 1.00 0.00 C ATOM 1481 CG GLU A 98 1.363 15.710 1.279 1.00 0.00 C ATOM 1482 CD GLU A 98 1.897 16.752 2.195 1.00 0.00 C ATOM 1483 OE1 GLU A 98 1.785 16.586 3.422 1.00 0.00 O ATOM 1484 OE2 GLU A 98 2.427 17.750 1.725 1.00 0.00 O ATOM 0 H GLU A 98 0.489 12.996 0.104 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.849 14.599 0.650 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.496 16.683 0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.501 15.605 2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.727 14.730 1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.732 15.885 0.269 1.00 0.00 H new ATOM 1491 N LYS A 99 -0.489 13.884 -1.841 1.00 0.00 N ATOM 1492 CA LYS A 99 -0.402 14.055 -3.266 1.00 0.00 C ATOM 1493 C LYS A 99 -1.771 13.771 -3.871 1.00 0.00 C ATOM 1494 O LYS A 99 -1.939 13.699 -5.106 1.00 0.00 O ATOM 1495 CB LYS A 99 0.646 13.115 -3.818 1.00 0.00 C ATOM 1496 CG LYS A 99 1.070 13.438 -5.222 1.00 0.00 C ATOM 1497 CD LYS A 99 2.122 12.485 -5.770 1.00 0.00 C ATOM 1498 CE LYS A 99 3.433 12.631 -5.028 1.00 0.00 C ATOM 1499 NZ LYS A 99 4.510 11.825 -5.630 1.00 0.00 N ATOM 0 H LYS A 99 -0.413 12.919 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.109 15.074 -3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.521 13.140 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 99 0.258 12.097 -3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.195 13.415 -5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.461 14.455 -5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.766 11.458 -5.685 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.278 12.682 -6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.729 13.680 -5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.295 12.331 -3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.911 11.190 -4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.125 11.261 -6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.255 12.455 -5.990 1.00 0.00 H new ATOM 1513 N GLU A 100 -2.740 13.648 -2.963 1.00 0.00 N ATOM 1514 CA GLU A 100 -4.139 13.372 -3.259 1.00 0.00 C ATOM 1515 C GLU A 100 -4.360 11.925 -3.671 1.00 0.00 C ATOM 1516 O GLU A 100 -3.791 11.439 -4.645 1.00 0.00 O ATOM 1517 CB GLU A 100 -4.691 14.336 -4.313 1.00 0.00 C ATOM 1518 CG GLU A 100 -6.077 14.002 -4.776 1.00 0.00 C ATOM 1519 CD GLU A 100 -6.493 14.821 -5.943 1.00 0.00 C ATOM 1520 OE1 GLU A 100 -6.017 14.549 -7.068 1.00 0.00 O ATOM 1521 OE2 GLU A 100 -7.305 15.747 -5.766 1.00 0.00 O ATOM 0 H GLU A 100 -2.561 13.742 -1.963 1.00 0.00 H new ATOM 0 HA GLU A 100 -4.695 13.534 -2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.689 15.346 -3.904 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.022 14.340 -5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.125 12.946 -5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.779 14.158 -3.957 1.00 0.00 H new ATOM 1528 N ILE A 101 -5.180 11.239 -2.922 1.00 0.00 N ATOM 1529 CA ILE A 101 -5.510 9.888 -3.245 1.00 0.00 C ATOM 1530 C ILE A 101 -6.777 9.885 -4.093 1.00 0.00 C ATOM 1531 O ILE A 101 -7.890 10.071 -3.591 1.00 0.00 O ATOM 1532 CB ILE A 101 -5.691 8.962 -1.995 1.00 0.00 C ATOM 1533 CG1 ILE A 101 -4.408 8.848 -1.144 1.00 0.00 C ATOM 1534 CG2 ILE A 101 -6.142 7.571 -2.410 1.00 0.00 C ATOM 1535 CD1 ILE A 101 -4.144 10.012 -0.215 1.00 0.00 C ATOM 0 H ILE A 101 -5.631 11.600 -2.081 1.00 0.00 H new ATOM 0 HA ILE A 101 -4.667 9.472 -3.797 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.459 9.432 -1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -4.465 7.936 -0.550 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -3.555 8.739 -1.814 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.260 6.947 -1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.094 7.639 -2.936 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.395 7.128 -3.068 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.221 9.835 0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.048 10.928 -0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -4.972 10.113 0.486 1.00 0.00 H new ATOM 1547 N THR A 102 -6.582 9.783 -5.367 1.00 0.00 N ATOM 1548 CA THR A 102 -7.643 9.727 -6.329 1.00 0.00 C ATOM 1549 C THR A 102 -7.481 8.493 -7.210 1.00 0.00 C ATOM 1550 O THR A 102 -6.686 7.608 -6.885 1.00 0.00 O ATOM 1551 CB THR A 102 -7.645 11.010 -7.167 1.00 0.00 C ATOM 1552 OG1 THR A 102 -6.292 11.493 -7.309 1.00 0.00 O ATOM 1553 CG2 THR A 102 -8.548 12.064 -6.542 1.00 0.00 C ATOM 0 H THR A 102 -5.652 9.735 -5.784 1.00 0.00 H new ATOM 0 HA THR A 102 -8.601 9.651 -5.815 1.00 0.00 H new ATOM 0 HB THR A 102 -8.043 10.791 -8.158 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.282 12.469 -7.223 1.00 0.00 H new ATOM 0 HG21 THR A 102 -8.533 12.965 -7.155 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.567 11.682 -6.484 1.00 0.00 H new ATOM 0 HG23 THR A 102 -8.191 12.301 -5.540 1.00 0.00 H new ATOM 1561 N PHE A 103 -8.176 8.450 -8.335 1.00 0.00 N ATOM 1562 CA PHE A 103 -8.176 7.280 -9.188 1.00 0.00 C ATOM 1563 C PHE A 103 -6.901 7.315 -9.931 1.00 0.00 C ATOM 1564 O PHE A 103 -6.062 6.461 -9.804 1.00 0.00 O ATOM 1565 CB PHE A 103 -9.379 7.371 -10.156 1.00 0.00 C ATOM 1566 CG PHE A 103 -9.527 6.293 -11.218 1.00 0.00 C ATOM 1567 CD1 PHE A 103 -8.733 6.319 -12.361 1.00 0.00 C ATOM 1568 CD2 PHE A 103 -10.512 5.311 -11.123 1.00 0.00 C ATOM 1569 CE1 PHE A 103 -8.896 5.395 -13.363 1.00 0.00 C ATOM 1570 CE2 PHE A 103 -10.676 4.403 -12.143 1.00 0.00 C ATOM 1571 CZ PHE A 103 -9.869 4.440 -13.257 1.00 0.00 C ATOM 0 H PHE A 103 -8.751 9.220 -8.678 1.00 0.00 H new ATOM 0 HA PHE A 103 -8.266 6.351 -8.625 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -10.289 7.376 -9.557 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -9.326 8.334 -10.664 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.974 7.081 -12.461 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -11.145 5.263 -10.250 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.257 5.422 -14.233 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -11.448 3.651 -12.069 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.004 3.716 -14.047 1.00 0.00 H new ATOM 1581 N GLU A 104 -6.762 8.381 -10.624 1.00 0.00 N ATOM 1582 CA GLU A 104 -5.685 8.706 -11.434 1.00 0.00 C ATOM 1583 C GLU A 104 -4.358 8.608 -10.704 1.00 0.00 C ATOM 1584 O GLU A 104 -3.466 7.894 -11.143 1.00 0.00 O ATOM 1585 CB GLU A 104 -5.958 10.090 -11.824 1.00 0.00 C ATOM 1586 CG GLU A 104 -7.121 10.241 -12.782 1.00 0.00 C ATOM 1587 CD GLU A 104 -6.836 9.590 -14.111 1.00 0.00 C ATOM 1588 OE1 GLU A 104 -7.000 8.362 -14.240 1.00 0.00 O ATOM 1589 OE2 GLU A 104 -6.431 10.300 -15.053 1.00 0.00 O ATOM 0 H GLU A 104 -7.477 9.108 -10.628 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.591 8.023 -12.278 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.160 10.676 -10.928 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.064 10.510 -12.285 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.014 9.796 -12.343 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.333 11.299 -12.933 1.00 0.00 H new ATOM 1596 N ALA A 105 -4.261 9.288 -9.578 1.00 0.00 N ATOM 1597 CA ALA A 105 -3.049 9.327 -8.786 1.00 0.00 C ATOM 1598 C ALA A 105 -2.592 7.939 -8.357 1.00 0.00 C ATOM 1599 O ALA A 105 -1.430 7.575 -8.544 1.00 0.00 O ATOM 1600 CB ALA A 105 -3.252 10.199 -7.577 1.00 0.00 C ATOM 0 H ALA A 105 -5.028 9.833 -9.185 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.264 9.746 -9.415 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -2.336 10.222 -6.987 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.504 11.210 -7.896 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -4.064 9.797 -6.970 1.00 0.00 H new ATOM 1606 N ILE A 106 -3.502 7.165 -7.814 1.00 0.00 N ATOM 1607 CA ILE A 106 -3.177 5.841 -7.316 1.00 0.00 C ATOM 1608 C ILE A 106 -2.940 4.880 -8.451 1.00 0.00 C ATOM 1609 O ILE A 106 -2.003 4.110 -8.411 1.00 0.00 O ATOM 1610 CB ILE A 106 -4.269 5.313 -6.371 1.00 0.00 C ATOM 1611 CG1 ILE A 106 -4.413 6.246 -5.185 1.00 0.00 C ATOM 1612 CG2 ILE A 106 -3.997 3.882 -5.905 1.00 0.00 C ATOM 1613 CD1 ILE A 106 -3.126 6.492 -4.429 1.00 0.00 C ATOM 0 H ILE A 106 -4.481 7.428 -7.704 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.254 5.923 -6.743 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.205 5.286 -6.929 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.804 7.202 -5.534 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -5.151 5.831 -4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.798 3.557 -5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.953 3.220 -6.770 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.047 3.847 -5.372 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.317 7.169 -3.597 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.742 5.546 -4.046 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.390 6.938 -5.098 1.00 0.00 H new ATOM 1625 N LYS A 107 -3.780 4.962 -9.456 1.00 0.00 N ATOM 1626 CA LYS A 107 -3.675 4.146 -10.676 1.00 0.00 C ATOM 1627 C LYS A 107 -2.304 4.318 -11.271 1.00 0.00 C ATOM 1628 O LYS A 107 -1.610 3.353 -11.562 1.00 0.00 O ATOM 1629 CB LYS A 107 -4.666 4.672 -11.699 1.00 0.00 C ATOM 1630 CG LYS A 107 -4.677 3.971 -13.049 1.00 0.00 C ATOM 1631 CD LYS A 107 -5.308 4.868 -14.117 1.00 0.00 C ATOM 1632 CE LYS A 107 -4.426 6.097 -14.408 1.00 0.00 C ATOM 1633 NZ LYS A 107 -5.021 7.003 -15.411 1.00 0.00 N ATOM 0 H LYS A 107 -4.573 5.603 -9.464 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.868 3.102 -10.429 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -5.666 4.606 -11.271 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -4.459 5.729 -11.864 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -3.659 3.713 -13.339 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.234 3.037 -12.975 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -5.454 4.297 -15.034 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -6.293 5.195 -13.785 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.260 6.647 -13.482 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.450 5.763 -14.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.403 7.829 -15.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -5.125 6.500 -16.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.955 7.320 -15.082 1.00 0.00 H new ATOM 1647 N ALA A 108 -1.932 5.564 -11.435 1.00 0.00 N ATOM 1648 CA ALA A 108 -0.651 5.901 -12.036 1.00 0.00 C ATOM 1649 C ALA A 108 0.493 5.388 -11.177 1.00 0.00 C ATOM 1650 O ALA A 108 1.472 4.858 -11.687 1.00 0.00 O ATOM 1651 CB ALA A 108 -0.541 7.395 -12.263 1.00 0.00 C ATOM 0 H ALA A 108 -2.496 6.369 -11.162 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.586 5.412 -13.008 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.425 7.624 -12.713 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -1.339 7.721 -12.930 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -0.630 7.915 -11.309 1.00 0.00 H new ATOM 1657 N PHE A 109 0.318 5.500 -9.874 1.00 0.00 N ATOM 1658 CA PHE A 109 1.293 5.058 -8.910 1.00 0.00 C ATOM 1659 C PHE A 109 1.458 3.529 -8.968 1.00 0.00 C ATOM 1660 O PHE A 109 2.518 3.034 -9.280 1.00 0.00 O ATOM 1661 CB PHE A 109 0.873 5.513 -7.502 1.00 0.00 C ATOM 1662 CG PHE A 109 1.880 5.233 -6.428 1.00 0.00 C ATOM 1663 CD1 PHE A 109 2.922 6.116 -6.200 1.00 0.00 C ATOM 1664 CD2 PHE A 109 1.785 4.094 -5.645 1.00 0.00 C ATOM 1665 CE1 PHE A 109 3.853 5.868 -5.216 1.00 0.00 C ATOM 1666 CE2 PHE A 109 2.713 3.841 -4.662 1.00 0.00 C ATOM 1667 CZ PHE A 109 3.748 4.727 -4.448 1.00 0.00 C ATOM 0 H PHE A 109 -0.518 5.907 -9.455 1.00 0.00 H new ATOM 0 HA PHE A 109 2.258 5.506 -9.149 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.675 6.585 -7.525 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -0.064 5.021 -7.240 1.00 0.00 H new ATOM 0 HD1 PHE A 109 3.006 7.010 -6.801 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.975 3.399 -5.808 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.662 6.564 -5.046 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.631 2.949 -4.058 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.478 4.527 -3.677 1.00 0.00 H new ATOM 1677 N VAL A 110 0.394 2.794 -8.723 1.00 0.00 N ATOM 1678 CA VAL A 110 0.456 1.328 -8.715 1.00 0.00 C ATOM 1679 C VAL A 110 0.968 0.780 -10.058 1.00 0.00 C ATOM 1680 O VAL A 110 1.719 -0.176 -10.084 1.00 0.00 O ATOM 1681 CB VAL A 110 -0.905 0.685 -8.380 1.00 0.00 C ATOM 1682 CG1 VAL A 110 -1.359 1.018 -6.985 1.00 0.00 C ATOM 1683 CG2 VAL A 110 -1.904 1.141 -9.350 1.00 0.00 C ATOM 0 H VAL A 110 -0.530 3.178 -8.525 1.00 0.00 H new ATOM 0 HA VAL A 110 1.161 1.059 -7.928 1.00 0.00 H new ATOM 0 HB VAL A 110 -0.790 -0.398 -8.435 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.322 0.544 -6.793 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.625 0.653 -6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.460 2.099 -6.883 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.869 0.690 -9.118 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.990 2.226 -9.301 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.597 0.847 -10.354 1.00 0.00 H new ATOM 1693 N ASP A 111 0.582 1.429 -11.157 1.00 0.00 N ATOM 1694 CA ASP A 111 1.009 1.032 -12.506 1.00 0.00 C ATOM 1695 C ASP A 111 2.490 1.175 -12.627 1.00 0.00 C ATOM 1696 O ASP A 111 3.176 0.283 -13.107 1.00 0.00 O ATOM 1697 CB ASP A 111 0.386 1.927 -13.549 1.00 0.00 C ATOM 1698 CG ASP A 111 0.612 1.407 -14.955 1.00 0.00 C ATOM 1699 OD1 ASP A 111 -0.082 0.454 -15.379 1.00 0.00 O ATOM 1700 OD2 ASP A 111 1.496 1.915 -15.659 1.00 0.00 O ATOM 0 H ASP A 111 -0.033 2.242 -11.141 1.00 0.00 H new ATOM 0 HA ASP A 111 0.698 -0.001 -12.663 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.684 2.011 -13.362 1.00 0.00 H new ATOM 0 HB3 ASP A 111 0.804 2.930 -13.462 1.00 0.00 H new ATOM 1705 N ASP A 112 2.952 2.307 -12.161 1.00 0.00 N ATOM 1706 CA ASP A 112 4.380 2.699 -12.147 1.00 0.00 C ATOM 1707 C ASP A 112 5.109 1.633 -11.382 1.00 0.00 C ATOM 1708 O ASP A 112 6.055 1.059 -11.853 1.00 0.00 O ATOM 1709 CB ASP A 112 4.510 4.063 -11.425 1.00 0.00 C ATOM 1710 CG ASP A 112 5.652 4.982 -11.726 1.00 0.00 C ATOM 1711 OD1 ASP A 112 5.515 5.798 -12.643 1.00 0.00 O ATOM 1712 OD2 ASP A 112 6.640 4.987 -11.021 1.00 0.00 O ATOM 0 H ASP A 112 2.342 3.021 -11.762 1.00 0.00 H new ATOM 0 HA ASP A 112 4.790 2.797 -13.152 1.00 0.00 H new ATOM 0 HB2 ASP A 112 3.592 4.618 -11.620 1.00 0.00 H new ATOM 0 HB3 ASP A 112 4.537 3.858 -10.355 1.00 0.00 H new ATOM 1717 N PHE A 113 4.584 1.309 -10.232 1.00 0.00 N ATOM 1718 CA PHE A 113 5.129 0.270 -9.373 1.00 0.00 C ATOM 1719 C PHE A 113 5.214 -1.081 -10.102 1.00 0.00 C ATOM 1720 O PHE A 113 6.300 -1.613 -10.298 1.00 0.00 O ATOM 1721 CB PHE A 113 4.295 0.172 -8.075 1.00 0.00 C ATOM 1722 CG PHE A 113 4.282 -1.165 -7.414 1.00 0.00 C ATOM 1723 CD1 PHE A 113 5.437 -1.745 -6.932 1.00 0.00 C ATOM 1724 CD2 PHE A 113 3.103 -1.867 -7.335 1.00 0.00 C ATOM 1725 CE1 PHE A 113 5.401 -3.000 -6.382 1.00 0.00 C ATOM 1726 CE2 PHE A 113 3.065 -3.115 -6.799 1.00 0.00 C ATOM 1727 CZ PHE A 113 4.207 -3.683 -6.322 1.00 0.00 C ATOM 0 H PHE A 113 3.753 1.761 -9.851 1.00 0.00 H new ATOM 0 HA PHE A 113 6.150 0.541 -9.105 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.676 0.905 -7.364 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.267 0.454 -8.303 1.00 0.00 H new ATOM 0 HD1 PHE A 113 6.373 -1.209 -6.988 1.00 0.00 H new ATOM 0 HD2 PHE A 113 2.192 -1.420 -7.705 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.304 -3.451 -5.998 1.00 0.00 H new ATOM 0 HE2 PHE A 113 2.131 -3.655 -6.751 1.00 0.00 H new ATOM 0 HZ PHE A 113 4.176 -4.674 -5.894 1.00 0.00 H new ATOM 1737 N VAL A 114 4.067 -1.602 -10.476 1.00 0.00 N ATOM 1738 CA VAL A 114 3.932 -2.871 -11.217 1.00 0.00 C ATOM 1739 C VAL A 114 4.803 -2.904 -12.486 1.00 0.00 C ATOM 1740 O VAL A 114 5.295 -3.964 -12.900 1.00 0.00 O ATOM 1741 CB VAL A 114 2.433 -3.163 -11.566 1.00 0.00 C ATOM 1742 CG1 VAL A 114 2.263 -4.447 -12.354 1.00 0.00 C ATOM 1743 CG2 VAL A 114 1.626 -3.242 -10.304 1.00 0.00 C ATOM 0 H VAL A 114 3.171 -1.157 -10.277 1.00 0.00 H new ATOM 0 HA VAL A 114 4.294 -3.660 -10.558 1.00 0.00 H new ATOM 0 HB VAL A 114 2.080 -2.343 -12.192 1.00 0.00 H new ATOM 0 HG11 VAL A 114 1.206 -4.604 -12.571 1.00 0.00 H new ATOM 0 HG12 VAL A 114 2.819 -4.376 -13.289 1.00 0.00 H new ATOM 0 HG13 VAL A 114 2.642 -5.285 -11.770 1.00 0.00 H new ATOM 0 HG21 VAL A 114 0.584 -3.445 -10.551 1.00 0.00 H new ATOM 0 HG22 VAL A 114 2.013 -4.043 -9.674 1.00 0.00 H new ATOM 0 HG23 VAL A 114 1.694 -2.295 -9.769 1.00 0.00 H new ATOM 1753 N ALA A 115 5.012 -1.755 -13.076 1.00 0.00 N ATOM 1754 CA ALA A 115 5.834 -1.668 -14.260 1.00 0.00 C ATOM 1755 C ALA A 115 7.291 -1.784 -13.887 1.00 0.00 C ATOM 1756 O ALA A 115 8.070 -2.454 -14.546 1.00 0.00 O ATOM 1757 CB ALA A 115 5.595 -0.357 -14.973 1.00 0.00 C ATOM 0 H ALA A 115 4.626 -0.866 -12.758 1.00 0.00 H new ATOM 0 HA ALA A 115 5.567 -2.487 -14.928 1.00 0.00 H new ATOM 0 HB1 ALA A 115 6.222 -0.307 -15.863 1.00 0.00 H new ATOM 0 HB2 ALA A 115 4.547 -0.287 -15.263 1.00 0.00 H new ATOM 0 HB3 ALA A 115 5.844 0.470 -14.307 1.00 0.00 H new ATOM 1763 N GLY A 116 7.640 -1.185 -12.799 1.00 0.00 N ATOM 1764 CA GLY A 116 9.028 -1.125 -12.417 1.00 0.00 C ATOM 1765 C GLY A 116 9.513 0.262 -12.527 1.00 0.00 C ATOM 1766 O GLY A 116 10.703 0.527 -12.689 1.00 0.00 O ATOM 0 H GLY A 116 6.994 -0.729 -12.155 1.00 0.00 H new ATOM 0 HA2 GLY A 116 9.150 -1.483 -11.395 1.00 0.00 H new ATOM 0 HA3 GLY A 116 9.620 -1.779 -13.057 1.00 0.00 H new ATOM 1770 N LYS A 117 8.590 1.150 -12.447 1.00 0.00 N ATOM 1771 CA LYS A 117 8.856 2.508 -12.547 1.00 0.00 C ATOM 1772 C LYS A 117 9.072 3.025 -11.148 1.00 0.00 C ATOM 1773 O LYS A 117 9.993 3.808 -10.898 1.00 0.00 O ATOM 1774 CB LYS A 117 7.719 3.218 -13.288 1.00 0.00 C ATOM 1775 CG LYS A 117 8.232 4.204 -14.314 1.00 0.00 C ATOM 1776 CD LYS A 117 7.107 4.898 -15.077 1.00 0.00 C ATOM 1777 CE LYS A 117 6.339 3.950 -15.989 1.00 0.00 C ATOM 1778 NZ LYS A 117 7.160 3.497 -17.126 1.00 0.00 N ATOM 0 H LYS A 117 7.604 0.928 -12.306 1.00 0.00 H new ATOM 0 HA LYS A 117 9.754 2.703 -13.133 1.00 0.00 H new ATOM 0 HB2 LYS A 117 7.091 2.476 -13.782 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.089 3.740 -12.568 1.00 0.00 H new ATOM 0 HG2 LYS A 117 8.845 4.955 -13.816 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.878 3.684 -15.021 1.00 0.00 H new ATOM 0 HD2 LYS A 117 6.416 5.349 -14.365 1.00 0.00 H new ATOM 0 HD3 LYS A 117 7.525 5.709 -15.673 1.00 0.00 H new ATOM 0 HE2 LYS A 117 6.004 3.086 -15.415 1.00 0.00 H new ATOM 0 HE3 LYS A 117 5.445 4.450 -16.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.565 2.965 -17.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 7.570 4.322 -17.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 7.925 2.884 -16.779 1.00 0.00 H new ATOM 1792 N ILE A 118 8.235 2.581 -10.221 1.00 0.00 N ATOM 1793 CA ILE A 118 8.487 2.878 -8.835 1.00 0.00 C ATOM 1794 C ILE A 118 9.513 1.890 -8.313 1.00 0.00 C ATOM 1795 O ILE A 118 9.528 0.709 -8.696 1.00 0.00 O ATOM 1796 CB ILE A 118 7.217 2.810 -7.945 1.00 0.00 C ATOM 1797 CG1 ILE A 118 6.132 3.611 -8.552 1.00 0.00 C ATOM 1798 CG2 ILE A 118 7.476 3.378 -6.581 1.00 0.00 C ATOM 1799 CD1 ILE A 118 4.885 3.682 -7.753 1.00 0.00 C ATOM 0 H ILE A 118 7.398 2.028 -10.405 1.00 0.00 H new ATOM 0 HA ILE A 118 8.848 3.905 -8.783 1.00 0.00 H new ATOM 0 HB ILE A 118 6.937 1.760 -7.864 1.00 0.00 H new ATOM 0 HG12 ILE A 118 6.498 4.624 -8.718 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.896 3.193 -9.531 1.00 0.00 H new ATOM 0 HG21 ILE A 118 6.567 3.316 -5.982 1.00 0.00 H new ATOM 0 HG22 ILE A 118 8.270 2.811 -6.095 1.00 0.00 H new ATOM 0 HG23 ILE A 118 7.779 4.421 -6.673 1.00 0.00 H new ATOM 0 HD11 ILE A 118 4.150 4.290 -8.280 1.00 0.00 H new ATOM 0 HD12 ILE A 118 4.488 2.677 -7.608 1.00 0.00 H new ATOM 0 HD13 ILE A 118 5.099 4.131 -6.783 1.00 0.00 H new ATOM 1811 N GLU A 119 10.341 2.379 -7.480 1.00 0.00 N ATOM 1812 CA GLU A 119 11.380 1.642 -6.850 1.00 0.00 C ATOM 1813 C GLU A 119 11.241 1.990 -5.376 1.00 0.00 C ATOM 1814 O GLU A 119 10.355 2.795 -5.065 1.00 0.00 O ATOM 1815 CB GLU A 119 12.730 2.108 -7.420 1.00 0.00 C ATOM 1816 CG GLU A 119 13.097 3.551 -7.098 1.00 0.00 C ATOM 1817 CD GLU A 119 14.448 3.928 -7.633 1.00 0.00 C ATOM 1818 OE1 GLU A 119 15.471 3.576 -7.009 1.00 0.00 O ATOM 1819 OE2 GLU A 119 14.517 4.590 -8.683 1.00 0.00 O ATOM 0 H GLU A 119 10.319 3.359 -7.197 1.00 0.00 H new ATOM 0 HA GLU A 119 11.323 0.565 -7.009 1.00 0.00 H new ATOM 0 HB2 GLU A 119 13.514 1.455 -7.038 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.713 1.986 -8.503 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.344 4.218 -7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.083 3.695 -6.018 1.00 0.00 H new