USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 712 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 Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 150:sc= -4.36! USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0067 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -104:sc= 0.35 (180deg=-0.0072) USER MOD Single : A 26 SER OG : rot 76:sc= 0.883 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 28 GLN : amide:sc= -5.34! C(o=-5.3!,f=-20!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -28:sc= -0.662 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot -130:sc= -3.14! USER MOD Single : A 49 GLN : amide:sc= -0.0482 K(o=-0.048,f=-3.3!) USER MOD Single : A 51 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.9!) USER MOD Single : A 57 MET CE :methyl 161:sc= -1.86 (180deg=-3.14!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.51 K(o=-1.5,f=-2.9!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -2.08! C(o=-2.1!,f=-1.8!) USER MOD Single : A 73 ASN :FLIP amide:sc= -1.7 F(o=-2.8,f=-1.7) USER MOD Single : A 75 ASN :FLIP amide:sc= 0.743 F(o=-0.01,f=0.74) USER MOD Single : A 76 HIS : no HD1:sc= -2.77! C(o=-2.8!,f=-2.5!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 31:sc= -0.52 USER MOD Single : A 81 TYR OH : rot 144:sc= 0.139 USER MOD Single : A 90 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.5!) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0221 USER MOD Single : A 94 GLN : amide:sc=-0.00116 K(o=-0.0012,f=-0.98) USER MOD Single : A 98 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0397) USER MOD ----------------------------------------------------------------- ATOM 103 N GLY A 10 10.056 -7.453 -4.208 1.00 0.00 N ATOM 104 CA GLY A 10 9.241 -7.717 -3.034 1.00 0.00 C ATOM 105 C GLY A 10 8.401 -6.493 -2.663 1.00 0.00 C ATOM 106 O GLY A 10 8.686 -5.816 -1.676 1.00 0.00 O ATOM 0 HA2 GLY A 10 8.586 -8.567 -3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.882 -7.990 -2.196 1.00 0.00 H new ATOM 110 N LEU A 11 7.383 -6.245 -3.474 1.00 0.00 N ATOM 111 CA LEU A 11 6.500 -5.115 -3.244 1.00 0.00 C ATOM 112 C LEU A 11 5.586 -5.421 -2.055 1.00 0.00 C ATOM 113 O LEU A 11 5.139 -6.554 -1.887 1.00 0.00 O ATOM 114 CB LEU A 11 5.744 -4.755 -4.524 1.00 0.00 C ATOM 115 CG LEU A 11 5.717 -3.271 -4.893 1.00 0.00 C ATOM 116 CD1 LEU A 11 4.892 -2.470 -3.884 1.00 0.00 C ATOM 117 CD2 LEU A 11 7.135 -2.717 -5.043 1.00 0.00 C ATOM 0 H LEU A 11 7.150 -6.808 -4.292 1.00 0.00 H new ATOM 0 HA LEU A 11 7.077 -4.228 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.189 -5.307 -5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.716 -5.103 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 11 5.228 -3.169 -5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.889 -1.418 -4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.869 -2.845 -3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.330 -2.575 -2.891 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.087 -1.660 -5.306 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.672 -2.833 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.658 -3.263 -5.829 1.00 0.00 H new ATOM 129 N ARG A 12 5.336 -4.390 -1.261 1.00 0.00 N ATOM 130 CA ARG A 12 4.484 -4.534 -0.093 1.00 0.00 C ATOM 131 C ARG A 12 3.626 -3.282 0.096 1.00 0.00 C ATOM 132 O ARG A 12 4.085 -2.168 -0.151 1.00 0.00 O ATOM 133 CB ARG A 12 5.315 -4.771 1.169 1.00 0.00 C ATOM 134 CG ARG A 12 6.055 -6.108 1.097 1.00 0.00 C ATOM 135 CD ARG A 12 5.983 -6.847 2.434 1.00 0.00 C ATOM 136 NE ARG A 12 7.349 -7.141 2.924 1.00 0.00 N ATOM 137 CZ ARG A 12 7.616 -7.911 3.988 1.00 0.00 C ATOM 138 NH1 ARG A 12 6.613 -8.468 4.680 1.00 0.00 N ATOM 139 NH2 ARG A 12 8.886 -8.122 4.359 1.00 0.00 N ATOM 0 H ARG A 12 5.709 -3.451 -1.404 1.00 0.00 H new ATOM 0 HA ARG A 12 3.840 -5.398 -0.257 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.033 -3.960 1.293 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.665 -4.758 2.044 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.620 -6.726 0.312 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.097 -5.937 0.828 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.448 -6.241 3.165 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.422 -7.774 2.317 1.00 0.00 H new ATOM 0 HE ARG A 12 8.136 -6.732 2.420 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.647 -8.306 4.397 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.816 -9.054 5.490 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.649 -7.697 3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.090 -8.708 5.169 1.00 0.00 H new ATOM 153 N VAL A 13 2.396 -3.506 0.534 1.00 0.00 N ATOM 154 CA VAL A 13 1.470 -2.410 0.759 1.00 0.00 C ATOM 155 C VAL A 13 1.059 -2.390 2.233 1.00 0.00 C ATOM 156 O VAL A 13 0.242 -3.202 2.664 1.00 0.00 O ATOM 157 CB VAL A 13 0.277 -2.528 -0.193 1.00 0.00 C ATOM 158 CG1 VAL A 13 -0.706 -1.374 0.015 1.00 0.00 C ATOM 159 CG2 VAL A 13 0.743 -2.596 -1.649 1.00 0.00 C ATOM 0 H VAL A 13 2.019 -4.431 0.739 1.00 0.00 H new ATOM 0 HA VAL A 13 1.949 -1.455 0.542 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.244 -3.457 0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.544 -1.481 -0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.074 -1.390 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.201 -0.427 -0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.124 -2.680 -2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.299 -1.691 -1.896 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.386 -3.466 -1.785 1.00 0.00 H new ATOM 169 N TYR A 14 1.644 -1.453 2.964 1.00 0.00 N ATOM 170 CA TYR A 14 1.348 -1.316 4.380 1.00 0.00 C ATOM 171 C TYR A 14 0.014 -0.600 4.596 1.00 0.00 C ATOM 172 O TYR A 14 -0.032 0.627 4.670 1.00 0.00 O ATOM 173 CB TYR A 14 2.473 -0.459 4.965 1.00 0.00 C ATOM 174 CG TYR A 14 3.743 -1.245 5.301 1.00 0.00 C ATOM 175 CD1 TYR A 14 4.580 -1.669 4.289 1.00 0.00 C ATOM 176 CD2 TYR A 14 4.050 -1.528 6.616 1.00 0.00 C ATOM 177 CE1 TYR A 14 5.775 -2.408 4.606 1.00 0.00 C ATOM 178 CE2 TYR A 14 5.245 -2.267 6.933 1.00 0.00 C ATOM 179 CZ TYR A 14 6.048 -2.671 5.912 1.00 0.00 C ATOM 180 OH TYR A 14 7.177 -3.368 6.211 1.00 0.00 O ATOM 0 H TYR A 14 2.321 -0.781 2.603 1.00 0.00 H new ATOM 0 HA TYR A 14 1.278 -2.296 4.853 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.723 0.329 4.254 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.111 0.030 5.869 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.339 -1.447 3.260 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.395 -1.196 7.407 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.439 -2.746 3.824 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.498 -2.495 7.958 1.00 0.00 H new ATOM 0 HH TYR A 14 7.244 -3.481 7.182 1.00 0.00 H new ATOM 190 N SER A 15 -1.041 -1.397 4.690 1.00 0.00 N ATOM 191 CA SER A 15 -2.373 -0.854 4.896 1.00 0.00 C ATOM 192 C SER A 15 -2.810 -1.075 6.345 1.00 0.00 C ATOM 193 O SER A 15 -2.080 -1.675 7.133 1.00 0.00 O ATOM 194 CB SER A 15 -3.380 -1.489 3.935 1.00 0.00 C ATOM 195 OG SER A 15 -3.508 -2.892 4.146 1.00 0.00 O ATOM 0 H SER A 15 -1.000 -2.414 4.627 1.00 0.00 H new ATOM 0 HA SER A 15 -2.342 0.216 4.692 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.352 -1.013 4.062 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.067 -1.304 2.907 1.00 0.00 H new ATOM 0 HG SER A 15 -4.416 -3.177 3.911 1.00 0.00 H new ATOM 201 N THR A 16 -3.999 -0.579 6.653 1.00 0.00 N ATOM 202 CA THR A 16 -4.542 -0.714 7.994 1.00 0.00 C ATOM 203 C THR A 16 -5.977 -1.243 7.937 1.00 0.00 C ATOM 204 O THR A 16 -6.777 -0.791 7.120 1.00 0.00 O ATOM 205 CB THR A 16 -4.422 0.642 8.692 1.00 0.00 C ATOM 206 OG1 THR A 16 -5.187 0.487 9.885 1.00 0.00 O ATOM 207 CG2 THR A 16 -5.140 1.758 7.931 1.00 0.00 C ATOM 0 H THR A 16 -4.602 -0.083 5.997 1.00 0.00 H new ATOM 0 HA THR A 16 -3.981 -1.446 8.576 1.00 0.00 H new ATOM 0 HB THR A 16 -3.369 0.900 8.806 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.162 1.320 10.400 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.024 2.699 8.469 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.709 1.854 6.934 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.200 1.517 7.846 1.00 0.00 H new ATOM 215 N SER A 17 -6.258 -2.194 8.816 1.00 0.00 N ATOM 216 CA SER A 17 -7.582 -2.789 8.877 1.00 0.00 C ATOM 217 C SER A 17 -8.508 -1.922 9.732 1.00 0.00 C ATOM 218 O SER A 17 -9.687 -1.768 9.417 1.00 0.00 O ATOM 219 CB SER A 17 -7.521 -4.212 9.436 1.00 0.00 C ATOM 220 OG SER A 17 -8.811 -4.700 9.795 1.00 0.00 O ATOM 0 H SER A 17 -5.591 -2.567 9.492 1.00 0.00 H new ATOM 0 HA SER A 17 -7.979 -2.842 7.863 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.076 -4.875 8.693 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.870 -4.231 10.310 1.00 0.00 H new ATOM 0 HG SER A 17 -8.730 -5.611 10.146 1.00 0.00 H new ATOM 226 N VAL A 18 -7.939 -1.378 10.798 1.00 0.00 N ATOM 227 CA VAL A 18 -8.698 -0.530 11.701 1.00 0.00 C ATOM 228 C VAL A 18 -8.275 0.927 11.503 1.00 0.00 C ATOM 229 O VAL A 18 -7.111 1.272 11.705 1.00 0.00 O ATOM 230 CB VAL A 18 -8.524 -1.013 13.142 1.00 0.00 C ATOM 231 CG1 VAL A 18 -7.233 -0.462 13.753 1.00 0.00 C ATOM 232 CG2 VAL A 18 -9.737 -0.639 13.996 1.00 0.00 C ATOM 0 H VAL A 18 -6.961 -1.508 11.056 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.763 -0.592 11.478 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.449 -2.100 13.124 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.133 -0.820 14.778 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.379 -0.800 13.166 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.266 0.628 13.751 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.587 -0.994 15.016 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.857 0.444 14.003 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.632 -1.101 13.579 1.00 0.00 H new ATOM 242 N THR A 19 -9.242 1.742 11.110 1.00 0.00 N ATOM 243 CA THR A 19 -8.984 3.154 10.882 1.00 0.00 C ATOM 244 C THR A 19 -10.299 3.913 10.697 1.00 0.00 C ATOM 245 O THR A 19 -11.197 3.445 9.999 1.00 0.00 O ATOM 246 CB THR A 19 -8.039 3.275 9.685 1.00 0.00 C ATOM 247 OG1 THR A 19 -7.774 4.672 9.591 1.00 0.00 O ATOM 248 CG2 THR A 19 -8.725 2.936 8.360 1.00 0.00 C ATOM 0 H THR A 19 -10.206 1.452 10.943 1.00 0.00 H new ATOM 0 HA THR A 19 -8.499 3.612 11.744 1.00 0.00 H new ATOM 0 HB THR A 19 -7.184 2.615 9.830 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.167 4.840 8.840 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.010 3.038 7.544 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.094 1.911 8.393 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.560 3.617 8.198 1.00 0.00 H new ATOM 256 N GLY A 20 -10.370 5.073 11.334 1.00 0.00 N ATOM 257 CA GLY A 20 -11.561 5.902 11.249 1.00 0.00 C ATOM 258 C GLY A 20 -11.337 7.086 10.306 1.00 0.00 C ATOM 259 O GLY A 20 -11.586 8.233 10.675 1.00 0.00 O ATOM 0 H GLY A 20 -9.622 5.458 11.911 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.401 5.304 10.895 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.826 6.267 12.241 1.00 0.00 H new ATOM 263 N SER A 21 -10.871 6.768 9.108 1.00 0.00 N ATOM 264 CA SER A 21 -10.612 7.792 8.110 1.00 0.00 C ATOM 265 C SER A 21 -10.762 7.204 6.705 1.00 0.00 C ATOM 266 O SER A 21 -9.818 6.631 6.164 1.00 0.00 O ATOM 267 CB SER A 21 -9.216 8.392 8.287 1.00 0.00 C ATOM 268 OG SER A 21 -9.264 9.697 8.857 1.00 0.00 O ATOM 0 H SER A 21 -10.666 5.816 8.805 1.00 0.00 H new ATOM 0 HA SER A 21 -11.342 8.591 8.242 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.619 7.740 8.925 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.716 8.437 7.320 1.00 0.00 H new ATOM 0 HG SER A 21 -8.353 10.045 8.955 1.00 0.00 H new ATOM 274 N ARG A 22 -11.957 7.366 6.156 1.00 0.00 N ATOM 275 CA ARG A 22 -12.243 6.858 4.825 1.00 0.00 C ATOM 276 C ARG A 22 -11.106 7.212 3.865 1.00 0.00 C ATOM 277 O ARG A 22 -10.660 6.370 3.087 1.00 0.00 O ATOM 278 CB ARG A 22 -13.554 7.434 4.285 1.00 0.00 C ATOM 279 CG ARG A 22 -14.741 6.546 4.664 1.00 0.00 C ATOM 280 CD ARG A 22 -16.060 7.165 4.199 1.00 0.00 C ATOM 281 NE ARG A 22 -16.653 7.972 5.288 1.00 0.00 N ATOM 282 CZ ARG A 22 -17.872 8.526 5.235 1.00 0.00 C ATOM 283 NH1 ARG A 22 -18.635 8.364 4.145 1.00 0.00 N ATOM 284 NH2 ARG A 22 -18.329 9.242 6.272 1.00 0.00 N ATOM 0 H ARG A 22 -12.738 7.842 6.608 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.338 5.775 4.898 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.705 8.438 4.682 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.496 7.526 3.200 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.620 5.560 4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.763 6.404 5.744 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.888 7.791 3.323 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.754 6.380 3.898 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.099 8.116 6.132 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -18.288 7.819 3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -19.563 8.786 4.105 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.749 9.365 7.102 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.257 9.664 6.231 1.00 0.00 H new ATOM 298 N GLU A 23 -10.667 8.459 3.952 1.00 0.00 N ATOM 299 CA GLU A 23 -9.590 8.935 3.102 1.00 0.00 C ATOM 300 C GLU A 23 -8.472 7.894 3.028 1.00 0.00 C ATOM 301 O GLU A 23 -8.112 7.439 1.943 1.00 0.00 O ATOM 302 CB GLU A 23 -9.055 10.281 3.596 1.00 0.00 C ATOM 303 CG GLU A 23 -9.907 11.437 3.070 1.00 0.00 C ATOM 304 CD GLU A 23 -9.175 12.198 1.963 1.00 0.00 C ATOM 305 OE1 GLU A 23 -9.315 11.776 0.795 1.00 0.00 O ATOM 306 OE2 GLU A 23 -8.492 13.186 2.310 1.00 0.00 O ATOM 0 H GLU A 23 -11.038 9.155 4.599 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.986 9.086 2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.049 10.296 4.686 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.023 10.408 3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.852 11.052 2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.147 12.118 3.887 1.00 0.00 H new ATOM 313 N ILE A 24 -7.954 7.545 4.197 1.00 0.00 N ATOM 314 CA ILE A 24 -6.884 6.566 4.279 1.00 0.00 C ATOM 315 C ILE A 24 -7.282 5.315 3.492 1.00 0.00 C ATOM 316 O ILE A 24 -6.660 4.989 2.482 1.00 0.00 O ATOM 317 CB ILE A 24 -6.525 6.284 5.740 1.00 0.00 C ATOM 318 CG1 ILE A 24 -5.986 7.542 6.424 1.00 0.00 C ATOM 319 CG2 ILE A 24 -5.551 5.110 5.849 1.00 0.00 C ATOM 320 CD1 ILE A 24 -5.560 7.244 7.862 1.00 0.00 C ATOM 0 H ILE A 24 -8.256 7.923 5.095 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.975 6.957 3.821 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.435 5.996 6.266 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.136 7.930 5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.751 8.318 6.421 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.313 4.931 6.897 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.009 4.217 5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.637 5.344 5.304 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.181 8.155 8.325 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.418 6.879 8.427 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.778 6.485 7.860 1.00 0.00 H new ATOM 332 N LYS A 25 -8.315 4.649 3.984 1.00 0.00 N ATOM 333 CA LYS A 25 -8.804 3.442 3.339 1.00 0.00 C ATOM 334 C LYS A 25 -8.759 3.626 1.821 1.00 0.00 C ATOM 335 O LYS A 25 -8.076 2.880 1.121 1.00 0.00 O ATOM 336 CB LYS A 25 -10.188 3.072 3.874 1.00 0.00 C ATOM 337 CG LYS A 25 -10.090 1.982 4.944 1.00 0.00 C ATOM 338 CD LYS A 25 -11.474 1.433 5.296 1.00 0.00 C ATOM 339 CE LYS A 25 -12.165 2.315 6.337 1.00 0.00 C ATOM 340 NZ LYS A 25 -12.137 1.665 7.667 1.00 0.00 N ATOM 0 H LYS A 25 -8.828 4.922 4.822 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.160 2.595 3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.668 3.956 4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.818 2.726 3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.454 1.172 4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.617 2.387 5.839 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.087 1.378 4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.379 0.417 5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.669 3.284 6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.197 2.501 6.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.076 1.272 7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.434 0.899 7.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.882 2.367 8.391 1.00 0.00 H new ATOM 354 N SER A 26 -9.497 4.624 1.357 1.00 0.00 N ATOM 355 CA SER A 26 -9.551 4.916 -0.066 1.00 0.00 C ATOM 356 C SER A 26 -8.148 4.829 -0.671 1.00 0.00 C ATOM 357 O SER A 26 -7.917 4.062 -1.605 1.00 0.00 O ATOM 358 CB SER A 26 -10.155 6.298 -0.322 1.00 0.00 C ATOM 359 OG SER A 26 -11.097 6.663 0.683 1.00 0.00 O ATOM 0 H SER A 26 -10.062 5.240 1.941 1.00 0.00 H new ATOM 0 HA SER A 26 -10.192 4.175 -0.544 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.358 7.041 -0.359 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.643 6.305 -1.297 1.00 0.00 H new ATOM 0 HG SER A 26 -10.621 6.924 1.499 1.00 0.00 H new ATOM 365 N GLN A 27 -7.248 5.626 -0.114 1.00 0.00 N ATOM 366 CA GLN A 27 -5.874 5.649 -0.587 1.00 0.00 C ATOM 367 C GLN A 27 -5.342 4.223 -0.742 1.00 0.00 C ATOM 368 O GLN A 27 -4.682 3.907 -1.730 1.00 0.00 O ATOM 369 CB GLN A 27 -4.985 6.467 0.351 1.00 0.00 C ATOM 370 CG GLN A 27 -5.185 7.967 0.127 1.00 0.00 C ATOM 371 CD GLN A 27 -4.539 8.781 1.250 1.00 0.00 C ATOM 372 OE1 GLN A 27 -3.465 8.470 1.737 1.00 0.00 O ATOM 373 NE2 GLN A 27 -5.251 9.837 1.632 1.00 0.00 N ATOM 0 H GLN A 27 -7.443 6.261 0.660 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.855 6.131 -1.564 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.215 6.216 1.386 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.939 6.207 0.185 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.753 8.256 -0.831 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.250 8.192 0.077 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.143 10.040 1.182 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.905 10.444 2.375 1.00 0.00 H new ATOM 382 N GLN A 28 -5.650 3.400 0.250 1.00 0.00 N ATOM 383 CA GLN A 28 -5.210 2.015 0.236 1.00 0.00 C ATOM 384 C GLN A 28 -5.887 1.254 -0.906 1.00 0.00 C ATOM 385 O GLN A 28 -5.215 0.738 -1.797 1.00 0.00 O ATOM 386 CB GLN A 28 -5.483 1.340 1.582 1.00 0.00 C ATOM 387 CG GLN A 28 -4.989 2.208 2.741 1.00 0.00 C ATOM 388 CD GLN A 28 -5.056 1.444 4.065 1.00 0.00 C ATOM 389 OE1 GLN A 28 -4.116 1.416 4.843 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.215 0.828 4.277 1.00 0.00 N ATOM 0 H GLN A 28 -6.198 3.665 1.068 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.133 1.998 0.069 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.552 1.156 1.691 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.988 0.369 1.613 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.963 2.525 2.551 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.595 3.112 2.807 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.961 0.892 3.584 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.358 0.291 5.132 1.00 0.00 H new ATOM 399 N SER A 29 -7.210 1.209 -0.842 1.00 0.00 N ATOM 400 CA SER A 29 -7.985 0.520 -1.859 1.00 0.00 C ATOM 401 C SER A 29 -7.513 0.942 -3.252 1.00 0.00 C ATOM 402 O SER A 29 -7.473 0.126 -4.172 1.00 0.00 O ATOM 403 CB SER A 29 -9.480 0.803 -1.698 1.00 0.00 C ATOM 404 OG SER A 29 -10.231 -0.391 -1.498 1.00 0.00 O ATOM 0 H SER A 29 -7.764 1.639 -0.101 1.00 0.00 H new ATOM 0 HA SER A 29 -7.830 -0.552 -1.739 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.633 1.473 -0.852 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.849 1.319 -2.584 1.00 0.00 H new ATOM 0 HG SER A 29 -11.180 -0.168 -1.398 1.00 0.00 H new ATOM 410 N GLU A 30 -7.165 2.216 -3.364 1.00 0.00 N ATOM 411 CA GLU A 30 -6.697 2.756 -4.629 1.00 0.00 C ATOM 412 C GLU A 30 -5.342 2.147 -4.997 1.00 0.00 C ATOM 413 O GLU A 30 -5.223 1.453 -6.005 1.00 0.00 O ATOM 414 CB GLU A 30 -6.616 4.282 -4.577 1.00 0.00 C ATOM 415 CG GLU A 30 -7.691 4.919 -5.460 1.00 0.00 C ATOM 416 CD GLU A 30 -7.109 5.345 -6.810 1.00 0.00 C ATOM 417 OE1 GLU A 30 -6.405 6.378 -6.824 1.00 0.00 O ATOM 418 OE2 GLU A 30 -7.382 4.629 -7.797 1.00 0.00 O ATOM 0 H GLU A 30 -7.198 2.890 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.416 2.490 -5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.737 4.621 -3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.630 4.609 -4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.504 4.211 -5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.117 5.785 -4.954 1.00 0.00 H new ATOM 425 N VAL A 31 -4.356 2.428 -4.158 1.00 0.00 N ATOM 426 CA VAL A 31 -3.014 1.917 -4.382 1.00 0.00 C ATOM 427 C VAL A 31 -3.100 0.473 -4.882 1.00 0.00 C ATOM 428 O VAL A 31 -2.512 0.131 -5.907 1.00 0.00 O ATOM 429 CB VAL A 31 -2.180 2.059 -3.108 1.00 0.00 C ATOM 430 CG1 VAL A 31 -0.857 1.301 -3.231 1.00 0.00 C ATOM 431 CG2 VAL A 31 -1.939 3.533 -2.772 1.00 0.00 C ATOM 0 H VAL A 31 -4.459 3.003 -3.322 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.508 2.499 -5.152 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.744 1.616 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.283 1.419 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.058 0.243 -3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.285 1.700 -4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.344 3.606 -1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.406 4.011 -3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.896 4.033 -2.621 1.00 0.00 H new ATOM 441 N THR A 32 -3.837 -0.335 -4.135 1.00 0.00 N ATOM 442 CA THR A 32 -4.008 -1.734 -4.489 1.00 0.00 C ATOM 443 C THR A 32 -4.685 -1.859 -5.855 1.00 0.00 C ATOM 444 O THR A 32 -4.290 -2.688 -6.674 1.00 0.00 O ATOM 445 CB THR A 32 -4.785 -2.416 -3.361 1.00 0.00 C ATOM 446 OG1 THR A 32 -6.063 -1.786 -3.389 1.00 0.00 O ATOM 447 CG2 THR A 32 -4.230 -2.073 -1.977 1.00 0.00 C ATOM 0 H THR A 32 -4.323 -0.048 -3.285 1.00 0.00 H new ATOM 0 HA THR A 32 -3.046 -2.237 -4.590 1.00 0.00 H new ATOM 0 HB THR A 32 -4.760 -3.496 -3.504 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.972 -0.877 -3.743 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.817 -2.583 -1.213 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.191 -2.396 -1.911 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.286 -0.996 -1.819 1.00 0.00 H new ATOM 455 N ARG A 33 -5.693 -1.024 -6.060 1.00 0.00 N ATOM 456 CA ARG A 33 -6.428 -1.031 -7.313 1.00 0.00 C ATOM 457 C ARG A 33 -5.468 -0.871 -8.493 1.00 0.00 C ATOM 458 O ARG A 33 -5.430 -1.717 -9.386 1.00 0.00 O ATOM 459 CB ARG A 33 -7.463 0.095 -7.350 1.00 0.00 C ATOM 460 CG ARG A 33 -8.543 -0.187 -8.397 1.00 0.00 C ATOM 461 CD ARG A 33 -8.702 0.997 -9.353 1.00 0.00 C ATOM 462 NE ARG A 33 -9.483 0.586 -10.541 1.00 0.00 N ATOM 463 CZ ARG A 33 -9.028 -0.244 -11.490 1.00 0.00 C ATOM 464 NH1 ARG A 33 -7.793 -0.756 -11.395 1.00 0.00 N ATOM 465 NH2 ARG A 33 -9.806 -0.561 -12.533 1.00 0.00 N ATOM 0 H ARG A 33 -6.018 -0.338 -5.379 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.945 -1.988 -7.389 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.923 0.203 -6.368 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.970 1.040 -7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.282 -1.082 -8.961 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.492 -0.388 -7.900 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.203 1.821 -8.845 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.722 1.361 -9.660 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.427 0.958 -10.644 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.200 -0.514 -10.601 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.446 -1.388 -12.117 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.746 -0.171 -12.606 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.459 -1.193 -13.255 1.00 0.00 H new ATOM 479 N ILE A 34 -4.715 0.219 -8.459 1.00 0.00 N ATOM 480 CA ILE A 34 -3.757 0.500 -9.514 1.00 0.00 C ATOM 481 C ILE A 34 -2.795 -0.682 -9.653 1.00 0.00 C ATOM 482 O ILE A 34 -2.592 -1.196 -10.751 1.00 0.00 O ATOM 483 CB ILE A 34 -3.057 1.836 -9.260 1.00 0.00 C ATOM 484 CG1 ILE A 34 -4.073 2.974 -9.141 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.005 2.117 -10.335 1.00 0.00 C ATOM 486 CD1 ILE A 34 -3.918 3.711 -7.809 1.00 0.00 C ATOM 0 H ILE A 34 -4.749 0.918 -7.717 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.267 0.610 -10.471 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.533 1.771 -8.306 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.939 3.674 -9.966 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.084 2.574 -9.224 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.522 3.073 -10.131 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.257 1.324 -10.328 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.485 2.155 -11.313 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.652 4.515 -7.750 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.077 3.014 -6.987 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.914 4.130 -7.740 1.00 0.00 H new ATOM 498 N LEU A 35 -2.229 -1.078 -8.522 1.00 0.00 N ATOM 499 CA LEU A 35 -1.294 -2.190 -8.503 1.00 0.00 C ATOM 500 C LEU A 35 -1.946 -3.411 -9.155 1.00 0.00 C ATOM 501 O LEU A 35 -1.255 -4.287 -9.672 1.00 0.00 O ATOM 502 CB LEU A 35 -0.795 -2.446 -7.080 1.00 0.00 C ATOM 503 CG LEU A 35 0.197 -1.423 -6.523 1.00 0.00 C ATOM 504 CD1 LEU A 35 0.529 -1.722 -5.060 1.00 0.00 C ATOM 505 CD2 LEU A 35 1.454 -1.348 -7.392 1.00 0.00 C ATOM 0 H LEU A 35 -2.400 -0.649 -7.613 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.407 -1.951 -9.089 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.658 -2.485 -6.415 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.326 -3.430 -7.052 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.274 -0.440 -6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.236 -0.980 -4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.383 -1.684 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.971 -2.715 -4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.142 -0.614 -6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.937 -2.325 -7.418 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.179 -1.052 -8.405 1.00 0.00 H new ATOM 517 N ASP A 36 -3.270 -3.430 -9.109 1.00 0.00 N ATOM 518 CA ASP A 36 -4.024 -4.529 -9.688 1.00 0.00 C ATOM 519 C ASP A 36 -4.021 -4.395 -11.212 1.00 0.00 C ATOM 520 O ASP A 36 -3.970 -5.395 -11.927 1.00 0.00 O ATOM 521 CB ASP A 36 -5.478 -4.510 -9.214 1.00 0.00 C ATOM 522 CG ASP A 36 -5.988 -5.833 -8.638 1.00 0.00 C ATOM 523 OD1 ASP A 36 -5.172 -6.778 -8.580 1.00 0.00 O ATOM 524 OD2 ASP A 36 -7.182 -5.869 -8.270 1.00 0.00 O ATOM 0 H ASP A 36 -3.840 -2.701 -8.679 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.556 -5.462 -9.374 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.587 -3.735 -8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.114 -4.227 -10.053 1.00 0.00 H new ATOM 529 N GLY A 37 -4.078 -3.152 -11.666 1.00 0.00 N ATOM 530 CA GLY A 37 -4.083 -2.874 -13.092 1.00 0.00 C ATOM 531 C GLY A 37 -2.682 -3.030 -13.686 1.00 0.00 C ATOM 532 O GLY A 37 -2.511 -3.668 -14.723 1.00 0.00 O ATOM 0 H GLY A 37 -4.121 -2.325 -11.071 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.773 -3.551 -13.596 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.446 -1.861 -13.267 1.00 0.00 H new ATOM 536 N LYS A 38 -1.715 -2.435 -13.002 1.00 0.00 N ATOM 537 CA LYS A 38 -0.334 -2.499 -13.449 1.00 0.00 C ATOM 538 C LYS A 38 0.129 -3.957 -13.454 1.00 0.00 C ATOM 539 O LYS A 38 1.114 -4.298 -14.107 1.00 0.00 O ATOM 540 CB LYS A 38 0.546 -1.577 -12.603 1.00 0.00 C ATOM 541 CG LYS A 38 0.173 -0.110 -12.822 1.00 0.00 C ATOM 542 CD LYS A 38 1.414 0.733 -13.123 1.00 0.00 C ATOM 543 CE LYS A 38 1.123 2.223 -12.938 1.00 0.00 C ATOM 544 NZ LYS A 38 0.917 2.879 -14.249 1.00 0.00 N ATOM 0 H LYS A 38 -1.861 -1.907 -12.142 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.247 -2.133 -14.472 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.436 -1.830 -11.549 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.594 -1.732 -12.860 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.534 -0.030 -13.648 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.328 0.278 -11.935 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.230 0.434 -12.465 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.745 0.548 -14.145 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.236 2.352 -12.317 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.951 2.699 -12.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.721 3.890 -14.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.774 2.772 -14.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.112 2.436 -14.736 1.00 0.00 H new ATOM 558 N ARG A 39 -0.604 -4.780 -12.718 1.00 0.00 N ATOM 559 CA ARG A 39 -0.281 -6.194 -12.629 1.00 0.00 C ATOM 560 C ARG A 39 1.094 -6.385 -11.985 1.00 0.00 C ATOM 561 O ARG A 39 1.826 -7.308 -12.339 1.00 0.00 O ATOM 562 CB ARG A 39 -0.285 -6.848 -14.012 1.00 0.00 C ATOM 563 CG ARG A 39 -1.656 -6.715 -14.677 1.00 0.00 C ATOM 564 CD ARG A 39 -2.130 -8.062 -15.229 1.00 0.00 C ATOM 565 NE ARG A 39 -2.223 -7.999 -16.705 1.00 0.00 N ATOM 566 CZ ARG A 39 -1.181 -8.165 -17.531 1.00 0.00 C ATOM 567 NH1 ARG A 39 0.039 -8.404 -17.031 1.00 0.00 N ATOM 568 NH2 ARG A 39 -1.359 -8.092 -18.857 1.00 0.00 N ATOM 0 H ARG A 39 -1.421 -4.494 -12.178 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.044 -6.670 -12.013 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.475 -6.383 -14.640 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.022 -7.902 -13.921 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.380 -6.339 -13.954 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.603 -5.985 -15.485 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.437 -8.850 -14.933 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.102 -8.316 -14.806 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.137 -7.818 -17.119 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.175 -8.460 -16.022 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.832 -8.530 -17.660 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.288 -7.910 -19.238 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.566 -8.218 -19.486 1.00 0.00 H new ATOM 582 N ILE A 40 1.403 -5.497 -11.052 1.00 0.00 N ATOM 583 CA ILE A 40 2.678 -5.556 -10.356 1.00 0.00 C ATOM 584 C ILE A 40 2.585 -6.573 -9.216 1.00 0.00 C ATOM 585 O ILE A 40 1.519 -6.757 -8.629 1.00 0.00 O ATOM 586 CB ILE A 40 3.105 -4.159 -9.901 1.00 0.00 C ATOM 587 CG1 ILE A 40 3.390 -3.255 -11.101 1.00 0.00 C ATOM 588 CG2 ILE A 40 4.296 -4.235 -8.944 1.00 0.00 C ATOM 589 CD1 ILE A 40 3.491 -1.790 -10.672 1.00 0.00 C ATOM 0 H ILE A 40 0.793 -4.733 -10.761 1.00 0.00 H new ATOM 0 HA ILE A 40 3.464 -5.901 -11.028 1.00 0.00 H new ATOM 0 HB ILE A 40 2.278 -3.711 -9.350 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.320 -3.562 -11.580 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.598 -3.367 -11.841 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.580 -3.229 -8.636 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.021 -4.820 -8.066 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.137 -4.711 -9.447 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.694 -1.169 -11.544 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.551 -1.479 -10.216 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.300 -1.677 -9.950 1.00 0.00 H new ATOM 601 N GLN A 41 3.714 -7.206 -8.938 1.00 0.00 N ATOM 602 CA GLN A 41 3.774 -8.200 -7.879 1.00 0.00 C ATOM 603 C GLN A 41 3.988 -7.520 -6.525 1.00 0.00 C ATOM 604 O GLN A 41 5.054 -6.963 -6.268 1.00 0.00 O ATOM 605 CB GLN A 41 4.870 -9.230 -8.154 1.00 0.00 C ATOM 606 CG GLN A 41 4.276 -10.628 -8.335 1.00 0.00 C ATOM 607 CD GLN A 41 5.302 -11.586 -8.944 1.00 0.00 C ATOM 608 OE1 GLN A 41 6.502 -11.390 -8.853 1.00 0.00 O ATOM 609 NE2 GLN A 41 4.763 -12.629 -9.569 1.00 0.00 N ATOM 0 H GLN A 41 4.595 -7.050 -9.427 1.00 0.00 H new ATOM 0 HA GLN A 41 2.822 -8.731 -7.852 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.423 -8.947 -9.050 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.582 -9.238 -7.329 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.942 -11.012 -7.371 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.398 -10.573 -8.978 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.749 -12.732 -9.608 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.364 -13.326 -10.010 1.00 0.00 H new ATOM 618 N TYR A 42 2.958 -7.588 -5.695 1.00 0.00 N ATOM 619 CA TYR A 42 3.020 -6.986 -4.374 1.00 0.00 C ATOM 620 C TYR A 42 2.224 -7.809 -3.358 1.00 0.00 C ATOM 621 O TYR A 42 1.546 -8.767 -3.725 1.00 0.00 O ATOM 622 CB TYR A 42 2.377 -5.605 -4.509 1.00 0.00 C ATOM 623 CG TYR A 42 0.848 -5.633 -4.563 1.00 0.00 C ATOM 624 CD1 TYR A 42 0.117 -5.681 -3.393 1.00 0.00 C ATOM 625 CD2 TYR A 42 0.200 -5.609 -5.781 1.00 0.00 C ATOM 626 CE1 TYR A 42 -1.322 -5.707 -3.444 1.00 0.00 C ATOM 627 CE2 TYR A 42 -1.239 -5.636 -5.832 1.00 0.00 C ATOM 628 CZ TYR A 42 -1.929 -5.683 -4.661 1.00 0.00 C ATOM 629 OH TYR A 42 -3.288 -5.708 -4.709 1.00 0.00 O ATOM 0 H TYR A 42 2.075 -8.051 -5.912 1.00 0.00 H new ATOM 0 HA TYR A 42 4.051 -6.935 -4.024 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.689 -4.986 -3.668 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.754 -5.127 -5.413 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.624 -5.699 -2.440 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.772 -5.570 -6.696 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.906 -5.745 -2.536 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.758 -5.619 -6.779 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.583 -5.685 -5.643 1.00 0.00 H new ATOM 639 N GLN A 43 2.334 -7.405 -2.101 1.00 0.00 N ATOM 640 CA GLN A 43 1.633 -8.092 -1.030 1.00 0.00 C ATOM 641 C GLN A 43 1.163 -7.090 0.026 1.00 0.00 C ATOM 642 O GLN A 43 1.956 -6.296 0.530 1.00 0.00 O ATOM 643 CB GLN A 43 2.514 -9.175 -0.405 1.00 0.00 C ATOM 644 CG GLN A 43 1.669 -10.347 0.099 1.00 0.00 C ATOM 645 CD GLN A 43 2.544 -11.568 0.392 1.00 0.00 C ATOM 646 OE1 GLN A 43 2.623 -12.507 -0.382 1.00 0.00 O ATOM 647 NE2 GLN A 43 3.194 -11.501 1.551 1.00 0.00 N ATOM 0 H GLN A 43 2.898 -6.610 -1.800 1.00 0.00 H new ATOM 0 HA GLN A 43 0.756 -8.582 -1.452 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.235 -9.532 -1.141 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.085 -8.752 0.421 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.135 -10.053 1.002 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.917 -10.605 -0.647 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.082 -10.684 2.152 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.804 -12.266 1.839 1.00 0.00 H new ATOM 656 N LEU A 44 -0.125 -7.159 0.330 1.00 0.00 N ATOM 657 CA LEU A 44 -0.710 -6.268 1.317 1.00 0.00 C ATOM 658 C LEU A 44 -0.243 -6.683 2.713 1.00 0.00 C ATOM 659 O LEU A 44 0.016 -7.860 2.961 1.00 0.00 O ATOM 660 CB LEU A 44 -2.232 -6.225 1.165 1.00 0.00 C ATOM 661 CG LEU A 44 -2.832 -4.865 0.802 1.00 0.00 C ATOM 662 CD1 LEU A 44 -2.533 -3.827 1.885 1.00 0.00 C ATOM 663 CD2 LEU A 44 -2.356 -4.407 -0.578 1.00 0.00 C ATOM 0 H LEU A 44 -0.780 -7.819 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.368 -5.246 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.521 -6.944 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.680 -6.560 2.101 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.915 -4.972 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.971 -2.870 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.961 -4.156 2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.454 -3.715 1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.797 -3.438 -0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.269 -4.321 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.662 -5.136 -1.329 1.00 0.00 H new ATOM 675 N VAL A 45 -0.149 -5.694 3.589 1.00 0.00 N ATOM 676 CA VAL A 45 0.283 -5.942 4.955 1.00 0.00 C ATOM 677 C VAL A 45 -0.634 -5.187 5.920 1.00 0.00 C ATOM 678 O VAL A 45 -0.751 -3.965 5.844 1.00 0.00 O ATOM 679 CB VAL A 45 1.757 -5.565 5.114 1.00 0.00 C ATOM 680 CG1 VAL A 45 2.194 -5.666 6.577 1.00 0.00 C ATOM 681 CG2 VAL A 45 2.644 -6.430 4.216 1.00 0.00 C ATOM 0 H VAL A 45 -0.364 -4.719 3.380 1.00 0.00 H new ATOM 0 HA VAL A 45 0.205 -7.003 5.194 1.00 0.00 H new ATOM 0 HB VAL A 45 1.873 -4.528 4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.246 -5.393 6.662 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.593 -4.989 7.184 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.055 -6.688 6.928 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.687 -6.142 4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.521 -7.479 4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.357 -6.286 3.174 1.00 0.00 H new ATOM 691 N ASP A 46 -1.262 -5.948 6.805 1.00 0.00 N ATOM 692 CA ASP A 46 -2.165 -5.366 7.784 1.00 0.00 C ATOM 693 C ASP A 46 -1.361 -4.896 8.997 1.00 0.00 C ATOM 694 O ASP A 46 -0.903 -5.710 9.797 1.00 0.00 O ATOM 695 CB ASP A 46 -3.190 -6.394 8.266 1.00 0.00 C ATOM 696 CG ASP A 46 -4.158 -5.889 9.338 1.00 0.00 C ATOM 697 OD1 ASP A 46 -3.961 -4.737 9.782 1.00 0.00 O ATOM 698 OD2 ASP A 46 -5.072 -6.666 9.689 1.00 0.00 O ATOM 0 H ASP A 46 -1.163 -6.961 6.865 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.684 -4.533 7.311 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.768 -6.738 7.408 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.657 -7.260 8.658 1.00 0.00 H new ATOM 703 N ILE A 47 -1.213 -3.583 9.096 1.00 0.00 N ATOM 704 CA ILE A 47 -0.472 -2.994 10.198 1.00 0.00 C ATOM 705 C ILE A 47 -1.286 -3.134 11.487 1.00 0.00 C ATOM 706 O ILE A 47 -0.769 -3.592 12.505 1.00 0.00 O ATOM 707 CB ILE A 47 -0.082 -1.551 9.872 1.00 0.00 C ATOM 708 CG1 ILE A 47 -1.306 -0.634 9.893 1.00 0.00 C ATOM 709 CG2 ILE A 47 0.669 -1.474 8.541 1.00 0.00 C ATOM 710 CD1 ILE A 47 -0.936 0.785 9.456 1.00 0.00 C ATOM 0 H ILE A 47 -1.594 -2.910 8.431 1.00 0.00 H new ATOM 0 HA ILE A 47 0.467 -3.526 10.353 1.00 0.00 H new ATOM 0 HB ILE A 47 0.598 -1.197 10.647 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.075 -1.033 9.232 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.730 -0.610 10.897 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.935 -0.438 8.333 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.576 -2.076 8.599 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.032 -1.853 7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.824 1.416 9.480 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.185 1.190 10.134 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.535 0.761 8.443 1.00 0.00 H new ATOM 722 N SER A 48 -2.545 -2.732 11.400 1.00 0.00 N ATOM 723 CA SER A 48 -3.435 -2.807 12.547 1.00 0.00 C ATOM 724 C SER A 48 -3.282 -4.162 13.240 1.00 0.00 C ATOM 725 O SER A 48 -3.262 -4.236 14.468 1.00 0.00 O ATOM 726 CB SER A 48 -4.890 -2.585 12.129 1.00 0.00 C ATOM 727 OG SER A 48 -5.785 -2.695 13.233 1.00 0.00 O ATOM 0 H SER A 48 -2.970 -2.353 10.554 1.00 0.00 H new ATOM 0 HA SER A 48 -3.161 -2.016 13.246 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.991 -1.598 11.677 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.164 -3.314 11.366 1.00 0.00 H new ATOM 0 HG SER A 48 -6.519 -3.301 13.000 1.00 0.00 H new ATOM 733 N GLN A 49 -3.178 -5.200 12.424 1.00 0.00 N ATOM 734 CA GLN A 49 -3.027 -6.548 12.943 1.00 0.00 C ATOM 735 C GLN A 49 -2.010 -6.567 14.086 1.00 0.00 C ATOM 736 O GLN A 49 -2.317 -7.016 15.189 1.00 0.00 O ATOM 737 CB GLN A 49 -2.623 -7.522 11.834 1.00 0.00 C ATOM 738 CG GLN A 49 -3.733 -8.539 11.565 1.00 0.00 C ATOM 739 CD GLN A 49 -3.763 -9.617 12.650 1.00 0.00 C ATOM 740 OE1 GLN A 49 -3.224 -9.460 13.733 1.00 0.00 O ATOM 741 NE2 GLN A 49 -4.422 -10.718 12.301 1.00 0.00 N ATOM 0 H GLN A 49 -3.195 -5.134 11.406 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.991 -6.874 13.334 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.404 -6.968 10.921 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.709 -8.043 12.118 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.696 -8.030 11.526 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.578 -9.003 10.591 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.851 -10.785 11.378 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.499 -11.496 12.957 1.00 0.00 H new ATOM 750 N ASP A 50 -0.818 -6.072 13.783 1.00 0.00 N ATOM 751 CA ASP A 50 0.246 -6.025 14.771 1.00 0.00 C ATOM 752 C ASP A 50 0.757 -4.588 14.897 1.00 0.00 C ATOM 753 O ASP A 50 1.165 -3.982 13.908 1.00 0.00 O ATOM 754 CB ASP A 50 1.423 -6.910 14.355 1.00 0.00 C ATOM 755 CG ASP A 50 1.974 -7.814 15.460 1.00 0.00 C ATOM 756 OD1 ASP A 50 2.544 -7.253 16.421 1.00 0.00 O ATOM 757 OD2 ASP A 50 1.814 -9.045 15.318 1.00 0.00 O ATOM 0 H ASP A 50 -0.566 -5.700 12.867 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.158 -6.383 15.718 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.111 -7.534 13.518 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.229 -6.271 13.993 1.00 0.00 H new ATOM 762 N ASN A 51 0.717 -4.085 16.122 1.00 0.00 N ATOM 763 CA ASN A 51 1.170 -2.731 16.390 1.00 0.00 C ATOM 764 C ASN A 51 2.590 -2.557 15.847 1.00 0.00 C ATOM 765 O ASN A 51 2.915 -1.519 15.271 1.00 0.00 O ATOM 766 CB ASN A 51 1.201 -2.448 17.894 1.00 0.00 C ATOM 767 CG ASN A 51 2.025 -3.504 18.634 1.00 0.00 C ATOM 768 OD1 ASN A 51 3.245 -3.474 18.655 1.00 0.00 O ATOM 769 ND2 ASN A 51 1.293 -4.437 19.237 1.00 0.00 N ATOM 0 H ASN A 51 0.378 -4.591 16.940 1.00 0.00 H new ATOM 0 HA ASN A 51 0.477 -2.041 15.908 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.625 -1.460 18.073 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.184 -2.435 18.286 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.750 -5.187 19.757 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.275 -4.403 19.180 1.00 0.00 H new ATOM 776 N ALA A 52 3.398 -3.587 16.050 1.00 0.00 N ATOM 777 CA ALA A 52 4.775 -3.560 15.588 1.00 0.00 C ATOM 778 C ALA A 52 4.816 -3.033 14.152 1.00 0.00 C ATOM 779 O ALA A 52 5.737 -2.307 13.780 1.00 0.00 O ATOM 780 CB ALA A 52 5.383 -4.959 15.713 1.00 0.00 C ATOM 0 H ALA A 52 3.125 -4.446 16.528 1.00 0.00 H new ATOM 0 HA ALA A 52 5.373 -2.888 16.203 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.416 -4.939 15.366 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.356 -5.276 16.756 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.810 -5.660 15.106 1.00 0.00 H new ATOM 786 N LEU A 53 3.807 -3.418 13.385 1.00 0.00 N ATOM 787 CA LEU A 53 3.717 -2.993 11.998 1.00 0.00 C ATOM 788 C LEU A 53 3.403 -1.496 11.948 1.00 0.00 C ATOM 789 O LEU A 53 4.107 -0.733 11.289 1.00 0.00 O ATOM 790 CB LEU A 53 2.711 -3.859 11.237 1.00 0.00 C ATOM 791 CG LEU A 53 3.117 -5.316 11.011 1.00 0.00 C ATOM 792 CD1 LEU A 53 1.890 -6.230 10.988 1.00 0.00 C ATOM 793 CD2 LEU A 53 3.962 -5.460 9.743 1.00 0.00 C ATOM 0 H LEU A 53 3.045 -4.020 13.697 1.00 0.00 H new ATOM 0 HA LEU A 53 4.672 -3.136 11.492 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.766 -3.846 11.780 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.527 -3.399 10.266 1.00 0.00 H new ATOM 0 HG LEU A 53 3.738 -5.631 11.850 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.207 -7.260 10.826 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.364 -6.158 11.940 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.224 -5.924 10.182 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.237 -6.506 9.606 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.387 -5.120 8.882 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.865 -4.857 9.837 1.00 0.00 H new ATOM 805 N ARG A 54 2.345 -1.122 12.652 1.00 0.00 N ATOM 806 CA ARG A 54 1.929 0.269 12.696 1.00 0.00 C ATOM 807 C ARG A 54 3.137 1.177 12.933 1.00 0.00 C ATOM 808 O ARG A 54 3.394 2.092 12.151 1.00 0.00 O ATOM 809 CB ARG A 54 0.900 0.502 13.803 1.00 0.00 C ATOM 810 CG ARG A 54 -0.340 -0.369 13.591 1.00 0.00 C ATOM 811 CD ARG A 54 -1.564 0.243 14.278 1.00 0.00 C ATOM 812 NE ARG A 54 -1.999 -0.620 15.399 1.00 0.00 N ATOM 813 CZ ARG A 54 -1.435 -0.613 16.614 1.00 0.00 C ATOM 814 NH1 ARG A 54 -0.410 0.211 16.873 1.00 0.00 N ATOM 815 NH2 ARG A 54 -1.895 -1.431 17.571 1.00 0.00 N ATOM 0 H ARG A 54 1.763 -1.759 13.197 1.00 0.00 H new ATOM 0 HA ARG A 54 1.473 0.509 11.736 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.346 0.277 14.772 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.612 1.553 13.821 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.534 -0.478 12.524 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.159 -1.369 13.986 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.323 1.240 14.648 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.376 0.357 13.559 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.777 -1.260 15.236 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.059 0.833 16.145 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.019 0.216 17.798 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.674 -2.059 17.374 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.466 -1.426 18.496 1.00 0.00 H new ATOM 829 N ASP A 55 3.847 0.894 14.015 1.00 0.00 N ATOM 830 CA ASP A 55 5.022 1.673 14.365 1.00 0.00 C ATOM 831 C ASP A 55 6.090 1.492 13.284 1.00 0.00 C ATOM 832 O ASP A 55 6.636 2.469 12.775 1.00 0.00 O ATOM 833 CB ASP A 55 5.614 1.210 15.697 1.00 0.00 C ATOM 834 CG ASP A 55 6.343 2.294 16.493 1.00 0.00 C ATOM 835 OD1 ASP A 55 7.391 2.757 15.994 1.00 0.00 O ATOM 836 OD2 ASP A 55 5.836 2.635 17.584 1.00 0.00 O ATOM 0 H ASP A 55 3.631 0.135 14.661 1.00 0.00 H new ATOM 0 HA ASP A 55 4.721 2.717 14.448 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.811 0.806 16.313 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.309 0.393 15.504 1.00 0.00 H new ATOM 841 N GLU A 56 6.356 0.233 12.966 1.00 0.00 N ATOM 842 CA GLU A 56 7.349 -0.089 11.956 1.00 0.00 C ATOM 843 C GLU A 56 7.156 0.795 10.722 1.00 0.00 C ATOM 844 O GLU A 56 8.061 1.534 10.336 1.00 0.00 O ATOM 845 CB GLU A 56 7.290 -1.572 11.583 1.00 0.00 C ATOM 846 CG GLU A 56 8.221 -2.399 12.472 1.00 0.00 C ATOM 847 CD GLU A 56 8.193 -3.875 12.071 1.00 0.00 C ATOM 848 OE1 GLU A 56 8.470 -4.146 10.883 1.00 0.00 O ATOM 849 OE2 GLU A 56 7.896 -4.699 12.963 1.00 0.00 O ATOM 0 H GLU A 56 5.901 -0.575 13.390 1.00 0.00 H new ATOM 0 HA GLU A 56 8.338 0.109 12.370 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.267 -1.936 11.684 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.572 -1.699 10.538 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.239 -2.016 12.394 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.921 -2.296 13.515 1.00 0.00 H new ATOM 856 N MET A 57 5.972 0.689 10.136 1.00 0.00 N ATOM 857 CA MET A 57 5.650 1.470 8.954 1.00 0.00 C ATOM 858 C MET A 57 6.110 2.920 9.112 1.00 0.00 C ATOM 859 O MET A 57 6.896 3.417 8.306 1.00 0.00 O ATOM 860 CB MET A 57 4.139 1.437 8.717 1.00 0.00 C ATOM 861 CG MET A 57 3.762 2.238 7.469 1.00 0.00 C ATOM 862 SD MET A 57 2.163 3.001 7.693 1.00 0.00 S ATOM 863 CE MET A 57 2.487 3.976 9.152 1.00 0.00 C ATOM 0 H MET A 57 5.224 0.074 10.458 1.00 0.00 H new ATOM 0 HA MET A 57 6.171 1.035 8.101 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.807 0.405 8.605 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.622 1.845 9.585 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.515 3.002 7.276 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.743 1.583 6.598 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.734 4.759 9.241 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.450 3.336 10.033 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.475 4.430 9.074 1.00 0.00 H new ATOM 873 N ARG A 58 5.602 3.558 10.156 1.00 0.00 N ATOM 874 CA ARG A 58 5.952 4.942 10.430 1.00 0.00 C ATOM 875 C ARG A 58 7.470 5.126 10.380 1.00 0.00 C ATOM 876 O ARG A 58 7.977 5.916 9.586 1.00 0.00 O ATOM 877 CB ARG A 58 5.437 5.378 11.803 1.00 0.00 C ATOM 878 CG ARG A 58 4.066 6.048 11.687 1.00 0.00 C ATOM 879 CD ARG A 58 3.145 5.612 12.828 1.00 0.00 C ATOM 880 NE ARG A 58 3.843 5.754 14.126 1.00 0.00 N ATOM 881 CZ ARG A 58 3.231 5.707 15.317 1.00 0.00 C ATOM 882 NH1 ARG A 58 1.906 5.521 15.383 1.00 0.00 N ATOM 883 NH2 ARG A 58 3.945 5.846 16.442 1.00 0.00 N ATOM 0 H ARG A 58 4.951 3.143 10.822 1.00 0.00 H new ATOM 0 HA ARG A 58 5.483 5.561 9.665 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.368 4.512 12.461 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.146 6.069 12.259 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.184 7.131 11.704 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.612 5.792 10.730 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.238 6.217 12.826 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.838 4.576 12.683 1.00 0.00 H new ATOM 0 HE ARG A 58 4.853 5.897 14.113 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.363 5.415 14.526 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.441 5.485 16.290 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.954 5.988 16.392 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.480 5.810 17.349 1.00 0.00 H new ATOM 897 N THR A 59 8.153 4.383 11.239 1.00 0.00 N ATOM 898 CA THR A 59 9.602 4.454 11.303 1.00 0.00 C ATOM 899 C THR A 59 10.201 4.398 9.896 1.00 0.00 C ATOM 900 O THR A 59 10.976 5.272 9.512 1.00 0.00 O ATOM 901 CB THR A 59 10.091 3.329 12.217 1.00 0.00 C ATOM 902 OG1 THR A 59 9.851 3.822 13.533 1.00 0.00 O ATOM 903 CG2 THR A 59 11.609 3.145 12.160 1.00 0.00 C ATOM 0 H THR A 59 7.729 3.729 11.897 1.00 0.00 H new ATOM 0 HA THR A 59 9.933 5.402 11.726 1.00 0.00 H new ATOM 0 HB THR A 59 9.602 2.396 11.937 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.138 3.154 14.190 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.903 2.334 12.827 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.908 2.902 11.140 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.099 4.067 12.472 1.00 0.00 H new ATOM 911 N LEU A 60 9.820 3.359 9.167 1.00 0.00 N ATOM 912 CA LEU A 60 10.310 3.177 7.811 1.00 0.00 C ATOM 913 C LEU A 60 10.144 4.484 7.033 1.00 0.00 C ATOM 914 O LEU A 60 11.098 4.981 6.436 1.00 0.00 O ATOM 915 CB LEU A 60 9.627 1.978 7.151 1.00 0.00 C ATOM 916 CG LEU A 60 10.159 0.600 7.551 1.00 0.00 C ATOM 917 CD1 LEU A 60 9.213 -0.509 7.085 1.00 0.00 C ATOM 918 CD2 LEU A 60 11.584 0.391 7.035 1.00 0.00 C ATOM 0 H LEU A 60 9.178 2.635 9.490 1.00 0.00 H new ATOM 0 HA LEU A 60 11.375 2.944 7.819 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.563 2.017 7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.720 2.082 6.070 1.00 0.00 H new ATOM 0 HG LEU A 60 10.200 0.553 8.639 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.614 -1.478 7.382 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.233 -0.367 7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.117 -0.473 6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.938 -0.596 7.333 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.592 0.466 5.948 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.239 1.154 7.456 1.00 0.00 H new ATOM 930 N ALA A 61 8.925 5.004 7.066 1.00 0.00 N ATOM 931 CA ALA A 61 8.622 6.243 6.371 1.00 0.00 C ATOM 932 C ALA A 61 9.515 7.360 6.916 1.00 0.00 C ATOM 933 O ALA A 61 9.905 8.264 6.178 1.00 0.00 O ATOM 934 CB ALA A 61 7.133 6.562 6.522 1.00 0.00 C ATOM 0 H ALA A 61 8.137 4.590 7.563 1.00 0.00 H new ATOM 0 HA ALA A 61 8.829 6.146 5.305 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.905 7.492 6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.542 5.752 6.094 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.889 6.670 7.579 1.00 0.00 H new ATOM 940 N GLY A 62 9.814 7.261 8.203 1.00 0.00 N ATOM 941 CA GLY A 62 10.654 8.251 8.854 1.00 0.00 C ATOM 942 C GLY A 62 9.805 9.313 9.556 1.00 0.00 C ATOM 943 O GLY A 62 10.145 10.495 9.538 1.00 0.00 O ATOM 0 H GLY A 62 9.489 6.510 8.812 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.304 7.762 9.580 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.301 8.726 8.116 1.00 0.00 H new ATOM 947 N ASN A 63 8.718 8.854 10.158 1.00 0.00 N ATOM 948 CA ASN A 63 7.819 9.749 10.865 1.00 0.00 C ATOM 949 C ASN A 63 6.735 8.928 11.566 1.00 0.00 C ATOM 950 O ASN A 63 6.154 8.023 10.970 1.00 0.00 O ATOM 951 CB ASN A 63 7.130 10.714 9.897 1.00 0.00 C ATOM 952 CG ASN A 63 6.675 11.983 10.620 1.00 0.00 C ATOM 953 OD1 ASN A 63 7.385 12.556 11.430 1.00 0.00 O ATOM 954 ND2 ASN A 63 5.454 12.389 10.283 1.00 0.00 N ATOM 0 H ASN A 63 8.440 7.873 10.171 1.00 0.00 H new ATOM 0 HA ASN A 63 8.407 10.318 11.585 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.815 10.976 9.090 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.271 10.224 9.439 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.059 13.227 10.710 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.913 11.863 9.597 1.00 0.00 H new ATOM 961 N PRO A 64 6.489 9.283 12.856 1.00 0.00 N ATOM 962 CA PRO A 64 5.485 8.589 13.645 1.00 0.00 C ATOM 963 C PRO A 64 4.074 9.006 13.225 1.00 0.00 C ATOM 964 O PRO A 64 3.135 8.217 13.324 1.00 0.00 O ATOM 965 CB PRO A 64 5.805 8.944 15.088 1.00 0.00 C ATOM 966 CG PRO A 64 6.680 10.186 15.028 1.00 0.00 C ATOM 967 CD PRO A 64 7.158 10.350 13.594 1.00 0.00 C ATOM 0 HA PRO A 64 5.508 7.509 13.500 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.894 9.135 15.654 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.324 8.125 15.586 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.118 11.064 15.346 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.529 10.088 15.705 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.894 11.331 13.198 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.242 10.260 13.525 1.00 0.00 H new ATOM 975 N LYS A 65 3.969 10.244 12.764 1.00 0.00 N ATOM 976 CA LYS A 65 2.688 10.774 12.329 1.00 0.00 C ATOM 977 C LYS A 65 2.317 10.155 10.980 1.00 0.00 C ATOM 978 O LYS A 65 1.172 10.255 10.541 1.00 0.00 O ATOM 979 CB LYS A 65 2.718 12.304 12.317 1.00 0.00 C ATOM 980 CG LYS A 65 1.870 12.860 11.171 1.00 0.00 C ATOM 981 CD LYS A 65 0.382 12.598 11.413 1.00 0.00 C ATOM 982 CE LYS A 65 -0.338 13.880 11.836 1.00 0.00 C ATOM 983 NZ LYS A 65 -1.464 14.168 10.920 1.00 0.00 N ATOM 0 H LYS A 65 4.750 10.895 12.682 1.00 0.00 H new ATOM 0 HA LYS A 65 1.902 10.499 13.033 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.346 12.686 13.268 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.746 12.650 12.214 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.043 13.932 11.073 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.176 12.400 10.231 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.074 12.203 10.505 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.264 11.838 12.186 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.708 13.777 12.856 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.363 14.715 11.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.942 15.041 11.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.102 14.287 9.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.140 13.378 10.942 1.00 0.00 H new ATOM 997 N ALA A 66 3.307 9.530 10.359 1.00 0.00 N ATOM 998 CA ALA A 66 3.098 8.895 9.069 1.00 0.00 C ATOM 999 C ALA A 66 1.829 8.042 9.124 1.00 0.00 C ATOM 1000 O ALA A 66 1.385 7.652 10.204 1.00 0.00 O ATOM 1001 CB ALA A 66 4.336 8.076 8.697 1.00 0.00 C ATOM 0 H ALA A 66 4.256 9.450 10.725 1.00 0.00 H new ATOM 0 HA ALA A 66 2.957 9.645 8.291 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.180 7.599 7.729 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.204 8.733 8.642 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.507 7.311 9.455 1.00 0.00 H new ATOM 1007 N THR A 67 1.282 7.776 7.948 1.00 0.00 N ATOM 1008 CA THR A 67 0.073 6.975 7.848 1.00 0.00 C ATOM 1009 C THR A 67 0.024 6.248 6.503 1.00 0.00 C ATOM 1010 O THR A 67 0.733 6.616 5.568 1.00 0.00 O ATOM 1011 CB THR A 67 -1.125 7.897 8.085 1.00 0.00 C ATOM 1012 OG1 THR A 67 -0.763 9.112 7.433 1.00 0.00 O ATOM 1013 CG2 THR A 67 -1.278 8.294 9.554 1.00 0.00 C ATOM 0 H THR A 67 1.653 8.101 7.055 1.00 0.00 H new ATOM 0 HA THR A 67 0.054 6.191 8.605 1.00 0.00 H new ATOM 0 HB THR A 67 -2.035 7.402 7.747 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.485 9.766 7.536 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.143 8.948 9.666 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.419 7.399 10.160 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.381 8.818 9.884 1.00 0.00 H new ATOM 1021 N PRO A 68 -0.843 5.201 6.448 1.00 0.00 N ATOM 1022 CA PRO A 68 -0.994 4.419 5.233 1.00 0.00 C ATOM 1023 C PRO A 68 -1.799 5.186 4.182 1.00 0.00 C ATOM 1024 O PRO A 68 -2.418 6.203 4.491 1.00 0.00 O ATOM 1025 CB PRO A 68 -1.670 3.131 5.675 1.00 0.00 C ATOM 1026 CG PRO A 68 -2.291 3.431 7.030 1.00 0.00 C ATOM 1027 CD PRO A 68 -1.699 4.737 7.535 1.00 0.00 C ATOM 0 HA PRO A 68 -0.041 4.207 4.749 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.430 2.822 4.957 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.949 2.316 5.747 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.375 3.511 6.944 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.086 2.622 7.731 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.479 5.464 7.762 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.128 4.585 8.451 1.00 0.00 H new ATOM 1035 N PRO A 69 -1.763 4.656 2.930 1.00 0.00 N ATOM 1036 CA PRO A 69 -1.006 3.449 2.650 1.00 0.00 C ATOM 1037 C PRO A 69 0.496 3.741 2.606 1.00 0.00 C ATOM 1038 O PRO A 69 0.918 4.873 2.840 1.00 0.00 O ATOM 1039 CB PRO A 69 -1.551 2.941 1.325 1.00 0.00 C ATOM 1040 CG PRO A 69 -2.261 4.123 0.686 1.00 0.00 C ATOM 1041 CD PRO A 69 -2.441 5.191 1.753 1.00 0.00 C ATOM 0 HA PRO A 69 -1.117 2.693 3.427 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -0.747 2.576 0.686 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.238 2.109 1.479 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -1.679 4.512 -0.149 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.227 3.817 0.285 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.004 6.140 1.441 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.496 5.376 1.954 1.00 0.00 H new ATOM 1049 N GLN A 70 1.260 2.702 2.305 1.00 0.00 N ATOM 1050 CA GLN A 70 2.705 2.833 2.228 1.00 0.00 C ATOM 1051 C GLN A 70 3.295 1.711 1.371 1.00 0.00 C ATOM 1052 O GLN A 70 3.200 0.538 1.727 1.00 0.00 O ATOM 1053 CB GLN A 70 3.330 2.843 3.624 1.00 0.00 C ATOM 1054 CG GLN A 70 4.133 4.124 3.856 1.00 0.00 C ATOM 1055 CD GLN A 70 3.314 5.149 4.644 1.00 0.00 C ATOM 1056 OE1 GLN A 70 2.745 4.860 5.683 1.00 0.00 O ATOM 1057 NE2 GLN A 70 3.288 6.359 4.093 1.00 0.00 N ATOM 0 H GLN A 70 0.906 1.765 2.111 1.00 0.00 H new ATOM 0 HA GLN A 70 2.939 3.787 1.755 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.547 2.759 4.378 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.980 1.976 3.742 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.049 3.890 4.399 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.430 4.550 2.898 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.787 6.533 3.221 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.769 7.113 4.543 1.00 0.00 H new ATOM 1066 N ILE A 71 3.891 2.112 0.257 1.00 0.00 N ATOM 1067 CA ILE A 71 4.496 1.155 -0.654 1.00 0.00 C ATOM 1068 C ILE A 71 5.955 0.927 -0.253 1.00 0.00 C ATOM 1069 O ILE A 71 6.680 1.880 0.030 1.00 0.00 O ATOM 1070 CB ILE A 71 4.320 1.610 -2.104 1.00 0.00 C ATOM 1071 CG1 ILE A 71 2.838 1.718 -2.469 1.00 0.00 C ATOM 1072 CG2 ILE A 71 5.082 0.692 -3.063 1.00 0.00 C ATOM 1073 CD1 ILE A 71 2.422 3.180 -2.641 1.00 0.00 C ATOM 0 H ILE A 71 3.968 3.086 -0.035 1.00 0.00 H new ATOM 0 HA ILE A 71 3.992 0.191 -0.584 1.00 0.00 H new ATOM 0 HB ILE A 71 4.749 2.607 -2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.646 1.170 -3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.233 1.253 -1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.940 1.037 -4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.144 0.710 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.705 -0.326 -2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.364 3.229 -2.900 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.593 3.719 -1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.012 3.635 -3.437 1.00 0.00 H new ATOM 1085 N VAL A 72 6.341 -0.340 -0.241 1.00 0.00 N ATOM 1086 CA VAL A 72 7.701 -0.704 0.121 1.00 0.00 C ATOM 1087 C VAL A 72 8.195 -1.807 -0.817 1.00 0.00 C ATOM 1088 O VAL A 72 7.473 -2.765 -1.090 1.00 0.00 O ATOM 1089 CB VAL A 72 7.760 -1.102 1.597 1.00 0.00 C ATOM 1090 CG1 VAL A 72 9.172 -0.916 2.158 1.00 0.00 C ATOM 1091 CG2 VAL A 72 6.735 -0.318 2.418 1.00 0.00 C ATOM 0 H VAL A 72 5.737 -1.127 -0.476 1.00 0.00 H new ATOM 0 HA VAL A 72 8.370 0.148 0.001 1.00 0.00 H new ATOM 0 HB VAL A 72 7.507 -2.160 1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.187 -1.206 3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.870 -1.539 1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.465 0.130 2.066 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.798 -0.620 3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.942 0.749 2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.733 -0.523 2.041 1.00 0.00 H new ATOM 1101 N ASN A 73 9.423 -1.637 -1.284 1.00 0.00 N ATOM 1102 CA ASN A 73 10.022 -2.606 -2.185 1.00 0.00 C ATOM 1103 C ASN A 73 11.298 -3.165 -1.551 1.00 0.00 C ATOM 1104 O ASN A 73 12.283 -2.445 -1.393 1.00 0.00 O ATOM 1105 CB ASN A 73 10.402 -1.958 -3.518 1.00 0.00 C ATOM 1106 CG ASN A 73 10.349 -2.977 -4.658 1.00 0.00 C ATOM 1107 OD1 ASN A 73 10.011 -2.456 -5.834 1.00 0.00 O flip ATOM 1108 ND2 ASN A 73 10.598 -4.158 -4.481 1.00 0.00 N flip ATOM 0 H ASN A 73 10.020 -0.842 -1.055 1.00 0.00 H new ATOM 0 HA ASN A 73 9.293 -3.396 -2.363 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.723 -1.132 -3.732 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.405 -1.536 -3.449 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.851 -4.492 -3.551 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.553 -4.811 -5.263 1.00 0.00 H new ATOM 1115 N GLY A 74 11.238 -4.443 -1.206 1.00 0.00 N ATOM 1116 CA GLY A 74 12.377 -5.106 -0.593 1.00 0.00 C ATOM 1117 C GLY A 74 12.991 -4.237 0.506 1.00 0.00 C ATOM 1118 O GLY A 74 14.210 -4.207 0.670 1.00 0.00 O ATOM 0 H GLY A 74 10.419 -5.037 -1.339 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.063 -6.062 -0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.128 -5.323 -1.352 1.00 0.00 H new ATOM 1122 N ASN A 75 12.119 -3.551 1.231 1.00 0.00 N ATOM 1123 CA ASN A 75 12.561 -2.683 2.309 1.00 0.00 C ATOM 1124 C ASN A 75 12.989 -1.334 1.730 1.00 0.00 C ATOM 1125 O ASN A 75 13.861 -0.665 2.283 1.00 0.00 O ATOM 1126 CB ASN A 75 13.761 -3.285 3.043 1.00 0.00 C ATOM 1127 CG ASN A 75 13.756 -2.886 4.521 1.00 0.00 C ATOM 1128 OD1 ASN A 75 13.626 -3.912 5.357 1.00 0.00 O flip ATOM 1129 ND2 ASN A 75 13.864 -1.725 4.877 1.00 0.00 N flip ATOM 0 H ASN A 75 11.109 -3.579 1.093 1.00 0.00 H new ATOM 0 HA ASN A 75 11.733 -2.565 3.008 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.738 -4.371 2.956 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.685 -2.947 2.574 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.961 -0.985 4.181 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.858 -1.493 5.870 1.00 0.00 H new ATOM 1136 N HIS A 76 12.356 -0.973 0.623 1.00 0.00 N ATOM 1137 CA HIS A 76 12.661 0.285 -0.037 1.00 0.00 C ATOM 1138 C HIS A 76 11.428 1.190 -0.010 1.00 0.00 C ATOM 1139 O HIS A 76 10.525 1.041 -0.832 1.00 0.00 O ATOM 1140 CB HIS A 76 13.186 0.042 -1.453 1.00 0.00 C ATOM 1141 CG HIS A 76 14.366 -0.899 -1.518 1.00 0.00 C ATOM 1142 ND1 HIS A 76 15.343 -0.943 -0.539 1.00 0.00 N ATOM 1143 CD2 HIS A 76 14.714 -1.829 -2.452 1.00 0.00 C ATOM 1144 CE1 HIS A 76 16.235 -1.862 -0.880 1.00 0.00 C ATOM 1145 NE2 HIS A 76 15.844 -2.409 -2.066 1.00 0.00 N ATOM 0 H HIS A 76 11.633 -1.530 0.167 1.00 0.00 H new ATOM 0 HA HIS A 76 13.458 0.798 0.501 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.379 -0.361 -2.064 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.472 0.998 -1.892 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.164 -2.056 -3.353 1.00 0.00 H new ATOM 0 HE1 HIS A 76 17.117 -2.130 -0.317 1.00 0.00 H new ATOM 0 HE2 HIS A 76 16.338 -3.143 -2.573 1.00 0.00 H new ATOM 1153 N TYR A 77 11.429 2.109 0.945 1.00 0.00 N ATOM 1154 CA TYR A 77 10.322 3.039 1.090 1.00 0.00 C ATOM 1155 C TYR A 77 10.133 3.870 -0.181 1.00 0.00 C ATOM 1156 O TYR A 77 10.931 4.760 -0.470 1.00 0.00 O ATOM 1157 CB TYR A 77 10.703 3.971 2.242 1.00 0.00 C ATOM 1158 CG TYR A 77 9.664 5.056 2.534 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.325 4.731 2.594 1.00 0.00 C ATOM 1160 CD2 TYR A 77 10.067 6.360 2.737 1.00 0.00 C ATOM 1161 CE1 TYR A 77 7.347 5.752 2.869 1.00 0.00 C ATOM 1162 CE2 TYR A 77 9.090 7.381 3.012 1.00 0.00 C ATOM 1163 CZ TYR A 77 7.778 7.027 3.064 1.00 0.00 C ATOM 1164 OH TYR A 77 6.855 7.991 3.324 1.00 0.00 O ATOM 0 H TYR A 77 12.179 2.229 1.626 1.00 0.00 H new ATOM 0 HA TYR A 77 9.392 2.502 1.276 1.00 0.00 H new ATOM 0 HB2 TYR A 77 10.855 3.376 3.142 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.656 4.447 2.011 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.010 3.710 2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 77 11.115 6.615 2.690 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.296 5.511 2.919 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.392 8.405 3.173 1.00 0.00 H new ATOM 0 HH TYR A 77 7.306 8.853 3.443 1.00 0.00 H new ATOM 1174 N CYS A 78 9.072 3.548 -0.907 1.00 0.00 N ATOM 1175 CA CYS A 78 8.768 4.253 -2.140 1.00 0.00 C ATOM 1176 C CYS A 78 8.241 5.644 -1.781 1.00 0.00 C ATOM 1177 O CYS A 78 8.835 6.653 -2.157 1.00 0.00 O ATOM 1178 CB CYS A 78 7.777 3.474 -3.008 1.00 0.00 C ATOM 1179 SG CYS A 78 8.496 1.859 -3.482 1.00 0.00 S ATOM 0 H CYS A 78 8.413 2.808 -0.665 1.00 0.00 H new ATOM 0 HA CYS A 78 9.674 4.352 -2.738 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.846 3.321 -2.463 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.533 4.049 -3.901 1.00 0.00 H new ATOM 0 HG CYS A 78 9.294 1.447 -2.542 1.00 0.00 H new ATOM 1185 N GLY A 79 7.131 5.652 -1.058 1.00 0.00 N ATOM 1186 CA GLY A 79 6.517 6.903 -0.643 1.00 0.00 C ATOM 1187 C GLY A 79 5.077 6.678 -0.177 1.00 0.00 C ATOM 1188 O GLY A 79 4.671 5.544 0.071 1.00 0.00 O ATOM 0 H GLY A 79 6.641 4.813 -0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.099 7.348 0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.529 7.611 -1.472 1.00 0.00 H new ATOM 1192 N ASP A 80 4.345 7.778 -0.070 1.00 0.00 N ATOM 1193 CA ASP A 80 2.960 7.715 0.363 1.00 0.00 C ATOM 1194 C ASP A 80 2.047 7.701 -0.865 1.00 0.00 C ATOM 1195 O ASP A 80 2.494 7.970 -1.979 1.00 0.00 O ATOM 1196 CB ASP A 80 2.592 8.934 1.211 1.00 0.00 C ATOM 1197 CG ASP A 80 2.933 10.286 0.583 1.00 0.00 C ATOM 1198 OD1 ASP A 80 3.381 10.273 -0.584 1.00 0.00 O ATOM 1199 OD2 ASP A 80 2.738 11.303 1.283 1.00 0.00 O ATOM 0 H ASP A 80 4.685 8.717 -0.276 1.00 0.00 H new ATOM 0 HA ASP A 80 2.833 6.810 0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.522 8.905 1.416 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.103 8.857 2.171 1.00 0.00 H new ATOM 1204 N TYR A 81 0.783 7.386 -0.620 1.00 0.00 N ATOM 1205 CA TYR A 81 -0.197 7.334 -1.691 1.00 0.00 C ATOM 1206 C TYR A 81 -0.027 8.516 -2.647 1.00 0.00 C ATOM 1207 O TYR A 81 -0.115 8.353 -3.863 1.00 0.00 O ATOM 1208 CB TYR A 81 -1.566 7.432 -1.016 1.00 0.00 C ATOM 1209 CG TYR A 81 -2.716 7.730 -1.980 1.00 0.00 C ATOM 1210 CD1 TYR A 81 -2.965 9.029 -2.375 1.00 0.00 C ATOM 1211 CD2 TYR A 81 -3.503 6.701 -2.454 1.00 0.00 C ATOM 1212 CE1 TYR A 81 -4.047 9.310 -3.283 1.00 0.00 C ATOM 1213 CE2 TYR A 81 -4.585 6.982 -3.362 1.00 0.00 C ATOM 1214 CZ TYR A 81 -4.804 8.273 -3.731 1.00 0.00 C ATOM 1215 OH TYR A 81 -5.826 8.538 -4.589 1.00 0.00 O ATOM 0 H TYR A 81 0.415 7.164 0.305 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.082 6.419 -2.272 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.773 6.495 -0.499 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.530 8.213 -0.257 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.349 9.834 -2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.308 5.685 -2.144 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.253 10.321 -3.601 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.208 6.186 -3.741 1.00 0.00 H new ATOM 0 HH TYR A 81 -5.900 7.812 -5.243 1.00 0.00 H new ATOM 1225 N GLU A 82 0.213 9.680 -2.061 1.00 0.00 N ATOM 1226 CA GLU A 82 0.395 10.889 -2.846 1.00 0.00 C ATOM 1227 C GLU A 82 1.471 10.673 -3.912 1.00 0.00 C ATOM 1228 O GLU A 82 1.194 10.763 -5.107 1.00 0.00 O ATOM 1229 CB GLU A 82 0.743 12.078 -1.948 1.00 0.00 C ATOM 1230 CG GLU A 82 -0.457 12.489 -1.093 1.00 0.00 C ATOM 1231 CD GLU A 82 -0.459 13.998 -0.840 1.00 0.00 C ATOM 1232 OE1 GLU A 82 -0.151 14.735 -1.802 1.00 0.00 O ATOM 1233 OE2 GLU A 82 -0.768 14.381 0.308 1.00 0.00 O ATOM 0 H GLU A 82 0.286 9.811 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.545 11.118 -3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.582 11.818 -1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.063 12.920 -2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.381 12.199 -1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.430 11.957 -0.142 1.00 0.00 H new ATOM 1240 N LEU A 83 2.678 10.392 -3.440 1.00 0.00 N ATOM 1241 CA LEU A 83 3.797 10.163 -4.338 1.00 0.00 C ATOM 1242 C LEU A 83 3.373 9.184 -5.435 1.00 0.00 C ATOM 1243 O LEU A 83 3.618 9.425 -6.616 1.00 0.00 O ATOM 1244 CB LEU A 83 5.029 9.710 -3.553 1.00 0.00 C ATOM 1245 CG LEU A 83 6.086 10.784 -3.286 1.00 0.00 C ATOM 1246 CD1 LEU A 83 5.575 11.818 -2.280 1.00 0.00 C ATOM 1247 CD2 LEU A 83 7.407 10.155 -2.840 1.00 0.00 C ATOM 0 H LEU A 83 2.905 10.318 -2.448 1.00 0.00 H new ATOM 0 HA LEU A 83 4.085 11.091 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.698 9.308 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.501 8.891 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 83 6.280 11.311 -4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.345 12.570 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.680 12.299 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.335 11.323 -1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.140 10.940 -2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.248 9.586 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.775 9.490 -3.621 1.00 0.00 H new ATOM 1259 N PHE A 84 2.745 8.099 -5.005 1.00 0.00 N ATOM 1260 CA PHE A 84 2.285 7.083 -5.936 1.00 0.00 C ATOM 1261 C PHE A 84 1.422 7.699 -7.039 1.00 0.00 C ATOM 1262 O PHE A 84 1.758 7.607 -8.219 1.00 0.00 O ATOM 1263 CB PHE A 84 1.436 6.094 -5.134 1.00 0.00 C ATOM 1264 CG PHE A 84 1.250 4.737 -5.817 1.00 0.00 C ATOM 1265 CD1 PHE A 84 2.327 3.941 -6.052 1.00 0.00 C ATOM 1266 CD2 PHE A 84 0.007 4.328 -6.189 1.00 0.00 C ATOM 1267 CE1 PHE A 84 2.154 2.682 -6.686 1.00 0.00 C ATOM 1268 CE2 PHE A 84 -0.166 3.070 -6.823 1.00 0.00 C ATOM 1269 CZ PHE A 84 0.911 2.273 -7.059 1.00 0.00 C ATOM 0 H PHE A 84 2.544 7.902 -4.025 1.00 0.00 H new ATOM 0 HA PHE A 84 3.139 6.598 -6.409 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.900 5.939 -4.160 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.456 6.536 -4.953 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.314 4.266 -5.757 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.848 4.961 -6.002 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.009 2.049 -6.872 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.153 2.745 -7.118 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.779 1.316 -7.542 1.00 0.00 H new ATOM 1279 N VAL A 85 0.328 8.314 -6.616 1.00 0.00 N ATOM 1280 CA VAL A 85 -0.586 8.946 -7.553 1.00 0.00 C ATOM 1281 C VAL A 85 0.208 9.841 -8.507 1.00 0.00 C ATOM 1282 O VAL A 85 0.005 9.796 -9.719 1.00 0.00 O ATOM 1283 CB VAL A 85 -1.677 9.702 -6.792 1.00 0.00 C ATOM 1284 CG1 VAL A 85 -1.428 11.211 -6.833 1.00 0.00 C ATOM 1285 CG2 VAL A 85 -3.064 9.359 -7.338 1.00 0.00 C ATOM 0 H VAL A 85 0.053 8.388 -5.637 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.093 8.194 -8.158 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.640 9.385 -5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.218 11.725 -6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.464 11.433 -6.375 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.425 11.551 -7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.821 9.910 -6.780 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.119 9.634 -8.391 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.242 8.289 -7.232 1.00 0.00 H new ATOM 1295 N GLU A 86 1.095 10.634 -7.923 1.00 0.00 N ATOM 1296 CA GLU A 86 1.920 11.538 -8.706 1.00 0.00 C ATOM 1297 C GLU A 86 2.563 10.792 -9.876 1.00 0.00 C ATOM 1298 O GLU A 86 2.336 11.134 -11.036 1.00 0.00 O ATOM 1299 CB GLU A 86 2.982 12.207 -7.831 1.00 0.00 C ATOM 1300 CG GLU A 86 2.666 13.688 -7.619 1.00 0.00 C ATOM 1301 CD GLU A 86 2.677 14.447 -8.948 1.00 0.00 C ATOM 1302 OE1 GLU A 86 3.783 14.582 -9.515 1.00 0.00 O ATOM 1303 OE2 GLU A 86 1.580 14.875 -9.366 1.00 0.00 O ATOM 0 H GLU A 86 1.260 10.669 -6.917 1.00 0.00 H new ATOM 0 HA GLU A 86 1.281 12.324 -9.110 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.035 11.701 -6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.961 12.104 -8.299 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.690 13.791 -7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.398 14.126 -6.940 1.00 0.00 H new ATOM 1310 N ALA A 87 3.352 9.785 -9.532 1.00 0.00 N ATOM 1311 CA ALA A 87 4.030 8.987 -10.540 1.00 0.00 C ATOM 1312 C ALA A 87 2.988 8.313 -11.435 1.00 0.00 C ATOM 1313 O ALA A 87 2.957 8.547 -12.642 1.00 0.00 O ATOM 1314 CB ALA A 87 4.952 7.976 -9.855 1.00 0.00 C ATOM 0 H ALA A 87 3.537 9.503 -8.569 1.00 0.00 H new ATOM 0 HA ALA A 87 4.652 9.618 -11.175 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.461 7.377 -10.611 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.691 8.506 -9.254 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.362 7.323 -9.212 1.00 0.00 H new ATOM 1320 N VAL A 88 2.160 7.489 -10.809 1.00 0.00 N ATOM 1321 CA VAL A 88 1.120 6.779 -11.534 1.00 0.00 C ATOM 1322 C VAL A 88 0.503 7.714 -12.577 1.00 0.00 C ATOM 1323 O VAL A 88 0.441 7.377 -13.758 1.00 0.00 O ATOM 1324 CB VAL A 88 0.090 6.215 -10.553 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -1.145 5.697 -11.293 1.00 0.00 C ATOM 1326 CG2 VAL A 88 0.707 5.119 -9.682 1.00 0.00 C ATOM 0 H VAL A 88 2.188 7.297 -9.808 1.00 0.00 H new ATOM 0 HA VAL A 88 1.540 5.927 -12.069 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.228 7.025 -9.897 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.861 5.302 -10.573 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.604 6.513 -11.851 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.851 4.907 -11.983 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.046 4.735 -8.993 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.066 4.309 -10.317 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.541 5.532 -9.114 1.00 0.00 H new ATOM 1336 N GLU A 89 0.062 8.870 -12.102 1.00 0.00 N ATOM 1337 CA GLU A 89 -0.548 9.855 -12.978 1.00 0.00 C ATOM 1338 C GLU A 89 0.477 10.371 -13.991 1.00 0.00 C ATOM 1339 O GLU A 89 0.156 10.555 -15.164 1.00 0.00 O ATOM 1340 CB GLU A 89 -1.150 11.007 -12.172 1.00 0.00 C ATOM 1341 CG GLU A 89 -2.289 10.514 -11.277 1.00 0.00 C ATOM 1342 CD GLU A 89 -3.586 11.268 -11.576 1.00 0.00 C ATOM 1343 OE1 GLU A 89 -3.994 11.250 -12.758 1.00 0.00 O ATOM 1344 OE2 GLU A 89 -4.142 11.844 -10.616 1.00 0.00 O ATOM 0 H GLU A 89 0.115 9.146 -11.122 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.360 9.374 -13.524 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.376 11.470 -11.560 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.522 11.775 -12.850 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.441 9.446 -11.431 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.018 10.650 -10.230 1.00 0.00 H new ATOM 1351 N GLN A 90 1.688 10.590 -13.501 1.00 0.00 N ATOM 1352 CA GLN A 90 2.761 11.081 -14.348 1.00 0.00 C ATOM 1353 C GLN A 90 3.233 9.979 -15.299 1.00 0.00 C ATOM 1354 O GLN A 90 4.102 10.209 -16.139 1.00 0.00 O ATOM 1355 CB GLN A 90 3.922 11.616 -13.508 1.00 0.00 C ATOM 1356 CG GLN A 90 3.653 13.051 -13.051 1.00 0.00 C ATOM 1357 CD GLN A 90 3.801 14.034 -14.215 1.00 0.00 C ATOM 1358 OE1 GLN A 90 4.435 13.755 -15.220 1.00 0.00 O ATOM 1359 NE2 GLN A 90 3.182 15.195 -14.024 1.00 0.00 N ATOM 0 H GLN A 90 1.950 10.436 -12.527 1.00 0.00 H new ATOM 0 HA GLN A 90 2.377 11.908 -14.945 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.072 10.976 -12.639 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.843 11.583 -14.091 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.648 13.122 -12.636 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.346 13.319 -12.254 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.669 15.363 -13.159 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.220 15.918 -14.743 1.00 0.00 H new ATOM 1368 N ASP A 91 2.641 8.805 -15.134 1.00 0.00 N ATOM 1369 CA ASP A 91 2.990 7.667 -15.966 1.00 0.00 C ATOM 1370 C ASP A 91 4.473 7.339 -15.778 1.00 0.00 C ATOM 1371 O ASP A 91 5.091 6.724 -16.645 1.00 0.00 O ATOM 1372 CB ASP A 91 2.759 7.976 -17.447 1.00 0.00 C ATOM 1373 CG ASP A 91 1.299 7.910 -17.901 1.00 0.00 C ATOM 1374 OD1 ASP A 91 0.555 7.102 -17.304 1.00 0.00 O ATOM 1375 OD2 ASP A 91 0.961 8.670 -18.834 1.00 0.00 O ATOM 0 H ASP A 91 1.921 8.618 -14.436 1.00 0.00 H new ATOM 0 HA ASP A 91 2.361 6.827 -15.670 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.145 8.973 -17.659 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.342 7.275 -18.044 1.00 0.00 H new ATOM 1380 N THR A 92 5.000 7.763 -14.638 1.00 0.00 N ATOM 1381 CA THR A 92 6.398 7.522 -14.325 1.00 0.00 C ATOM 1382 C THR A 92 6.521 6.658 -13.068 1.00 0.00 C ATOM 1383 O THR A 92 7.581 6.610 -12.445 1.00 0.00 O ATOM 1384 CB THR A 92 7.095 8.878 -14.201 1.00 0.00 C ATOM 1385 OG1 THR A 92 6.251 9.624 -13.329 1.00 0.00 O ATOM 1386 CG2 THR A 92 7.072 9.670 -15.510 1.00 0.00 C ATOM 0 H THR A 92 4.484 8.272 -13.920 1.00 0.00 H new ATOM 0 HA THR A 92 6.890 6.959 -15.118 1.00 0.00 H new ATOM 0 HB THR A 92 8.128 8.728 -13.886 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.630 10.517 -13.192 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.580 10.624 -15.367 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.581 9.101 -16.288 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.039 9.850 -15.808 1.00 0.00 H new ATOM 1394 N LEU A 93 5.423 5.997 -12.733 1.00 0.00 N ATOM 1395 CA LEU A 93 5.395 5.137 -11.562 1.00 0.00 C ATOM 1396 C LEU A 93 6.587 4.179 -11.610 1.00 0.00 C ATOM 1397 O LEU A 93 7.208 3.903 -10.584 1.00 0.00 O ATOM 1398 CB LEU A 93 4.043 4.431 -11.448 1.00 0.00 C ATOM 1399 CG LEU A 93 3.896 3.447 -10.286 1.00 0.00 C ATOM 1400 CD1 LEU A 93 4.677 2.159 -10.555 1.00 0.00 C ATOM 1401 CD2 LEU A 93 4.302 4.097 -8.962 1.00 0.00 C ATOM 0 H LEU A 93 4.546 6.040 -13.252 1.00 0.00 H new ATOM 0 HA LEU A 93 5.497 5.729 -10.652 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.266 5.190 -11.356 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.856 3.894 -12.378 1.00 0.00 H new ATOM 0 HG LEU A 93 2.844 3.174 -10.202 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.555 1.477 -9.713 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.299 1.687 -11.462 1.00 0.00 H new ATOM 0 HD13 LEU A 93 5.734 2.394 -10.682 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.188 3.376 -8.153 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.342 4.418 -9.018 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.665 4.961 -8.771 1.00 0.00 H new ATOM 1413 N GLN A 94 6.872 3.698 -12.811 1.00 0.00 N ATOM 1414 CA GLN A 94 7.979 2.777 -13.005 1.00 0.00 C ATOM 1415 C GLN A 94 9.263 3.358 -12.412 1.00 0.00 C ATOM 1416 O GLN A 94 10.174 2.616 -12.046 1.00 0.00 O ATOM 1417 CB GLN A 94 8.161 2.444 -14.487 1.00 0.00 C ATOM 1418 CG GLN A 94 7.130 1.412 -14.948 1.00 0.00 C ATOM 1419 CD GLN A 94 7.220 1.183 -16.459 1.00 0.00 C ATOM 1420 OE1 GLN A 94 7.674 2.027 -17.214 1.00 0.00 O ATOM 1421 NE2 GLN A 94 6.765 -0.002 -16.854 1.00 0.00 N ATOM 0 H GLN A 94 6.355 3.929 -13.660 1.00 0.00 H new ATOM 0 HA GLN A 94 7.749 1.848 -12.483 1.00 0.00 H new ATOM 0 HB2 GLN A 94 8.063 3.352 -15.082 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.167 2.059 -14.656 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.293 0.470 -14.424 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.128 1.752 -14.687 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.398 -0.662 -16.168 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.783 -0.251 -17.843 1.00 0.00 H new ATOM 1430 N GLU A 95 9.296 4.680 -12.334 1.00 0.00 N ATOM 1431 CA GLU A 95 10.455 5.369 -11.791 1.00 0.00 C ATOM 1432 C GLU A 95 10.373 5.422 -10.264 1.00 0.00 C ATOM 1433 O GLU A 95 11.326 5.061 -9.576 1.00 0.00 O ATOM 1434 CB GLU A 95 10.584 6.774 -12.383 1.00 0.00 C ATOM 1435 CG GLU A 95 12.009 7.034 -12.875 1.00 0.00 C ATOM 1436 CD GLU A 95 12.019 7.390 -14.363 1.00 0.00 C ATOM 1437 OE1 GLU A 95 11.922 6.443 -15.173 1.00 0.00 O ATOM 1438 OE2 GLU A 95 12.123 8.601 -14.656 1.00 0.00 O ATOM 0 H GLU A 95 8.539 5.293 -12.638 1.00 0.00 H new ATOM 0 HA GLU A 95 11.349 4.810 -12.068 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.883 6.890 -13.210 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.314 7.515 -11.631 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.453 7.846 -12.300 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.623 6.150 -12.705 1.00 0.00 H new ATOM 1445 N PHE A 96 9.226 5.875 -9.780 1.00 0.00 N ATOM 1446 CA PHE A 96 9.008 5.980 -8.347 1.00 0.00 C ATOM 1447 C PHE A 96 9.358 4.668 -7.642 1.00 0.00 C ATOM 1448 O PHE A 96 10.251 4.632 -6.797 1.00 0.00 O ATOM 1449 CB PHE A 96 7.521 6.275 -8.142 1.00 0.00 C ATOM 1450 CG PHE A 96 7.068 6.201 -6.682 1.00 0.00 C ATOM 1451 CD1 PHE A 96 7.596 7.052 -5.762 1.00 0.00 C ATOM 1452 CD2 PHE A 96 6.137 5.284 -6.305 1.00 0.00 C ATOM 1453 CE1 PHE A 96 7.176 6.984 -4.408 1.00 0.00 C ATOM 1454 CE2 PHE A 96 5.717 5.216 -4.950 1.00 0.00 C ATOM 1455 CZ PHE A 96 6.245 6.067 -4.030 1.00 0.00 C ATOM 0 H PHE A 96 8.438 6.174 -10.354 1.00 0.00 H new ATOM 0 HA PHE A 96 9.640 6.765 -7.930 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.301 7.270 -8.530 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.936 5.567 -8.730 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.335 7.780 -6.062 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.717 4.608 -7.035 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.596 7.660 -3.678 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.978 4.488 -4.650 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.925 6.015 -3.000 1.00 0.00 H new ATOM 1465 N LEU A 97 8.636 3.622 -8.015 1.00 0.00 N ATOM 1466 CA LEU A 97 8.858 2.311 -7.429 1.00 0.00 C ATOM 1467 C LEU A 97 10.291 1.862 -7.724 1.00 0.00 C ATOM 1468 O LEU A 97 11.126 2.667 -8.132 1.00 0.00 O ATOM 1469 CB LEU A 97 7.793 1.323 -7.906 1.00 0.00 C ATOM 1470 CG LEU A 97 6.340 1.717 -7.630 1.00 0.00 C ATOM 1471 CD1 LEU A 97 5.373 0.670 -8.187 1.00 0.00 C ATOM 1472 CD2 LEU A 97 6.115 1.969 -6.138 1.00 0.00 C ATOM 0 H LEU A 97 7.896 3.656 -8.716 1.00 0.00 H new ATOM 0 HA LEU A 97 8.754 2.356 -6.345 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.912 1.181 -8.980 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.983 0.359 -7.434 1.00 0.00 H new ATOM 0 HG LEU A 97 6.135 2.653 -8.149 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.347 0.974 -7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.513 0.582 -9.264 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.569 -0.293 -7.716 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.075 2.247 -5.969 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.344 1.063 -5.577 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.766 2.777 -5.803 1.00 0.00 H new ATOM 1484 N LYS A 98 10.530 0.577 -7.508 1.00 0.00 N ATOM 1485 CA LYS A 98 11.847 0.011 -7.746 1.00 0.00 C ATOM 1486 C LYS A 98 11.804 -0.860 -9.003 1.00 0.00 C ATOM 1487 O LYS A 98 12.214 -2.019 -8.975 1.00 0.00 O ATOM 1488 CB LYS A 98 12.345 -0.729 -6.503 1.00 0.00 C ATOM 1489 CG LYS A 98 13.810 -0.395 -6.215 1.00 0.00 C ATOM 1490 CD LYS A 98 13.926 0.847 -5.329 1.00 0.00 C ATOM 1491 CE LYS A 98 15.354 1.015 -4.805 1.00 0.00 C ATOM 1492 NZ LYS A 98 16.287 1.282 -5.922 1.00 0.00 N ATOM 0 H LYS A 98 9.834 -0.088 -7.171 1.00 0.00 H new ATOM 0 HA LYS A 98 12.573 0.802 -7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.731 -0.458 -5.644 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.235 -1.804 -6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.290 -1.242 -5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.340 -0.228 -7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.637 1.731 -5.897 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.234 0.766 -4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.391 1.836 -4.088 1.00 0.00 H new ATOM 0 HE3 LYS A 98 15.661 0.114 -4.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 17.232 1.494 -5.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 16.341 0.445 -6.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 15.945 2.095 -6.473 1.00 0.00 H new ATOM 1506 N LEU A 99 11.303 -0.267 -10.077 1.00 0.00 N ATOM 1507 CA LEU A 99 11.201 -0.974 -11.343 1.00 0.00 C ATOM 1508 C LEU A 99 12.239 -0.417 -12.319 1.00 0.00 C ATOM 1509 O LEU A 99 12.961 -1.176 -12.963 1.00 0.00 O ATOM 1510 CB LEU A 99 9.767 -0.918 -11.873 1.00 0.00 C ATOM 1511 CG LEU A 99 8.747 -1.793 -11.142 1.00 0.00 C ATOM 1512 CD1 LEU A 99 8.301 -1.139 -9.833 1.00 0.00 C ATOM 1513 CD2 LEU A 99 7.560 -2.127 -12.048 1.00 0.00 C ATOM 0 H LEU A 99 10.963 0.695 -10.097 1.00 0.00 H new ATOM 0 HA LEU A 99 11.426 -2.032 -11.208 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.425 0.116 -11.831 1.00 0.00 H new ATOM 0 HB3 LEU A 99 9.778 -1.208 -12.924 1.00 0.00 H new ATOM 0 HG LEU A 99 9.230 -2.735 -10.884 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.576 -1.782 -9.334 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.166 -0.995 -9.185 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.843 -0.173 -10.046 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.850 -2.750 -11.503 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.069 -1.205 -12.359 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.914 -2.665 -12.928 1.00 0.00 H new ATOM 1525 N ALA A 100 12.282 0.905 -12.397 1.00 0.00 N ATOM 1526 CA ALA A 100 13.220 1.573 -13.283 1.00 0.00 C ATOM 1527 C ALA A 100 13.753 2.833 -12.599 1.00 0.00 C ATOM 1528 O ALA A 100 13.781 3.906 -13.200 1.00 0.00 O ATOM 1529 CB ALA A 100 12.533 1.879 -14.616 1.00 0.00 C ATOM 0 H ALA A 100 11.682 1.532 -11.861 1.00 0.00 H new ATOM 0 HA ALA A 100 14.073 0.928 -13.496 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.236 2.380 -15.281 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.199 0.949 -15.075 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.674 2.527 -14.442 1.00 0.00 H new