USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=21 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 Set 1.1: A 70 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.7!) USER MOD Set 1.2: A 77 TYR OH : rot 180:sc= -0.0313 USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= -0.21 USER MOD Set 2.2: A 48 SER OG : rot 110:sc= -0.0537 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 40:sc= -2.04 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 -160:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -154:sc= -0.0394 (180deg=-0.344) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc=-0.00836 K(o=-0.0084,f=-0.63) USER MOD Single : A 28 GLN : amide:sc= -7.32! C(o=-7.3!,f=-9.9!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -111:sc= -2.95! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) 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 49 GLN : amide:sc= -0.0271 K(o=-0.027,f=-0.82) USER MOD Single : A 51 ASN : amide:sc= -0.0744 X(o=-0.074,f=0) USER MOD Single : A 57 MET CE :methyl 142:sc= -0.541 (180deg=-2.27!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.142 F(o=-0.78,f=-0.14) 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 73 ASN :FLIP amide:sc= -6.46! C(o=-7.9!,f=-6.5!) USER MOD Single : A 75 ASN : amide:sc= -0.0559 K(o=-0.056,f=-1.3) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 CYS SG : rot -120:sc= -2.95! USER MOD Single : A 81 TYR OH : rot -144:sc= 0.683 USER MOD Single : A 90 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.42) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.252 K(o=-0.25,f=-2.4!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLY A 10 10.082 -7.482 -3.928 1.00 0.00 N ATOM 104 CA GLY A 10 9.175 -7.752 -2.825 1.00 0.00 C ATOM 105 C GLY A 10 8.379 -6.501 -2.450 1.00 0.00 C ATOM 106 O GLY A 10 8.684 -5.842 -1.457 1.00 0.00 O ATOM 0 HA2 GLY A 10 8.490 -8.554 -3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.741 -8.100 -1.961 1.00 0.00 H new ATOM 110 N LEU A 11 7.375 -6.211 -3.264 1.00 0.00 N ATOM 111 CA LEU A 11 6.533 -5.050 -3.029 1.00 0.00 C ATOM 112 C LEU A 11 5.599 -5.332 -1.851 1.00 0.00 C ATOM 113 O LEU A 11 5.013 -6.410 -1.763 1.00 0.00 O ATOM 114 CB LEU A 11 5.801 -4.651 -4.312 1.00 0.00 C ATOM 115 CG LEU A 11 5.963 -3.195 -4.753 1.00 0.00 C ATOM 116 CD1 LEU A 11 5.255 -2.247 -3.783 1.00 0.00 C ATOM 117 CD2 LEU A 11 7.440 -2.837 -4.928 1.00 0.00 C ATOM 0 H LEU A 11 7.125 -6.760 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 11 7.141 -4.188 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.148 -5.295 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.738 -4.853 -4.178 1.00 0.00 H new ATOM 0 HG LEU A 11 5.485 -3.077 -5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.385 -1.218 -4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.192 -2.486 -3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.682 -2.360 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.528 -1.797 -5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.963 -2.976 -3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.884 -3.483 -5.686 1.00 0.00 H new ATOM 129 N ARG A 12 5.490 -4.344 -0.974 1.00 0.00 N ATOM 130 CA ARG A 12 4.637 -4.473 0.195 1.00 0.00 C ATOM 131 C ARG A 12 3.790 -3.212 0.375 1.00 0.00 C ATOM 132 O ARG A 12 4.316 -2.100 0.367 1.00 0.00 O ATOM 133 CB ARG A 12 5.467 -4.706 1.459 1.00 0.00 C ATOM 134 CG ARG A 12 6.418 -5.891 1.279 1.00 0.00 C ATOM 135 CD ARG A 12 6.417 -6.788 2.519 1.00 0.00 C ATOM 136 NE ARG A 12 7.806 -7.042 2.961 1.00 0.00 N ATOM 137 CZ ARG A 12 8.152 -7.986 3.847 1.00 0.00 C ATOM 138 NH1 ARG A 12 7.212 -8.771 4.391 1.00 0.00 N ATOM 139 NH2 ARG A 12 9.437 -8.145 4.190 1.00 0.00 N ATOM 0 H ARG A 12 5.978 -3.452 -1.050 1.00 0.00 H new ATOM 0 HA ARG A 12 3.986 -5.333 0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.039 -3.808 1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.805 -4.892 2.304 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.120 -6.471 0.406 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.428 -5.526 1.090 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.853 -6.313 3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.920 -7.732 2.295 1.00 0.00 H new ATOM 0 HE ARG A 12 8.547 -6.462 2.567 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.233 -8.650 4.131 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.475 -9.490 5.065 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.153 -7.547 3.777 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.700 -8.864 4.864 1.00 0.00 H new ATOM 153 N VAL A 13 2.492 -3.427 0.534 1.00 0.00 N ATOM 154 CA VAL A 13 1.567 -2.321 0.716 1.00 0.00 C ATOM 155 C VAL A 13 1.055 -2.322 2.158 1.00 0.00 C ATOM 156 O VAL A 13 0.222 -3.150 2.524 1.00 0.00 O ATOM 157 CB VAL A 13 0.442 -2.404 -0.318 1.00 0.00 C ATOM 158 CG1 VAL A 13 -0.785 -1.615 0.142 1.00 0.00 C ATOM 159 CG2 VAL A 13 0.921 -1.923 -1.689 1.00 0.00 C ATOM 0 H VAL A 13 2.059 -4.351 0.541 1.00 0.00 H new ATOM 0 HA VAL A 13 2.072 -1.369 0.551 1.00 0.00 H new ATOM 0 HB VAL A 13 0.151 -3.450 -0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.569 -1.691 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.147 -2.023 1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.514 -0.568 0.280 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.102 -1.992 -2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.252 -0.887 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.750 -2.546 -2.024 1.00 0.00 H new ATOM 169 N TYR A 14 1.575 -1.386 2.938 1.00 0.00 N ATOM 170 CA TYR A 14 1.180 -1.268 4.331 1.00 0.00 C ATOM 171 C TYR A 14 -0.201 -0.623 4.458 1.00 0.00 C ATOM 172 O TYR A 14 -0.331 0.597 4.373 1.00 0.00 O ATOM 173 CB TYR A 14 2.218 -0.356 4.988 1.00 0.00 C ATOM 174 CG TYR A 14 3.560 -1.037 5.263 1.00 0.00 C ATOM 175 CD1 TYR A 14 4.378 -1.400 4.213 1.00 0.00 C ATOM 176 CD2 TYR A 14 3.952 -1.289 6.563 1.00 0.00 C ATOM 177 CE1 TYR A 14 5.642 -2.041 4.473 1.00 0.00 C ATOM 178 CE2 TYR A 14 5.215 -1.930 6.822 1.00 0.00 C ATOM 179 CZ TYR A 14 5.997 -2.275 5.765 1.00 0.00 C ATOM 180 OH TYR A 14 7.190 -2.880 6.010 1.00 0.00 O ATOM 0 H TYR A 14 2.267 -0.702 2.632 1.00 0.00 H new ATOM 0 HA TYR A 14 1.130 -2.251 4.800 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.386 0.508 4.345 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.814 0.020 5.928 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.071 -1.204 3.196 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.311 -1.005 7.385 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.293 -2.329 3.661 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.534 -2.132 7.834 1.00 0.00 H new ATOM 0 HH TYR A 14 7.312 -2.982 6.977 1.00 0.00 H new ATOM 190 N SER A 15 -1.199 -1.472 4.659 1.00 0.00 N ATOM 191 CA SER A 15 -2.566 -1.000 4.798 1.00 0.00 C ATOM 192 C SER A 15 -3.118 -1.393 6.169 1.00 0.00 C ATOM 193 O SER A 15 -2.477 -2.135 6.911 1.00 0.00 O ATOM 194 CB SER A 15 -3.457 -1.558 3.687 1.00 0.00 C ATOM 195 OG SER A 15 -3.106 -2.895 3.342 1.00 0.00 O ATOM 0 H SER A 15 -1.088 -2.484 4.729 1.00 0.00 H new ATOM 0 HA SER A 15 -2.563 0.087 4.713 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.498 -1.528 4.008 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.377 -0.923 2.805 1.00 0.00 H new ATOM 0 HG SER A 15 -2.889 -3.396 4.155 1.00 0.00 H new ATOM 201 N THR A 16 -4.303 -0.877 6.465 1.00 0.00 N ATOM 202 CA THR A 16 -4.949 -1.165 7.734 1.00 0.00 C ATOM 203 C THR A 16 -6.381 -1.653 7.505 1.00 0.00 C ATOM 204 O THR A 16 -6.960 -1.413 6.447 1.00 0.00 O ATOM 205 CB THR A 16 -4.866 0.092 8.602 1.00 0.00 C ATOM 206 OG1 THR A 16 -5.666 -0.219 9.740 1.00 0.00 O ATOM 207 CG2 THR A 16 -5.574 1.290 7.966 1.00 0.00 C ATOM 0 H THR A 16 -4.832 -0.261 5.847 1.00 0.00 H new ATOM 0 HA THR A 16 -4.444 -1.975 8.261 1.00 0.00 H new ATOM 0 HB THR A 16 -3.820 0.341 8.781 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.666 0.542 10.357 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.485 2.156 8.622 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.114 1.516 7.004 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.628 1.053 7.818 1.00 0.00 H new ATOM 215 N SER A 17 -6.910 -2.328 8.515 1.00 0.00 N ATOM 216 CA SER A 17 -8.263 -2.852 8.437 1.00 0.00 C ATOM 217 C SER A 17 -9.164 -2.124 9.437 1.00 0.00 C ATOM 218 O SER A 17 -10.300 -1.777 9.116 1.00 0.00 O ATOM 219 CB SER A 17 -8.287 -4.359 8.700 1.00 0.00 C ATOM 220 OG SER A 17 -9.606 -4.836 8.951 1.00 0.00 O ATOM 0 H SER A 17 -6.426 -2.524 9.391 1.00 0.00 H new ATOM 0 HA SER A 17 -8.638 -2.681 7.428 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.869 -4.884 7.841 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.650 -4.588 9.554 1.00 0.00 H new ATOM 0 HG SER A 17 -9.579 -5.802 9.113 1.00 0.00 H new ATOM 226 N VAL A 18 -8.624 -1.915 10.628 1.00 0.00 N ATOM 227 CA VAL A 18 -9.364 -1.235 11.677 1.00 0.00 C ATOM 228 C VAL A 18 -8.836 0.193 11.825 1.00 0.00 C ATOM 229 O VAL A 18 -7.944 0.449 12.632 1.00 0.00 O ATOM 230 CB VAL A 18 -9.287 -2.038 12.977 1.00 0.00 C ATOM 231 CG1 VAL A 18 -9.967 -1.290 14.125 1.00 0.00 C ATOM 232 CG2 VAL A 18 -9.892 -3.432 12.797 1.00 0.00 C ATOM 0 H VAL A 18 -7.682 -2.205 10.890 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.420 -1.166 11.415 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.235 -2.160 13.233 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.898 -1.883 15.037 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.473 -0.331 14.277 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.016 -1.123 13.880 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.825 -3.982 13.736 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.938 -3.340 12.505 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.345 -3.969 12.022 1.00 0.00 H new ATOM 242 N THR A 19 -9.410 1.087 11.033 1.00 0.00 N ATOM 243 CA THR A 19 -9.009 2.483 11.065 1.00 0.00 C ATOM 244 C THR A 19 -10.239 3.390 11.135 1.00 0.00 C ATOM 245 O THR A 19 -10.280 4.326 11.933 1.00 0.00 O ATOM 246 CB THR A 19 -8.126 2.750 9.844 1.00 0.00 C ATOM 247 OG1 THR A 19 -7.952 4.164 9.844 1.00 0.00 O ATOM 248 CG2 THR A 19 -8.848 2.463 8.526 1.00 0.00 C ATOM 0 H THR A 19 -10.150 0.871 10.365 1.00 0.00 H new ATOM 0 HA THR A 19 -8.428 2.707 11.960 1.00 0.00 H new ATOM 0 HB THR A 19 -7.226 2.138 9.906 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.390 4.424 9.085 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.177 2.669 7.692 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.152 1.417 8.498 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.730 3.099 8.448 1.00 0.00 H new ATOM 256 N GLY A 20 -11.211 3.082 10.290 1.00 0.00 N ATOM 257 CA GLY A 20 -12.439 3.858 10.246 1.00 0.00 C ATOM 258 C GLY A 20 -12.150 5.324 9.919 1.00 0.00 C ATOM 259 O GLY A 20 -12.702 6.225 10.548 1.00 0.00 O ATOM 0 H GLY A 20 -11.174 2.305 9.630 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.111 3.440 9.496 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.951 3.790 11.206 1.00 0.00 H new ATOM 263 N SER A 21 -11.284 5.517 8.934 1.00 0.00 N ATOM 264 CA SER A 21 -10.915 6.858 8.515 1.00 0.00 C ATOM 265 C SER A 21 -11.507 7.157 7.136 1.00 0.00 C ATOM 266 O SER A 21 -11.508 8.305 6.693 1.00 0.00 O ATOM 267 CB SER A 21 -9.395 7.028 8.488 1.00 0.00 C ATOM 268 OG SER A 21 -8.884 7.469 9.743 1.00 0.00 O ATOM 0 H SER A 21 -10.828 4.767 8.415 1.00 0.00 H new ATOM 0 HA SER A 21 -11.320 7.566 9.238 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.929 6.080 8.220 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.124 7.746 7.714 1.00 0.00 H new ATOM 0 HG SER A 21 -7.997 7.864 9.614 1.00 0.00 H new ATOM 274 N ARG A 22 -11.996 6.105 6.496 1.00 0.00 N ATOM 275 CA ARG A 22 -12.590 6.241 5.177 1.00 0.00 C ATOM 276 C ARG A 22 -11.536 6.695 4.165 1.00 0.00 C ATOM 277 O ARG A 22 -11.060 5.897 3.359 1.00 0.00 O ATOM 278 CB ARG A 22 -13.741 7.249 5.192 1.00 0.00 C ATOM 279 CG ARG A 22 -14.890 6.755 6.073 1.00 0.00 C ATOM 280 CD ARG A 22 -16.219 7.381 5.642 1.00 0.00 C ATOM 281 NE ARG A 22 -16.689 6.756 4.386 1.00 0.00 N ATOM 282 CZ ARG A 22 -17.832 7.081 3.767 1.00 0.00 C ATOM 283 NH1 ARG A 22 -18.629 8.025 4.285 1.00 0.00 N ATOM 284 NH2 ARG A 22 -18.179 6.460 2.631 1.00 0.00 N ATOM 0 H ARG A 22 -11.993 5.155 6.866 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.981 5.266 4.887 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.383 8.210 5.560 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.101 7.411 4.176 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.959 5.669 6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.687 7.004 7.115 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.965 7.247 6.426 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.096 8.455 5.500 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.106 6.032 3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -18.366 8.496 5.150 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -19.499 8.273 3.814 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.573 5.740 2.238 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.049 6.707 2.160 1.00 0.00 H new ATOM 298 N GLU A 23 -11.202 7.975 4.240 1.00 0.00 N ATOM 299 CA GLU A 23 -10.214 8.545 3.341 1.00 0.00 C ATOM 300 C GLU A 23 -9.029 7.589 3.180 1.00 0.00 C ATOM 301 O GLU A 23 -8.672 7.220 2.062 1.00 0.00 O ATOM 302 CB GLU A 23 -9.748 9.916 3.835 1.00 0.00 C ATOM 303 CG GLU A 23 -10.368 11.038 3.001 1.00 0.00 C ATOM 304 CD GLU A 23 -11.858 11.196 3.313 1.00 0.00 C ATOM 305 OE1 GLU A 23 -12.156 11.782 4.376 1.00 0.00 O ATOM 306 OE2 GLU A 23 -12.664 10.726 2.482 1.00 0.00 O ATOM 0 H GLU A 23 -11.599 8.634 4.910 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.679 8.686 2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.023 10.042 4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.661 9.976 3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.849 11.975 3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.236 10.823 1.941 1.00 0.00 H new ATOM 313 N ILE A 24 -8.453 7.215 4.313 1.00 0.00 N ATOM 314 CA ILE A 24 -7.317 6.310 4.311 1.00 0.00 C ATOM 315 C ILE A 24 -7.678 5.047 3.527 1.00 0.00 C ATOM 316 O ILE A 24 -7.057 4.746 2.508 1.00 0.00 O ATOM 317 CB ILE A 24 -6.851 6.033 5.742 1.00 0.00 C ATOM 318 CG1 ILE A 24 -6.472 7.331 6.457 1.00 0.00 C ATOM 319 CG2 ILE A 24 -5.709 5.015 5.759 1.00 0.00 C ATOM 320 CD1 ILE A 24 -5.891 7.045 7.843 1.00 0.00 C ATOM 0 H ILE A 24 -8.752 7.522 5.238 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.466 6.767 3.806 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.683 5.594 6.293 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.744 7.880 5.860 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.351 7.968 6.552 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.396 4.836 6.788 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.049 4.079 5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.867 5.403 5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.630 7.985 8.329 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.630 6.518 8.446 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.998 6.428 7.743 1.00 0.00 H new ATOM 332 N LYS A 25 -8.680 4.341 4.031 1.00 0.00 N ATOM 333 CA LYS A 25 -9.130 3.118 3.389 1.00 0.00 C ATOM 334 C LYS A 25 -9.149 3.319 1.873 1.00 0.00 C ATOM 335 O LYS A 25 -8.610 2.501 1.128 1.00 0.00 O ATOM 336 CB LYS A 25 -10.476 2.674 3.968 1.00 0.00 C ATOM 337 CG LYS A 25 -10.351 2.345 5.457 1.00 0.00 C ATOM 338 CD LYS A 25 -11.593 2.800 6.225 1.00 0.00 C ATOM 339 CE LYS A 25 -12.571 1.640 6.423 1.00 0.00 C ATOM 340 NZ LYS A 25 -12.432 1.073 7.783 1.00 0.00 N ATOM 0 H LYS A 25 -9.192 4.593 4.876 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.436 2.303 3.593 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.215 3.463 3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.837 1.799 3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.213 1.271 5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.466 2.832 5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.299 3.202 7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.085 3.607 5.682 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.593 1.988 6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.383 0.866 5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.734 0.078 7.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.438 1.131 8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.026 1.611 8.446 1.00 0.00 H new ATOM 354 N SER A 26 -9.775 4.411 1.460 1.00 0.00 N ATOM 355 CA SER A 26 -9.870 4.730 0.046 1.00 0.00 C ATOM 356 C SER A 26 -8.488 4.644 -0.605 1.00 0.00 C ATOM 357 O SER A 26 -8.294 3.894 -1.560 1.00 0.00 O ATOM 358 CB SER A 26 -10.471 6.121 -0.166 1.00 0.00 C ATOM 359 OG SER A 26 -11.666 6.075 -0.941 1.00 0.00 O ATOM 0 H SER A 26 -10.222 5.086 2.080 1.00 0.00 H new ATOM 0 HA SER A 26 -10.532 4.002 -0.424 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.684 6.575 0.802 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.741 6.759 -0.664 1.00 0.00 H new ATOM 0 HG SER A 26 -12.019 6.982 -1.052 1.00 0.00 H new ATOM 365 N GLN A 27 -7.564 5.423 -0.061 1.00 0.00 N ATOM 366 CA GLN A 27 -6.206 5.444 -0.577 1.00 0.00 C ATOM 367 C GLN A 27 -5.653 4.021 -0.674 1.00 0.00 C ATOM 368 O GLN A 27 -4.914 3.700 -1.604 1.00 0.00 O ATOM 369 CB GLN A 27 -5.304 6.324 0.290 1.00 0.00 C ATOM 370 CG GLN A 27 -5.597 7.808 0.056 1.00 0.00 C ATOM 371 CD GLN A 27 -5.485 8.601 1.360 1.00 0.00 C ATOM 372 OE1 GLN A 27 -4.793 8.221 2.290 1.00 0.00 O ATOM 373 NE2 GLN A 27 -6.203 9.721 1.375 1.00 0.00 N ATOM 0 H GLN A 27 -7.729 6.044 0.731 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.225 5.875 -1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.455 6.081 1.342 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.259 6.116 0.062 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.899 8.209 -0.679 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.598 7.924 -0.359 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.761 9.980 0.561 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.196 10.321 2.200 1.00 0.00 H new ATOM 382 N GLN A 28 -6.032 3.205 0.298 1.00 0.00 N ATOM 383 CA GLN A 28 -5.583 1.823 0.334 1.00 0.00 C ATOM 384 C GLN A 28 -6.176 1.042 -0.841 1.00 0.00 C ATOM 385 O GLN A 28 -5.455 0.347 -1.555 1.00 0.00 O ATOM 386 CB GLN A 28 -5.943 1.164 1.667 1.00 0.00 C ATOM 387 CG GLN A 28 -5.344 1.941 2.841 1.00 0.00 C ATOM 388 CD GLN A 28 -6.043 1.576 4.153 1.00 0.00 C ATOM 389 OE1 GLN A 28 -6.344 2.420 4.981 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.282 0.276 4.295 1.00 0.00 N ATOM 0 H GLN A 28 -6.645 3.474 1.067 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.497 1.812 0.242 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.027 1.117 1.773 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.576 0.138 1.680 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.279 1.724 2.920 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.439 3.012 2.660 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.003 -0.377 3.562 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.744 -0.069 5.137 1.00 0.00 H new ATOM 399 N SER A 29 -7.483 1.183 -1.005 1.00 0.00 N ATOM 400 CA SER A 29 -8.180 0.500 -2.081 1.00 0.00 C ATOM 401 C SER A 29 -7.667 0.995 -3.435 1.00 0.00 C ATOM 402 O SER A 29 -7.463 0.202 -4.353 1.00 0.00 O ATOM 403 CB SER A 29 -9.692 0.709 -1.978 1.00 0.00 C ATOM 404 OG SER A 29 -10.370 -0.479 -1.579 1.00 0.00 O ATOM 0 H SER A 29 -8.078 1.760 -0.410 1.00 0.00 H new ATOM 0 HA SER A 29 -7.981 -0.568 -1.993 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.900 1.503 -1.261 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.078 1.040 -2.942 1.00 0.00 H new ATOM 0 HG SER A 29 -11.333 -0.303 -1.523 1.00 0.00 H new ATOM 410 N GLU A 30 -7.473 2.303 -3.516 1.00 0.00 N ATOM 411 CA GLU A 30 -6.987 2.913 -4.742 1.00 0.00 C ATOM 412 C GLU A 30 -5.688 2.240 -5.191 1.00 0.00 C ATOM 413 O GLU A 30 -5.648 1.598 -6.239 1.00 0.00 O ATOM 414 CB GLU A 30 -6.791 4.420 -4.565 1.00 0.00 C ATOM 415 CG GLU A 30 -7.902 5.203 -5.267 1.00 0.00 C ATOM 416 CD GLU A 30 -8.580 6.178 -4.302 1.00 0.00 C ATOM 417 OE1 GLU A 30 -7.853 6.727 -3.446 1.00 0.00 O ATOM 418 OE2 GLU A 30 -9.809 6.352 -4.442 1.00 0.00 O ATOM 0 H GLU A 30 -7.644 2.957 -2.752 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.737 2.767 -5.519 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.782 4.667 -3.503 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.822 4.714 -4.969 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.487 5.752 -6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.641 4.511 -5.669 1.00 0.00 H new ATOM 425 N VAL A 31 -4.658 2.410 -4.375 1.00 0.00 N ATOM 426 CA VAL A 31 -3.362 1.828 -4.676 1.00 0.00 C ATOM 427 C VAL A 31 -3.546 0.363 -5.077 1.00 0.00 C ATOM 428 O VAL A 31 -3.140 -0.042 -6.165 1.00 0.00 O ATOM 429 CB VAL A 31 -2.419 2.007 -3.484 1.00 0.00 C ATOM 430 CG1 VAL A 31 -1.123 1.219 -3.687 1.00 0.00 C ATOM 431 CG2 VAL A 31 -2.127 3.488 -3.234 1.00 0.00 C ATOM 0 H VAL A 31 -4.695 2.943 -3.506 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.900 2.341 -5.520 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.917 1.610 -2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.471 1.363 -2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.354 0.159 -3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.619 1.572 -4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.455 3.587 -2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.659 3.921 -4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.059 4.012 -3.024 1.00 0.00 H new ATOM 441 N THR A 32 -4.159 -0.391 -4.177 1.00 0.00 N ATOM 442 CA THR A 32 -4.402 -1.803 -4.423 1.00 0.00 C ATOM 443 C THR A 32 -5.070 -1.998 -5.786 1.00 0.00 C ATOM 444 O THR A 32 -4.886 -3.031 -6.429 1.00 0.00 O ATOM 445 CB THR A 32 -5.227 -2.351 -3.258 1.00 0.00 C ATOM 446 OG1 THR A 32 -6.231 -1.362 -3.048 1.00 0.00 O ATOM 447 CG2 THR A 32 -4.444 -2.371 -1.944 1.00 0.00 C ATOM 0 H THR A 32 -4.495 -0.051 -3.276 1.00 0.00 H new ATOM 0 HA THR A 32 -3.468 -2.363 -4.470 1.00 0.00 H new ATOM 0 HB THR A 32 -5.564 -3.360 -3.495 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.073 -0.912 -2.192 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.076 -2.769 -1.150 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.562 -3.001 -2.056 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.136 -1.357 -1.689 1.00 0.00 H new ATOM 455 N ARG A 33 -5.832 -0.991 -6.186 1.00 0.00 N ATOM 456 CA ARG A 33 -6.528 -1.039 -7.461 1.00 0.00 C ATOM 457 C ARG A 33 -5.525 -0.988 -8.615 1.00 0.00 C ATOM 458 O ARG A 33 -5.491 -1.889 -9.452 1.00 0.00 O ATOM 459 CB ARG A 33 -7.511 0.125 -7.596 1.00 0.00 C ATOM 460 CG ARG A 33 -8.616 -0.204 -8.601 1.00 0.00 C ATOM 461 CD ARG A 33 -9.841 0.686 -8.381 1.00 0.00 C ATOM 462 NE ARG A 33 -10.804 0.010 -7.483 1.00 0.00 N ATOM 463 CZ ARG A 33 -12.079 0.390 -7.327 1.00 0.00 C ATOM 464 NH1 ARG A 33 -12.553 1.443 -8.006 1.00 0.00 N ATOM 465 NH2 ARG A 33 -12.881 -0.284 -6.491 1.00 0.00 N ATOM 0 H ARG A 33 -5.983 -0.137 -5.650 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.085 -1.975 -7.500 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.953 0.347 -6.625 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.978 1.020 -7.916 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.241 -0.069 -9.616 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.901 -1.252 -8.503 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.535 1.639 -7.949 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.316 0.907 -9.337 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.476 -0.795 -6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.943 1.956 -8.642 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.524 1.732 -7.887 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.520 -1.086 -5.974 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.852 0.005 -6.372 1.00 0.00 H new ATOM 479 N ILE A 34 -4.734 0.074 -8.623 1.00 0.00 N ATOM 480 CA ILE A 34 -3.734 0.254 -9.662 1.00 0.00 C ATOM 481 C ILE A 34 -2.770 -0.934 -9.647 1.00 0.00 C ATOM 482 O ILE A 34 -2.560 -1.580 -10.672 1.00 0.00 O ATOM 483 CB ILE A 34 -3.041 1.610 -9.509 1.00 0.00 C ATOM 484 CG1 ILE A 34 -4.065 2.745 -9.448 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.010 1.827 -10.618 1.00 0.00 C ATOM 486 CD1 ILE A 34 -4.070 3.406 -8.068 1.00 0.00 C ATOM 0 H ILE A 34 -4.765 0.819 -7.927 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.205 0.271 -10.645 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.501 1.613 -8.562 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.834 3.489 -10.211 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.058 2.356 -9.672 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.532 2.798 -10.486 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.255 1.042 -10.572 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.507 1.796 -11.588 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.807 4.209 -8.052 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.325 2.665 -7.310 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.082 3.815 -7.857 1.00 0.00 H new ATOM 498 N LEU A 35 -2.209 -1.185 -8.473 1.00 0.00 N ATOM 499 CA LEU A 35 -1.272 -2.284 -8.311 1.00 0.00 C ATOM 500 C LEU A 35 -1.885 -3.560 -8.891 1.00 0.00 C ATOM 501 O LEU A 35 -1.172 -4.405 -9.431 1.00 0.00 O ATOM 502 CB LEU A 35 -0.849 -2.416 -6.847 1.00 0.00 C ATOM 503 CG LEU A 35 0.160 -1.381 -6.344 1.00 0.00 C ATOM 504 CD1 LEU A 35 -0.120 -0.004 -6.948 1.00 0.00 C ATOM 505 CD2 LEU A 35 0.189 -1.341 -4.815 1.00 0.00 C ATOM 0 H LEU A 35 -2.385 -0.646 -7.625 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.355 -2.088 -8.867 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.742 -2.356 -6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.424 -3.409 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 35 1.153 -1.683 -6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.611 0.713 -6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.049 -0.062 -8.034 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.122 0.320 -6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.914 -0.597 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.799 -1.076 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.473 -2.321 -4.431 1.00 0.00 H new ATOM 517 N ASP A 36 -3.200 -3.660 -8.761 1.00 0.00 N ATOM 518 CA ASP A 36 -3.916 -4.819 -9.266 1.00 0.00 C ATOM 519 C ASP A 36 -4.078 -4.692 -10.782 1.00 0.00 C ATOM 520 O ASP A 36 -3.876 -5.660 -11.514 1.00 0.00 O ATOM 521 CB ASP A 36 -5.312 -4.915 -8.648 1.00 0.00 C ATOM 522 CG ASP A 36 -6.205 -6.011 -9.234 1.00 0.00 C ATOM 523 OD1 ASP A 36 -5.671 -7.119 -9.456 1.00 0.00 O ATOM 524 OD2 ASP A 36 -7.400 -5.715 -9.448 1.00 0.00 O ATOM 0 H ASP A 36 -3.788 -2.957 -8.313 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.344 -5.709 -9.005 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.208 -5.087 -7.577 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.814 -3.955 -8.770 1.00 0.00 H new ATOM 529 N GLY A 37 -4.441 -3.492 -11.208 1.00 0.00 N ATOM 530 CA GLY A 37 -4.632 -3.226 -12.624 1.00 0.00 C ATOM 531 C GLY A 37 -3.333 -3.445 -13.403 1.00 0.00 C ATOM 532 O GLY A 37 -3.324 -4.138 -14.418 1.00 0.00 O ATOM 0 H GLY A 37 -4.608 -2.692 -10.598 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.411 -3.878 -13.018 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.975 -2.201 -12.762 1.00 0.00 H new ATOM 536 N LYS A 38 -2.269 -2.839 -12.897 1.00 0.00 N ATOM 537 CA LYS A 38 -0.967 -2.959 -13.533 1.00 0.00 C ATOM 538 C LYS A 38 -0.436 -4.380 -13.334 1.00 0.00 C ATOM 539 O LYS A 38 0.595 -4.745 -13.897 1.00 0.00 O ATOM 540 CB LYS A 38 -0.020 -1.871 -13.023 1.00 0.00 C ATOM 541 CG LYS A 38 -0.562 -0.477 -13.345 1.00 0.00 C ATOM 542 CD LYS A 38 0.469 0.348 -14.118 1.00 0.00 C ATOM 543 CE LYS A 38 0.088 1.829 -14.131 1.00 0.00 C ATOM 544 NZ LYS A 38 0.824 2.544 -15.198 1.00 0.00 N ATOM 0 H LYS A 38 -2.281 -2.264 -12.055 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.051 -2.798 -14.608 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.111 -1.974 -11.946 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.963 -1.997 -13.478 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.476 -0.565 -13.932 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.825 0.037 -12.421 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.452 0.226 -13.664 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.542 -0.021 -15.141 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.985 1.933 -14.289 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.313 2.277 -13.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.554 3.548 -15.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.847 2.460 -15.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.589 2.127 -16.121 1.00 0.00 H new ATOM 558 N ARG A 39 -1.164 -5.142 -12.531 1.00 0.00 N ATOM 559 CA ARG A 39 -0.778 -6.515 -12.251 1.00 0.00 C ATOM 560 C ARG A 39 0.603 -6.555 -11.595 1.00 0.00 C ATOM 561 O ARG A 39 1.407 -7.439 -11.886 1.00 0.00 O ATOM 562 CB ARG A 39 -0.752 -7.352 -13.531 1.00 0.00 C ATOM 563 CG ARG A 39 -2.166 -7.574 -14.072 1.00 0.00 C ATOM 564 CD ARG A 39 -2.705 -8.943 -13.652 1.00 0.00 C ATOM 565 NE ARG A 39 -2.970 -9.771 -14.850 1.00 0.00 N ATOM 566 CZ ARG A 39 -3.488 -11.006 -14.809 1.00 0.00 C ATOM 567 NH1 ARG A 39 -3.798 -11.564 -13.631 1.00 0.00 N ATOM 568 NH2 ARG A 39 -3.694 -11.683 -15.947 1.00 0.00 N ATOM 0 H ARG A 39 -2.018 -4.835 -12.066 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.519 -6.935 -11.571 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.145 -6.851 -14.285 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.281 -8.314 -13.331 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.828 -6.790 -13.703 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.159 -7.500 -15.159 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.985 -9.444 -13.005 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.621 -8.821 -13.074 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.744 -9.377 -15.763 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.640 -11.049 -12.765 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.192 -12.504 -13.600 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.456 -11.258 -16.843 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.088 -12.623 -15.917 1.00 0.00 H new ATOM 582 N ILE A 40 0.836 -5.587 -10.721 1.00 0.00 N ATOM 583 CA ILE A 40 2.107 -5.500 -10.021 1.00 0.00 C ATOM 584 C ILE A 40 2.152 -6.564 -8.923 1.00 0.00 C ATOM 585 O ILE A 40 1.121 -6.921 -8.355 1.00 0.00 O ATOM 586 CB ILE A 40 2.340 -4.078 -9.509 1.00 0.00 C ATOM 587 CG1 ILE A 40 2.665 -3.126 -10.662 1.00 0.00 C ATOM 588 CG2 ILE A 40 3.420 -4.055 -8.425 1.00 0.00 C ATOM 589 CD1 ILE A 40 2.549 -1.666 -10.218 1.00 0.00 C ATOM 0 H ILE A 40 0.166 -4.856 -10.481 1.00 0.00 H new ATOM 0 HA ILE A 40 2.933 -5.708 -10.702 1.00 0.00 H new ATOM 0 HB ILE A 40 1.416 -3.725 -9.051 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.674 -3.320 -11.025 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.986 -3.312 -11.494 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.566 -3.032 -8.078 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.109 -4.681 -7.588 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.355 -4.436 -8.835 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.785 -1.011 -11.057 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.532 -1.469 -9.878 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.247 -1.477 -9.402 1.00 0.00 H new ATOM 601 N GLN A 41 3.359 -7.043 -8.657 1.00 0.00 N ATOM 602 CA GLN A 41 3.553 -8.059 -7.637 1.00 0.00 C ATOM 603 C GLN A 41 3.851 -7.405 -6.286 1.00 0.00 C ATOM 604 O GLN A 41 4.931 -6.852 -6.084 1.00 0.00 O ATOM 605 CB GLN A 41 4.667 -9.029 -8.034 1.00 0.00 C ATOM 606 CG GLN A 41 4.110 -10.432 -8.283 1.00 0.00 C ATOM 607 CD GLN A 41 4.702 -11.440 -7.295 1.00 0.00 C ATOM 608 OE1 GLN A 41 5.518 -12.279 -7.638 1.00 0.00 O ATOM 609 NE2 GLN A 41 4.246 -11.311 -6.052 1.00 0.00 N ATOM 0 H GLN A 41 4.212 -6.746 -9.131 1.00 0.00 H new ATOM 0 HA GLN A 41 2.632 -8.634 -7.545 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.166 -8.667 -8.933 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.419 -9.067 -7.246 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.024 -10.418 -8.188 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.336 -10.741 -9.303 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.563 -10.586 -5.832 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.580 -11.937 -5.319 1.00 0.00 H new ATOM 618 N TYR A 42 2.874 -7.491 -5.395 1.00 0.00 N ATOM 619 CA TYR A 42 3.018 -6.915 -4.069 1.00 0.00 C ATOM 620 C TYR A 42 2.239 -7.725 -3.031 1.00 0.00 C ATOM 621 O TYR A 42 1.458 -8.607 -3.386 1.00 0.00 O ATOM 622 CB TYR A 42 2.420 -5.509 -4.153 1.00 0.00 C ATOM 623 CG TYR A 42 0.891 -5.479 -4.122 1.00 0.00 C ATOM 624 CD1 TYR A 42 0.221 -5.695 -2.935 1.00 0.00 C ATOM 625 CD2 TYR A 42 0.182 -5.237 -5.281 1.00 0.00 C ATOM 626 CE1 TYR A 42 -1.219 -5.667 -2.906 1.00 0.00 C ATOM 627 CE2 TYR A 42 -1.258 -5.210 -5.252 1.00 0.00 C ATOM 628 CZ TYR A 42 -1.887 -5.426 -4.066 1.00 0.00 C ATOM 629 OH TYR A 42 -3.246 -5.400 -4.038 1.00 0.00 O ATOM 0 H TYR A 42 1.980 -7.951 -5.566 1.00 0.00 H new ATOM 0 HA TYR A 42 4.065 -6.908 -3.766 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.801 -4.913 -3.324 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.764 -5.034 -5.072 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.776 -5.885 -2.028 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.707 -5.068 -6.210 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.756 -5.834 -1.984 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.825 -5.022 -6.152 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.588 -5.216 -4.938 1.00 0.00 H new ATOM 639 N GLN A 43 2.478 -7.398 -1.770 1.00 0.00 N ATOM 640 CA GLN A 43 1.809 -8.085 -0.678 1.00 0.00 C ATOM 641 C GLN A 43 1.179 -7.071 0.280 1.00 0.00 C ATOM 642 O GLN A 43 1.830 -6.111 0.689 1.00 0.00 O ATOM 643 CB GLN A 43 2.776 -9.011 0.062 1.00 0.00 C ATOM 644 CG GLN A 43 2.028 -10.174 0.716 1.00 0.00 C ATOM 645 CD GLN A 43 2.988 -11.309 1.078 1.00 0.00 C ATOM 646 OE1 GLN A 43 3.429 -12.076 0.237 1.00 0.00 O ATOM 647 NE2 GLN A 43 3.286 -11.374 2.372 1.00 0.00 N ATOM 0 H GLN A 43 3.126 -6.666 -1.480 1.00 0.00 H new ATOM 0 HA GLN A 43 1.015 -8.703 -1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.520 -9.398 -0.635 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.315 -8.447 0.823 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.518 -9.824 1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.260 -10.545 0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.882 -10.700 3.023 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.919 -12.097 2.714 1.00 0.00 H new ATOM 656 N LEU A 44 -0.080 -7.320 0.609 1.00 0.00 N ATOM 657 CA LEU A 44 -0.805 -6.441 1.511 1.00 0.00 C ATOM 658 C LEU A 44 -0.399 -6.751 2.954 1.00 0.00 C ATOM 659 O LEU A 44 -0.663 -7.842 3.456 1.00 0.00 O ATOM 660 CB LEU A 44 -2.311 -6.540 1.261 1.00 0.00 C ATOM 661 CG LEU A 44 -3.075 -5.216 1.237 1.00 0.00 C ATOM 662 CD1 LEU A 44 -3.668 -4.950 -0.148 1.00 0.00 C ATOM 663 CD2 LEU A 44 -4.142 -5.178 2.334 1.00 0.00 C ATOM 0 H LEU A 44 -0.616 -8.117 0.267 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.542 -5.400 1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.469 -7.045 0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.747 -7.174 2.033 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.370 -4.411 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.206 -4.002 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.866 -4.904 -0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.355 -5.754 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.671 -4.226 2.295 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.850 -5.993 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.666 -5.289 3.308 1.00 0.00 H new ATOM 675 N VAL A 45 0.236 -5.771 3.580 1.00 0.00 N ATOM 676 CA VAL A 45 0.681 -5.925 4.954 1.00 0.00 C ATOM 677 C VAL A 45 -0.302 -5.215 5.887 1.00 0.00 C ATOM 678 O VAL A 45 -0.448 -3.995 5.828 1.00 0.00 O ATOM 679 CB VAL A 45 2.117 -5.417 5.100 1.00 0.00 C ATOM 680 CG1 VAL A 45 2.548 -5.408 6.568 1.00 0.00 C ATOM 681 CG2 VAL A 45 3.081 -6.247 4.250 1.00 0.00 C ATOM 0 H VAL A 45 0.453 -4.867 3.160 1.00 0.00 H new ATOM 0 HA VAL A 45 0.693 -6.978 5.235 1.00 0.00 H new ATOM 0 HB VAL A 45 2.149 -4.390 4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.572 -5.043 6.644 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.887 -4.755 7.137 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.493 -6.420 6.970 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.095 -5.865 4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.044 -7.288 4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.792 -6.180 3.201 1.00 0.00 H new ATOM 691 N ASP A 46 -0.952 -6.009 6.725 1.00 0.00 N ATOM 692 CA ASP A 46 -1.918 -5.471 7.669 1.00 0.00 C ATOM 693 C ASP A 46 -1.183 -4.971 8.914 1.00 0.00 C ATOM 694 O ASP A 46 -0.713 -5.769 9.724 1.00 0.00 O ATOM 695 CB ASP A 46 -2.915 -6.545 8.108 1.00 0.00 C ATOM 696 CG ASP A 46 -4.006 -6.061 9.066 1.00 0.00 C ATOM 697 OD1 ASP A 46 -3.779 -5.006 9.697 1.00 0.00 O ATOM 698 OD2 ASP A 46 -5.041 -6.757 9.145 1.00 0.00 O ATOM 0 H ASP A 46 -0.829 -7.021 6.770 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.455 -4.660 7.177 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.391 -6.963 7.221 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.366 -7.356 8.587 1.00 0.00 H new ATOM 703 N ILE A 47 -1.107 -3.653 9.028 1.00 0.00 N ATOM 704 CA ILE A 47 -0.437 -3.037 10.161 1.00 0.00 C ATOM 705 C ILE A 47 -1.325 -3.159 11.401 1.00 0.00 C ATOM 706 O ILE A 47 -0.827 -3.341 12.510 1.00 0.00 O ATOM 707 CB ILE A 47 -0.038 -1.598 9.830 1.00 0.00 C ATOM 708 CG1 ILE A 47 -1.271 -0.700 9.715 1.00 0.00 C ATOM 709 CG2 ILE A 47 0.829 -1.545 8.570 1.00 0.00 C ATOM 710 CD1 ILE A 47 -0.871 0.742 9.392 1.00 0.00 C ATOM 0 H ILE A 47 -1.498 -2.995 8.354 1.00 0.00 H new ATOM 0 HA ILE A 47 0.494 -3.559 10.382 1.00 0.00 H new ATOM 0 HB ILE A 47 0.565 -1.213 10.652 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.932 -1.081 8.936 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.832 -0.725 10.649 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.099 -0.511 8.357 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.735 -2.131 8.726 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.272 -1.955 7.728 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.766 1.359 9.316 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.230 1.128 10.185 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.331 0.767 8.445 1.00 0.00 H new ATOM 722 N SER A 48 -2.626 -3.055 11.170 1.00 0.00 N ATOM 723 CA SER A 48 -3.588 -3.151 12.255 1.00 0.00 C ATOM 724 C SER A 48 -3.329 -4.417 13.073 1.00 0.00 C ATOM 725 O SER A 48 -3.228 -4.359 14.298 1.00 0.00 O ATOM 726 CB SER A 48 -5.022 -3.149 11.720 1.00 0.00 C ATOM 727 OG SER A 48 -5.868 -2.277 12.465 1.00 0.00 O ATOM 0 H SER A 48 -3.036 -2.905 10.248 1.00 0.00 H new ATOM 0 HA SER A 48 -3.467 -2.279 12.898 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.018 -2.844 10.674 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.424 -4.162 11.755 1.00 0.00 H new ATOM 0 HG SER A 48 -6.103 -1.501 11.915 1.00 0.00 H new ATOM 733 N GLN A 49 -3.229 -5.532 12.364 1.00 0.00 N ATOM 734 CA GLN A 49 -2.984 -6.810 13.010 1.00 0.00 C ATOM 735 C GLN A 49 -1.911 -6.661 14.091 1.00 0.00 C ATOM 736 O GLN A 49 -2.188 -6.847 15.275 1.00 0.00 O ATOM 737 CB GLN A 49 -2.586 -7.874 11.986 1.00 0.00 C ATOM 738 CG GLN A 49 -3.816 -8.619 11.462 1.00 0.00 C ATOM 739 CD GLN A 49 -4.130 -9.838 12.332 1.00 0.00 C ATOM 740 OE1 GLN A 49 -3.657 -9.975 13.448 1.00 0.00 O ATOM 741 NE2 GLN A 49 -4.953 -10.712 11.760 1.00 0.00 N ATOM 0 H GLN A 49 -3.313 -5.577 11.348 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.908 -7.138 13.486 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.059 -7.405 11.155 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.895 -8.582 12.442 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.674 -7.947 11.448 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.643 -8.936 10.434 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.313 -10.535 10.822 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.225 -11.559 12.259 1.00 0.00 H new ATOM 750 N ASP A 50 -0.709 -6.328 13.645 1.00 0.00 N ATOM 751 CA ASP A 50 0.406 -6.152 14.559 1.00 0.00 C ATOM 752 C ASP A 50 0.670 -4.657 14.754 1.00 0.00 C ATOM 753 O ASP A 50 1.084 -3.969 13.823 1.00 0.00 O ATOM 754 CB ASP A 50 1.682 -6.787 14.002 1.00 0.00 C ATOM 755 CG ASP A 50 2.515 -7.566 15.021 1.00 0.00 C ATOM 756 OD1 ASP A 50 3.300 -6.906 15.736 1.00 0.00 O ATOM 757 OD2 ASP A 50 2.349 -8.805 15.062 1.00 0.00 O ATOM 0 H ASP A 50 -0.483 -6.175 12.662 1.00 0.00 H new ATOM 0 HA ASP A 50 0.146 -6.632 15.502 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.410 -7.459 13.188 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.303 -6.001 13.572 1.00 0.00 H new ATOM 762 N ASN A 51 0.418 -4.199 15.972 1.00 0.00 N ATOM 763 CA ASN A 51 0.622 -2.798 16.301 1.00 0.00 C ATOM 764 C ASN A 51 2.031 -2.379 15.876 1.00 0.00 C ATOM 765 O ASN A 51 2.220 -1.298 15.321 1.00 0.00 O ATOM 766 CB ASN A 51 0.493 -2.562 17.807 1.00 0.00 C ATOM 767 CG ASN A 51 -0.976 -2.451 18.220 1.00 0.00 C ATOM 768 OD1 ASN A 51 -1.523 -1.372 18.379 1.00 0.00 O ATOM 769 ND2 ASN A 51 -1.582 -3.623 18.386 1.00 0.00 N ATOM 0 H ASN A 51 0.075 -4.773 16.742 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.136 -2.215 15.778 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.966 -3.381 18.349 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.022 -1.650 18.083 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.563 -3.655 18.663 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.066 -4.490 18.237 1.00 0.00 H new ATOM 776 N ALA A 52 2.984 -3.257 16.154 1.00 0.00 N ATOM 777 CA ALA A 52 4.370 -2.992 15.807 1.00 0.00 C ATOM 778 C ALA A 52 4.433 -2.381 14.406 1.00 0.00 C ATOM 779 O ALA A 52 4.987 -1.298 14.221 1.00 0.00 O ATOM 780 CB ALA A 52 5.180 -4.285 15.916 1.00 0.00 C ATOM 0 H ALA A 52 2.824 -4.152 16.615 1.00 0.00 H new ATOM 0 HA ALA A 52 4.808 -2.274 16.500 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.220 -4.086 15.656 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.127 -4.662 16.937 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.771 -5.029 15.233 1.00 0.00 H new ATOM 786 N LEU A 53 3.856 -3.101 13.455 1.00 0.00 N ATOM 787 CA LEU A 53 3.840 -2.643 12.076 1.00 0.00 C ATOM 788 C LEU A 53 3.560 -1.139 12.046 1.00 0.00 C ATOM 789 O LEU A 53 4.336 -0.371 11.479 1.00 0.00 O ATOM 790 CB LEU A 53 2.852 -3.469 11.249 1.00 0.00 C ATOM 791 CG LEU A 53 3.259 -4.917 10.969 1.00 0.00 C ATOM 792 CD1 LEU A 53 2.029 -5.822 10.873 1.00 0.00 C ATOM 793 CD2 LEU A 53 4.137 -5.009 9.720 1.00 0.00 C ATOM 0 H LEU A 53 3.396 -3.998 13.612 1.00 0.00 H new ATOM 0 HA LEU A 53 4.815 -2.796 11.612 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.892 -3.476 11.766 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.697 -2.965 10.295 1.00 0.00 H new ATOM 0 HG LEU A 53 3.857 -5.272 11.808 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.345 -6.846 10.673 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.479 -5.789 11.813 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.386 -5.477 10.064 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.412 -6.049 9.544 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.587 -4.629 8.859 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.039 -4.415 9.865 1.00 0.00 H new ATOM 805 N ARG A 54 2.449 -0.763 12.663 1.00 0.00 N ATOM 806 CA ARG A 54 2.058 0.635 12.714 1.00 0.00 C ATOM 807 C ARG A 54 3.287 1.524 12.913 1.00 0.00 C ATOM 808 O ARG A 54 3.417 2.564 12.270 1.00 0.00 O ATOM 809 CB ARG A 54 1.065 0.888 13.850 1.00 0.00 C ATOM 810 CG ARG A 54 0.178 2.096 13.545 1.00 0.00 C ATOM 811 CD ARG A 54 -1.182 1.966 14.234 1.00 0.00 C ATOM 812 NE ARG A 54 -1.352 3.050 15.227 1.00 0.00 N ATOM 813 CZ ARG A 54 -2.458 3.230 15.961 1.00 0.00 C ATOM 814 NH1 ARG A 54 -3.500 2.399 15.818 1.00 0.00 N ATOM 815 NH2 ARG A 54 -2.523 4.241 16.839 1.00 0.00 N ATOM 0 H ARG A 54 1.807 -1.403 13.132 1.00 0.00 H new ATOM 0 HA ARG A 54 1.579 0.879 11.766 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.444 0.005 13.998 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.607 1.056 14.781 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.673 3.008 13.878 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.037 2.185 12.468 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.980 2.012 13.493 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.259 0.996 14.725 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.578 3.701 15.361 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.451 1.630 15.150 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.342 2.536 16.377 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.730 4.873 16.948 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.365 4.378 17.398 1.00 0.00 H new ATOM 829 N ASP A 55 4.159 1.081 13.808 1.00 0.00 N ATOM 830 CA ASP A 55 5.373 1.824 14.101 1.00 0.00 C ATOM 831 C ASP A 55 6.413 1.539 13.015 1.00 0.00 C ATOM 832 O ASP A 55 6.866 2.453 12.329 1.00 0.00 O ATOM 833 CB ASP A 55 5.966 1.402 15.446 1.00 0.00 C ATOM 834 CG ASP A 55 6.851 2.452 16.121 1.00 0.00 C ATOM 835 OD1 ASP A 55 7.001 3.538 15.520 1.00 0.00 O ATOM 836 OD2 ASP A 55 7.356 2.146 17.222 1.00 0.00 O ATOM 0 H ASP A 55 4.049 0.217 14.339 1.00 0.00 H new ATOM 0 HA ASP A 55 5.121 2.884 14.136 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.150 1.148 16.122 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.552 0.495 15.299 1.00 0.00 H new ATOM 841 N GLU A 56 6.762 0.266 12.895 1.00 0.00 N ATOM 842 CA GLU A 56 7.741 -0.151 11.905 1.00 0.00 C ATOM 843 C GLU A 56 7.525 0.608 10.593 1.00 0.00 C ATOM 844 O GLU A 56 8.483 1.072 9.976 1.00 0.00 O ATOM 845 CB GLU A 56 7.683 -1.663 11.680 1.00 0.00 C ATOM 846 CG GLU A 56 8.201 -2.420 12.904 1.00 0.00 C ATOM 847 CD GLU A 56 9.273 -3.437 12.507 1.00 0.00 C ATOM 848 OE1 GLU A 56 10.203 -3.026 11.779 1.00 0.00 O ATOM 849 OE2 GLU A 56 9.139 -4.601 12.940 1.00 0.00 O ATOM 0 H GLU A 56 6.385 -0.490 13.467 1.00 0.00 H new ATOM 0 HA GLU A 56 8.735 0.089 12.282 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.657 -1.964 11.470 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.278 -1.927 10.806 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.614 -1.714 13.625 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.374 -2.932 13.396 1.00 0.00 H new ATOM 856 N MET A 57 6.262 0.710 10.207 1.00 0.00 N ATOM 857 CA MET A 57 5.909 1.404 8.980 1.00 0.00 C ATOM 858 C MET A 57 6.332 2.873 9.040 1.00 0.00 C ATOM 859 O MET A 57 6.980 3.374 8.122 1.00 0.00 O ATOM 860 CB MET A 57 4.398 1.316 8.760 1.00 0.00 C ATOM 861 CG MET A 57 4.005 1.909 7.405 1.00 0.00 C ATOM 862 SD MET A 57 2.262 2.292 7.389 1.00 0.00 S ATOM 863 CE MET A 57 2.184 3.436 8.757 1.00 0.00 C ATOM 0 H MET A 57 5.471 0.324 10.722 1.00 0.00 H new ATOM 0 HA MET A 57 6.434 0.928 8.152 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.080 0.275 8.811 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.879 1.848 9.558 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.586 2.811 7.211 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.238 1.203 6.608 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.481 4.235 8.523 1.00 0.00 H new ATOM 0 HE2 MET A 57 1.852 2.911 9.652 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.172 3.862 8.932 1.00 0.00 H new ATOM 873 N ARG A 58 5.948 3.522 10.129 1.00 0.00 N ATOM 874 CA ARG A 58 6.279 4.924 10.320 1.00 0.00 C ATOM 875 C ARG A 58 7.787 5.139 10.169 1.00 0.00 C ATOM 876 O ARG A 58 8.221 5.997 9.402 1.00 0.00 O ATOM 877 CB ARG A 58 5.838 5.410 11.702 1.00 0.00 C ATOM 878 CG ARG A 58 4.393 5.912 11.671 1.00 0.00 C ATOM 879 CD ARG A 58 3.637 5.486 12.931 1.00 0.00 C ATOM 880 NE ARG A 58 2.189 5.386 12.643 1.00 0.00 N ATOM 881 CZ ARG A 58 1.232 5.424 13.581 1.00 0.00 C ATOM 882 NH1 ARG A 58 1.564 5.560 14.872 1.00 0.00 N ATOM 883 NH2 ARG A 58 -0.057 5.326 13.227 1.00 0.00 N ATOM 0 H ARG A 58 5.411 3.103 10.888 1.00 0.00 H new ATOM 0 HA ARG A 58 5.749 5.497 9.559 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.929 4.598 12.423 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.498 6.210 12.038 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.384 6.999 11.587 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.887 5.520 10.789 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.013 4.526 13.284 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.808 6.208 13.729 1.00 0.00 H new ATOM 0 HE ARG A 58 1.901 5.282 11.670 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.545 5.635 15.141 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.836 5.589 15.586 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.310 5.223 12.244 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.785 5.355 13.940 1.00 0.00 H new ATOM 897 N THR A 59 8.543 4.344 10.913 1.00 0.00 N ATOM 898 CA THR A 59 9.992 4.436 10.871 1.00 0.00 C ATOM 899 C THR A 59 10.496 4.264 9.437 1.00 0.00 C ATOM 900 O THR A 59 11.272 5.082 8.945 1.00 0.00 O ATOM 901 CB THR A 59 10.560 3.401 11.844 1.00 0.00 C ATOM 902 OG1 THR A 59 10.377 3.993 13.127 1.00 0.00 O ATOM 903 CG2 THR A 59 12.077 3.249 11.717 1.00 0.00 C ATOM 0 H THR A 59 8.179 3.634 11.548 1.00 0.00 H new ATOM 0 HA THR A 59 10.335 5.421 11.186 1.00 0.00 H new ATOM 0 HB THR A 59 10.082 2.437 11.668 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.717 3.387 13.818 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.429 2.503 12.429 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.327 2.931 10.705 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.557 4.205 11.926 1.00 0.00 H new ATOM 911 N LEU A 60 10.035 3.194 8.806 1.00 0.00 N ATOM 912 CA LEU A 60 10.430 2.903 7.439 1.00 0.00 C ATOM 913 C LEU A 60 10.183 4.137 6.568 1.00 0.00 C ATOM 914 O LEU A 60 11.107 4.653 5.941 1.00 0.00 O ATOM 915 CB LEU A 60 9.724 1.643 6.933 1.00 0.00 C ATOM 916 CG LEU A 60 10.113 0.334 7.624 1.00 0.00 C ATOM 917 CD1 LEU A 60 9.027 -0.728 7.437 1.00 0.00 C ATOM 918 CD2 LEU A 60 11.481 -0.154 7.144 1.00 0.00 C ATOM 0 H LEU A 60 9.391 2.518 9.217 1.00 0.00 H new ATOM 0 HA LEU A 60 11.497 2.684 7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.649 1.784 7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.924 1.541 5.866 1.00 0.00 H new ATOM 0 HG LEU A 60 10.197 0.524 8.694 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.328 -1.648 7.937 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.091 -0.371 7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.887 -0.922 6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.733 -1.086 7.651 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.450 -0.323 6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.236 0.599 7.371 1.00 0.00 H new ATOM 930 N ALA A 61 8.932 4.574 6.558 1.00 0.00 N ATOM 931 CA ALA A 61 8.553 5.738 5.775 1.00 0.00 C ATOM 932 C ALA A 61 9.479 6.905 6.121 1.00 0.00 C ATOM 933 O ALA A 61 10.165 7.437 5.250 1.00 0.00 O ATOM 934 CB ALA A 61 7.080 6.067 6.030 1.00 0.00 C ATOM 0 H ALA A 61 8.168 4.143 7.079 1.00 0.00 H new ATOM 0 HA ALA A 61 8.663 5.536 4.710 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.795 6.940 5.443 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.462 5.217 5.740 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.932 6.278 7.089 1.00 0.00 H new ATOM 940 N GLY A 62 9.471 7.268 7.395 1.00 0.00 N ATOM 941 CA GLY A 62 10.302 8.362 7.867 1.00 0.00 C ATOM 942 C GLY A 62 9.452 9.454 8.520 1.00 0.00 C ATOM 943 O GLY A 62 9.677 10.641 8.290 1.00 0.00 O ATOM 0 H GLY A 62 8.902 6.824 8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.031 7.986 8.585 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.863 8.783 7.033 1.00 0.00 H new ATOM 947 N ASN A 63 8.493 9.013 9.322 1.00 0.00 N ATOM 948 CA ASN A 63 7.609 9.938 10.010 1.00 0.00 C ATOM 949 C ASN A 63 6.752 9.166 11.015 1.00 0.00 C ATOM 950 O ASN A 63 6.174 8.134 10.679 1.00 0.00 O ATOM 951 CB ASN A 63 6.669 10.637 9.025 1.00 0.00 C ATOM 952 CG ASN A 63 6.228 12.001 9.560 1.00 0.00 C ATOM 953 OD1 ASN A 63 4.927 12.085 9.821 1.00 0.00 O flip ATOM 954 ND2 ASN A 63 7.018 12.916 9.726 1.00 0.00 N flip ATOM 0 H ASN A 63 8.309 8.027 9.510 1.00 0.00 H new ATOM 0 HA ASN A 63 8.226 10.684 10.511 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.171 10.764 8.066 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.794 10.012 8.847 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.005 12.784 9.505 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.691 13.813 10.086 1.00 0.00 H new ATOM 961 N PRO A 64 6.696 9.711 12.260 1.00 0.00 N ATOM 962 CA PRO A 64 5.919 9.084 13.316 1.00 0.00 C ATOM 963 C PRO A 64 4.422 9.318 13.108 1.00 0.00 C ATOM 964 O PRO A 64 3.601 8.480 13.479 1.00 0.00 O ATOM 965 CB PRO A 64 6.443 9.696 14.605 1.00 0.00 C ATOM 966 CG PRO A 64 7.162 10.972 14.199 1.00 0.00 C ATOM 967 CD PRO A 64 7.367 10.932 12.693 1.00 0.00 C ATOM 0 HA PRO A 64 6.028 8.000 13.332 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.627 9.910 15.295 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.121 9.011 15.115 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.576 11.847 14.481 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.120 11.050 14.713 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.939 11.811 12.212 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.427 10.913 12.438 1.00 0.00 H new ATOM 975 N LYS A 65 4.111 10.462 12.516 1.00 0.00 N ATOM 976 CA LYS A 65 2.726 10.817 12.255 1.00 0.00 C ATOM 977 C LYS A 65 2.363 10.417 10.823 1.00 0.00 C ATOM 978 O LYS A 65 1.634 11.135 10.141 1.00 0.00 O ATOM 979 CB LYS A 65 2.486 12.297 12.560 1.00 0.00 C ATOM 980 CG LYS A 65 2.137 12.503 14.035 1.00 0.00 C ATOM 981 CD LYS A 65 0.732 13.087 14.190 1.00 0.00 C ATOM 982 CE LYS A 65 0.787 14.600 14.413 1.00 0.00 C ATOM 983 NZ LYS A 65 -0.536 15.111 14.834 1.00 0.00 N ATOM 0 H LYS A 65 4.794 11.155 12.210 1.00 0.00 H new ATOM 0 HA LYS A 65 2.060 10.266 12.919 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.377 12.873 12.310 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.677 12.674 11.935 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.199 11.552 14.563 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.865 13.171 14.495 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.143 12.869 13.299 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.227 12.610 15.030 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.532 14.834 15.173 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.100 15.098 13.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.480 16.139 14.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.239 14.904 14.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.820 14.649 15.722 1.00 0.00 H new ATOM 997 N ALA A 66 2.889 9.274 10.411 1.00 0.00 N ATOM 998 CA ALA A 66 2.630 8.770 9.073 1.00 0.00 C ATOM 999 C ALA A 66 1.355 7.923 9.089 1.00 0.00 C ATOM 1000 O ALA A 66 0.865 7.554 10.155 1.00 0.00 O ATOM 1001 CB ALA A 66 3.846 7.983 8.578 1.00 0.00 C ATOM 0 H ALA A 66 3.494 8.682 10.980 1.00 0.00 H new ATOM 0 HA ALA A 66 2.470 9.594 8.378 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.651 7.605 7.574 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.718 8.636 8.557 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.036 7.146 9.250 1.00 0.00 H new ATOM 1007 N THR A 67 0.855 7.641 7.895 1.00 0.00 N ATOM 1008 CA THR A 67 -0.352 6.845 7.759 1.00 0.00 C ATOM 1009 C THR A 67 -0.358 6.109 6.418 1.00 0.00 C ATOM 1010 O THR A 67 0.353 6.495 5.491 1.00 0.00 O ATOM 1011 CB THR A 67 -1.554 7.773 7.949 1.00 0.00 C ATOM 1012 OG1 THR A 67 -1.330 8.826 7.015 1.00 0.00 O ATOM 1013 CG2 THR A 67 -1.545 8.473 9.309 1.00 0.00 C ATOM 0 H THR A 67 1.264 7.950 7.013 1.00 0.00 H new ATOM 0 HA THR A 67 -0.400 6.067 8.521 1.00 0.00 H new ATOM 0 HB THR A 67 -2.475 7.200 7.843 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.064 9.473 7.069 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.419 9.119 9.392 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.569 7.726 10.103 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.640 9.073 9.403 1.00 0.00 H new ATOM 1021 N PRO A 68 -1.190 5.036 6.354 1.00 0.00 N ATOM 1022 CA PRO A 68 -1.298 4.243 5.141 1.00 0.00 C ATOM 1023 C PRO A 68 -2.111 4.980 4.075 1.00 0.00 C ATOM 1024 O PRO A 68 -2.769 5.976 4.370 1.00 0.00 O ATOM 1025 CB PRO A 68 -1.940 2.937 5.581 1.00 0.00 C ATOM 1026 CG PRO A 68 -2.590 3.224 6.925 1.00 0.00 C ATOM 1027 CD PRO A 68 -2.048 4.550 7.431 1.00 0.00 C ATOM 0 HA PRO A 68 -0.332 4.058 4.672 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.679 2.601 4.854 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.195 2.146 5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.674 3.269 6.823 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.369 2.426 7.634 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.854 5.252 7.642 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.487 4.421 8.357 1.00 0.00 H new ATOM 1035 N PRO A 69 -2.037 4.447 2.826 1.00 0.00 N ATOM 1036 CA PRO A 69 -1.234 3.265 2.563 1.00 0.00 C ATOM 1037 C PRO A 69 0.257 3.608 2.543 1.00 0.00 C ATOM 1038 O PRO A 69 0.639 4.748 2.802 1.00 0.00 O ATOM 1039 CB PRO A 69 -1.740 2.734 1.231 1.00 0.00 C ATOM 1040 CG PRO A 69 -2.479 3.890 0.576 1.00 0.00 C ATOM 1041 CD PRO A 69 -2.713 4.954 1.635 1.00 0.00 C ATOM 0 HA PRO A 69 -1.332 2.508 3.341 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -0.914 2.394 0.606 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.401 1.880 1.377 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -1.896 4.296 -0.251 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.428 3.550 0.160 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.304 5.916 1.327 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.777 5.104 1.817 1.00 0.00 H new ATOM 1049 N GLN A 70 1.059 2.600 2.232 1.00 0.00 N ATOM 1050 CA GLN A 70 2.499 2.780 2.175 1.00 0.00 C ATOM 1051 C GLN A 70 3.132 1.717 1.275 1.00 0.00 C ATOM 1052 O GLN A 70 3.100 0.530 1.594 1.00 0.00 O ATOM 1053 CB GLN A 70 3.112 2.748 3.576 1.00 0.00 C ATOM 1054 CG GLN A 70 3.975 3.986 3.826 1.00 0.00 C ATOM 1055 CD GLN A 70 3.142 5.127 4.414 1.00 0.00 C ATOM 1056 OE1 GLN A 70 2.210 4.921 5.174 1.00 0.00 O ATOM 1057 NE2 GLN A 70 3.527 6.337 4.021 1.00 0.00 N ATOM 0 H GLN A 70 0.738 1.656 2.017 1.00 0.00 H new ATOM 0 HA GLN A 70 2.706 3.761 1.746 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.319 2.696 4.322 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.718 1.849 3.691 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.787 3.735 4.508 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.432 4.310 2.891 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.316 6.439 3.383 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.033 7.164 4.358 1.00 0.00 H new ATOM 1066 N ILE A 71 3.693 2.182 0.168 1.00 0.00 N ATOM 1067 CA ILE A 71 4.332 1.285 -0.780 1.00 0.00 C ATOM 1068 C ILE A 71 5.796 1.088 -0.381 1.00 0.00 C ATOM 1069 O ILE A 71 6.501 2.054 -0.094 1.00 0.00 O ATOM 1070 CB ILE A 71 4.148 1.798 -2.210 1.00 0.00 C ATOM 1071 CG1 ILE A 71 2.671 2.052 -2.515 1.00 0.00 C ATOM 1072 CG2 ILE A 71 4.787 0.844 -3.221 1.00 0.00 C ATOM 1073 CD1 ILE A 71 2.385 3.551 -2.632 1.00 0.00 C ATOM 0 H ILE A 71 3.718 3.168 -0.093 1.00 0.00 H new ATOM 0 HA ILE A 71 3.859 0.303 -0.755 1.00 0.00 H new ATOM 0 HB ILE A 71 4.664 2.754 -2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.397 1.552 -3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.054 1.621 -1.727 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.642 1.232 -4.229 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.854 0.757 -3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.321 -0.138 -3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.328 3.704 -2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.638 4.044 -1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.986 3.974 -3.437 1.00 0.00 H new ATOM 1085 N VAL A 72 6.210 -0.171 -0.376 1.00 0.00 N ATOM 1086 CA VAL A 72 7.577 -0.508 -0.017 1.00 0.00 C ATOM 1087 C VAL A 72 8.116 -1.549 -1.001 1.00 0.00 C ATOM 1088 O VAL A 72 7.379 -2.426 -1.448 1.00 0.00 O ATOM 1089 CB VAL A 72 7.636 -0.974 1.439 1.00 0.00 C ATOM 1090 CG1 VAL A 72 9.083 -1.057 1.930 1.00 0.00 C ATOM 1091 CG2 VAL A 72 6.802 -0.062 2.341 1.00 0.00 C ATOM 0 H VAL A 72 5.623 -0.970 -0.615 1.00 0.00 H new ATOM 0 HA VAL A 72 8.219 0.370 -0.089 1.00 0.00 H new ATOM 0 HB VAL A 72 7.208 -1.975 1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.097 -1.391 2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.636 -1.766 1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.548 -0.074 1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.861 -0.416 3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.187 0.956 2.284 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.763 -0.076 2.012 1.00 0.00 H new ATOM 1101 N ASN A 73 9.398 -1.417 -1.308 1.00 0.00 N ATOM 1102 CA ASN A 73 10.044 -2.335 -2.230 1.00 0.00 C ATOM 1103 C ASN A 73 11.197 -3.042 -1.515 1.00 0.00 C ATOM 1104 O ASN A 73 12.248 -2.446 -1.284 1.00 0.00 O ATOM 1105 CB ASN A 73 10.622 -1.590 -3.436 1.00 0.00 C ATOM 1106 CG ASN A 73 10.879 -2.548 -4.600 1.00 0.00 C ATOM 1107 OD1 ASN A 73 10.112 -2.326 -5.664 1.00 0.00 O flip ATOM 1108 ND2 ASN A 73 11.719 -3.431 -4.538 1.00 0.00 N flip ATOM 0 H ASN A 73 10.006 -0.688 -0.935 1.00 0.00 H new ATOM 0 HA ASN A 73 9.296 -3.050 -2.572 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.931 -0.808 -3.750 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.553 -1.098 -3.153 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.275 -3.548 -3.691 1.00 0.00 H new ATOM 0 HD22 ASN A 73 11.865 -4.052 -5.333 1.00 0.00 H new ATOM 1115 N GLY A 74 10.962 -4.304 -1.185 1.00 0.00 N ATOM 1116 CA GLY A 74 11.968 -5.098 -0.500 1.00 0.00 C ATOM 1117 C GLY A 74 12.426 -4.411 0.788 1.00 0.00 C ATOM 1118 O GLY A 74 11.860 -4.643 1.855 1.00 0.00 O ATOM 0 H GLY A 74 10.090 -4.796 -1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.562 -6.082 -0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.823 -5.253 -1.157 1.00 0.00 H new ATOM 1122 N ASN A 75 13.448 -3.580 0.646 1.00 0.00 N ATOM 1123 CA ASN A 75 13.989 -2.858 1.784 1.00 0.00 C ATOM 1124 C ASN A 75 14.054 -1.366 1.452 1.00 0.00 C ATOM 1125 O ASN A 75 14.790 -0.615 2.092 1.00 0.00 O ATOM 1126 CB ASN A 75 15.406 -3.331 2.114 1.00 0.00 C ATOM 1127 CG ASN A 75 15.748 -3.060 3.580 1.00 0.00 C ATOM 1128 OD1 ASN A 75 15.003 -2.428 4.311 1.00 0.00 O ATOM 1129 ND2 ASN A 75 16.912 -3.572 3.968 1.00 0.00 N ATOM 0 H ASN A 75 13.916 -3.391 -0.241 1.00 0.00 H new ATOM 0 HA ASN A 75 13.339 -3.042 2.640 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.494 -4.398 1.908 1.00 0.00 H new ATOM 0 HB3 ASN A 75 16.122 -2.821 1.470 1.00 0.00 H new ATOM 0 HD21 ASN A 75 17.230 -3.446 4.929 1.00 0.00 H new ATOM 0 HD22 ASN A 75 17.487 -4.091 3.305 1.00 0.00 H new ATOM 1136 N HIS A 76 13.275 -0.980 0.452 1.00 0.00 N ATOM 1137 CA HIS A 76 13.235 0.409 0.028 1.00 0.00 C ATOM 1138 C HIS A 76 11.851 0.994 0.316 1.00 0.00 C ATOM 1139 O HIS A 76 10.858 0.269 0.334 1.00 0.00 O ATOM 1140 CB HIS A 76 13.640 0.540 -1.442 1.00 0.00 C ATOM 1141 CG HIS A 76 15.037 0.050 -1.740 1.00 0.00 C ATOM 1142 ND1 HIS A 76 16.170 0.783 -1.431 1.00 0.00 N ATOM 1143 CD2 HIS A 76 15.472 -1.104 -2.321 1.00 0.00 C ATOM 1144 CE1 HIS A 76 17.232 0.091 -1.814 1.00 0.00 C ATOM 1145 NE2 HIS A 76 16.798 -1.078 -2.366 1.00 0.00 N ATOM 0 H HIS A 76 12.667 -1.605 -0.077 1.00 0.00 H new ATOM 0 HA HIS A 76 13.962 0.988 0.598 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.932 -0.018 -2.054 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.562 1.586 -1.738 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.844 -1.904 -2.683 1.00 0.00 H new ATOM 0 HE1 HIS A 76 18.262 0.399 -1.708 1.00 0.00 H new ATOM 0 HE2 HIS A 76 17.394 -1.811 -2.750 1.00 0.00 H new ATOM 1153 N TYR A 77 11.830 2.301 0.535 1.00 0.00 N ATOM 1154 CA TYR A 77 10.585 2.992 0.822 1.00 0.00 C ATOM 1155 C TYR A 77 10.109 3.791 -0.393 1.00 0.00 C ATOM 1156 O TYR A 77 10.610 4.884 -0.656 1.00 0.00 O ATOM 1157 CB TYR A 77 10.893 3.960 1.966 1.00 0.00 C ATOM 1158 CG TYR A 77 9.771 4.959 2.255 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.461 4.528 2.313 1.00 0.00 C ATOM 1160 CD2 TYR A 77 10.069 6.291 2.458 1.00 0.00 C ATOM 1161 CE1 TYR A 77 7.406 5.469 2.585 1.00 0.00 C ATOM 1162 CE2 TYR A 77 9.013 7.232 2.730 1.00 0.00 C ATOM 1163 CZ TYR A 77 7.734 6.774 2.780 1.00 0.00 C ATOM 1164 OH TYR A 77 6.736 7.663 3.036 1.00 0.00 O ATOM 0 H TYR A 77 12.656 2.899 0.519 1.00 0.00 H new ATOM 0 HA TYR A 77 9.801 2.279 1.078 1.00 0.00 H new ATOM 0 HB2 TYR A 77 11.096 3.385 2.870 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.803 4.510 1.727 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.228 3.486 2.154 1.00 0.00 H new ATOM 0 HD2 TYR A 77 11.094 6.628 2.413 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.377 5.145 2.633 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.232 8.277 2.891 1.00 0.00 H new ATOM 0 HH TYR A 77 7.118 8.558 3.155 1.00 0.00 H new ATOM 1174 N CYS A 78 9.149 3.216 -1.101 1.00 0.00 N ATOM 1175 CA CYS A 78 8.600 3.862 -2.281 1.00 0.00 C ATOM 1176 C CYS A 78 8.077 5.241 -1.875 1.00 0.00 C ATOM 1177 O CYS A 78 8.681 6.260 -2.206 1.00 0.00 O ATOM 1178 CB CYS A 78 7.512 3.009 -2.938 1.00 0.00 C ATOM 1179 SG CYS A 78 8.176 1.354 -3.347 1.00 0.00 S ATOM 0 H CYS A 78 8.737 2.309 -0.880 1.00 0.00 H new ATOM 0 HA CYS A 78 9.382 3.978 -3.032 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.659 2.912 -2.266 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.151 3.499 -3.842 1.00 0.00 H new ATOM 0 HG CYS A 78 8.085 1.154 -4.628 1.00 0.00 H new ATOM 1185 N GLY A 79 6.958 5.229 -1.165 1.00 0.00 N ATOM 1186 CA GLY A 79 6.347 6.466 -0.710 1.00 0.00 C ATOM 1187 C GLY A 79 4.921 6.222 -0.213 1.00 0.00 C ATOM 1188 O GLY A 79 4.567 5.100 0.144 1.00 0.00 O ATOM 0 H GLY A 79 6.459 4.382 -0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.946 6.899 0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.333 7.190 -1.525 1.00 0.00 H new ATOM 1192 N ASP A 80 4.140 7.293 -0.207 1.00 0.00 N ATOM 1193 CA ASP A 80 2.759 7.209 0.240 1.00 0.00 C ATOM 1194 C ASP A 80 1.829 7.295 -0.972 1.00 0.00 C ATOM 1195 O ASP A 80 2.283 7.528 -2.092 1.00 0.00 O ATOM 1196 CB ASP A 80 2.415 8.364 1.182 1.00 0.00 C ATOM 1197 CG ASP A 80 2.633 9.762 0.599 1.00 0.00 C ATOM 1198 OD1 ASP A 80 3.338 9.844 -0.430 1.00 0.00 O ATOM 1199 OD2 ASP A 80 2.090 10.716 1.195 1.00 0.00 O ATOM 0 H ASP A 80 4.437 8.223 -0.504 1.00 0.00 H new ATOM 0 HA ASP A 80 2.632 6.263 0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.371 8.270 1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.016 8.266 2.086 1.00 0.00 H new ATOM 1204 N TYR A 81 0.546 7.101 -0.708 1.00 0.00 N ATOM 1205 CA TYR A 81 -0.452 7.154 -1.763 1.00 0.00 C ATOM 1206 C TYR A 81 -0.270 8.402 -2.629 1.00 0.00 C ATOM 1207 O TYR A 81 -0.460 8.353 -3.843 1.00 0.00 O ATOM 1208 CB TYR A 81 -1.808 7.230 -1.058 1.00 0.00 C ATOM 1209 CG TYR A 81 -2.963 7.642 -1.973 1.00 0.00 C ATOM 1210 CD1 TYR A 81 -3.166 8.974 -2.269 1.00 0.00 C ATOM 1211 CD2 TYR A 81 -3.801 6.682 -2.502 1.00 0.00 C ATOM 1212 CE1 TYR A 81 -4.253 9.362 -3.131 1.00 0.00 C ATOM 1213 CE2 TYR A 81 -4.887 7.069 -3.363 1.00 0.00 C ATOM 1214 CZ TYR A 81 -5.060 8.391 -3.635 1.00 0.00 C ATOM 1215 OH TYR A 81 -6.087 8.757 -4.448 1.00 0.00 O ATOM 0 H TYR A 81 0.174 6.907 0.222 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.368 6.284 -2.414 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.034 6.257 -0.621 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.739 7.941 -0.235 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.510 9.726 -1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.642 5.639 -2.270 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.423 10.401 -3.371 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.550 6.327 -3.784 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.857 8.174 -4.285 1.00 0.00 H new ATOM 1225 N GLU A 82 0.097 9.491 -1.970 1.00 0.00 N ATOM 1226 CA GLU A 82 0.307 10.750 -2.664 1.00 0.00 C ATOM 1227 C GLU A 82 1.377 10.588 -3.746 1.00 0.00 C ATOM 1228 O GLU A 82 1.075 10.650 -4.937 1.00 0.00 O ATOM 1229 CB GLU A 82 0.685 11.861 -1.682 1.00 0.00 C ATOM 1230 CG GLU A 82 -0.511 12.255 -0.813 1.00 0.00 C ATOM 1231 CD GLU A 82 -0.222 13.537 -0.030 1.00 0.00 C ATOM 1232 OE1 GLU A 82 0.254 14.498 -0.671 1.00 0.00 O ATOM 1233 OE2 GLU A 82 -0.483 13.527 1.193 1.00 0.00 O ATOM 0 H GLU A 82 0.254 9.528 -0.963 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.628 11.037 -3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.506 11.527 -1.047 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.042 12.732 -2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.390 12.399 -1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.744 11.446 -0.120 1.00 0.00 H new ATOM 1240 N LEU A 83 2.605 10.383 -3.293 1.00 0.00 N ATOM 1241 CA LEU A 83 3.721 10.212 -4.207 1.00 0.00 C ATOM 1242 C LEU A 83 3.275 9.356 -5.394 1.00 0.00 C ATOM 1243 O LEU A 83 3.445 9.750 -6.547 1.00 0.00 O ATOM 1244 CB LEU A 83 4.938 9.651 -3.468 1.00 0.00 C ATOM 1245 CG LEU A 83 6.107 10.619 -3.271 1.00 0.00 C ATOM 1246 CD1 LEU A 83 5.663 11.867 -2.506 1.00 0.00 C ATOM 1247 CD2 LEU A 83 7.287 9.921 -2.592 1.00 0.00 C ATOM 0 H LEU A 83 2.852 10.331 -2.305 1.00 0.00 H new ATOM 0 HA LEU A 83 4.036 11.175 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.614 9.300 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.301 8.780 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 83 6.448 10.948 -4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.513 12.538 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.878 12.377 -3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.281 11.577 -1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.104 10.630 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.976 9.546 -1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.623 9.089 -3.211 1.00 0.00 H new ATOM 1259 N PHE A 84 2.713 8.200 -5.072 1.00 0.00 N ATOM 1260 CA PHE A 84 2.242 7.285 -6.097 1.00 0.00 C ATOM 1261 C PHE A 84 1.481 8.035 -7.193 1.00 0.00 C ATOM 1262 O PHE A 84 1.842 7.961 -8.366 1.00 0.00 O ATOM 1263 CB PHE A 84 1.290 6.300 -5.415 1.00 0.00 C ATOM 1264 CG PHE A 84 0.989 5.050 -6.244 1.00 0.00 C ATOM 1265 CD1 PHE A 84 1.908 4.050 -6.324 1.00 0.00 C ATOM 1266 CD2 PHE A 84 -0.196 4.939 -6.901 1.00 0.00 C ATOM 1267 CE1 PHE A 84 1.629 2.890 -7.094 1.00 0.00 C ATOM 1268 CE2 PHE A 84 -0.476 3.778 -7.670 1.00 0.00 C ATOM 1269 CZ PHE A 84 0.443 2.778 -7.750 1.00 0.00 C ATOM 0 H PHE A 84 2.573 7.876 -4.115 1.00 0.00 H new ATOM 0 HA PHE A 84 3.088 6.778 -6.560 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.721 5.996 -4.461 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.353 6.811 -5.193 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.849 4.138 -5.802 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.925 5.734 -6.838 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.359 2.097 -7.159 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.418 3.689 -8.191 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.231 1.895 -8.335 1.00 0.00 H new ATOM 1279 N VAL A 85 0.441 8.740 -6.771 1.00 0.00 N ATOM 1280 CA VAL A 85 -0.374 9.502 -7.701 1.00 0.00 C ATOM 1281 C VAL A 85 0.531 10.396 -8.551 1.00 0.00 C ATOM 1282 O VAL A 85 0.407 10.427 -9.775 1.00 0.00 O ATOM 1283 CB VAL A 85 -1.443 10.287 -6.939 1.00 0.00 C ATOM 1284 CG1 VAL A 85 -1.073 11.769 -6.845 1.00 0.00 C ATOM 1285 CG2 VAL A 85 -2.820 10.105 -7.581 1.00 0.00 C ATOM 0 H VAL A 85 0.144 8.799 -5.797 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.903 8.834 -8.381 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.491 9.889 -5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.850 12.304 -6.299 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.123 11.874 -6.321 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.983 12.186 -7.848 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.561 10.674 -7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.792 10.463 -8.610 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.089 9.049 -7.571 1.00 0.00 H new ATOM 1295 N GLU A 86 1.422 11.101 -7.869 1.00 0.00 N ATOM 1296 CA GLU A 86 2.348 11.993 -8.547 1.00 0.00 C ATOM 1297 C GLU A 86 3.052 11.259 -9.689 1.00 0.00 C ATOM 1298 O GLU A 86 3.081 11.744 -10.819 1.00 0.00 O ATOM 1299 CB GLU A 86 3.363 12.579 -7.564 1.00 0.00 C ATOM 1300 CG GLU A 86 3.141 14.082 -7.377 1.00 0.00 C ATOM 1301 CD GLU A 86 4.457 14.851 -7.507 1.00 0.00 C ATOM 1302 OE1 GLU A 86 5.350 14.593 -6.671 1.00 0.00 O ATOM 1303 OE2 GLU A 86 4.540 15.679 -8.440 1.00 0.00 O ATOM 0 H GLU A 86 1.522 11.073 -6.854 1.00 0.00 H new ATOM 0 HA GLU A 86 1.780 12.822 -8.970 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.277 12.073 -6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.374 12.400 -7.930 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.430 14.443 -8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.702 14.269 -6.397 1.00 0.00 H new ATOM 1310 N ALA A 87 3.602 10.101 -9.356 1.00 0.00 N ATOM 1311 CA ALA A 87 4.305 9.295 -10.340 1.00 0.00 C ATOM 1312 C ALA A 87 3.302 8.763 -11.366 1.00 0.00 C ATOM 1313 O ALA A 87 3.412 9.055 -12.556 1.00 0.00 O ATOM 1314 CB ALA A 87 5.065 8.172 -9.632 1.00 0.00 C ATOM 0 H ALA A 87 3.575 9.701 -8.418 1.00 0.00 H new ATOM 0 HA ALA A 87 5.039 9.897 -10.876 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.592 7.568 -10.370 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.784 8.602 -8.935 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.361 7.545 -9.085 1.00 0.00 H new ATOM 1320 N VAL A 88 2.347 7.991 -10.868 1.00 0.00 N ATOM 1321 CA VAL A 88 1.326 7.415 -11.727 1.00 0.00 C ATOM 1322 C VAL A 88 0.881 8.459 -12.753 1.00 0.00 C ATOM 1323 O VAL A 88 0.799 8.169 -13.945 1.00 0.00 O ATOM 1324 CB VAL A 88 0.171 6.879 -10.879 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -1.058 6.594 -11.745 1.00 0.00 C ATOM 1326 CG2 VAL A 88 0.595 5.631 -10.102 1.00 0.00 C ATOM 0 H VAL A 88 2.259 7.751 -9.881 1.00 0.00 H new ATOM 0 HA VAL A 88 1.726 6.566 -12.281 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.099 7.648 -10.156 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.865 6.214 -11.118 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.380 7.514 -12.233 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.806 5.851 -12.501 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.244 5.270 -9.507 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.905 4.855 -10.802 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.427 5.878 -9.443 1.00 0.00 H new ATOM 1336 N GLU A 89 0.603 9.654 -12.251 1.00 0.00 N ATOM 1337 CA GLU A 89 0.168 10.743 -13.109 1.00 0.00 C ATOM 1338 C GLU A 89 1.304 11.173 -14.039 1.00 0.00 C ATOM 1339 O GLU A 89 1.092 11.368 -15.235 1.00 0.00 O ATOM 1340 CB GLU A 89 -0.338 11.925 -12.279 1.00 0.00 C ATOM 1341 CG GLU A 89 -1.591 11.543 -11.488 1.00 0.00 C ATOM 1342 CD GLU A 89 -2.763 12.462 -11.839 1.00 0.00 C ATOM 1343 OE1 GLU A 89 -2.517 13.684 -11.935 1.00 0.00 O ATOM 1344 OE2 GLU A 89 -3.878 11.922 -12.003 1.00 0.00 O ATOM 0 H GLU A 89 0.671 9.891 -11.261 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.661 10.389 -13.721 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.443 12.253 -11.593 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.560 12.766 -12.935 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.859 10.508 -11.702 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.384 11.604 -10.420 1.00 0.00 H new ATOM 1351 N GLN A 90 2.486 11.307 -13.455 1.00 0.00 N ATOM 1352 CA GLN A 90 3.655 11.710 -14.217 1.00 0.00 C ATOM 1353 C GLN A 90 4.047 10.613 -15.209 1.00 0.00 C ATOM 1354 O GLN A 90 4.896 10.826 -16.073 1.00 0.00 O ATOM 1355 CB GLN A 90 4.823 12.052 -13.289 1.00 0.00 C ATOM 1356 CG GLN A 90 4.637 13.435 -12.662 1.00 0.00 C ATOM 1357 CD GLN A 90 4.550 14.519 -13.739 1.00 0.00 C ATOM 1358 OE1 GLN A 90 5.500 14.800 -14.451 1.00 0.00 O ATOM 1359 NE2 GLN A 90 3.361 15.109 -13.817 1.00 0.00 N ATOM 0 H GLN A 90 2.659 11.144 -12.463 1.00 0.00 H new ATOM 0 HA GLN A 90 3.405 12.609 -14.780 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.901 11.300 -12.504 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.758 12.025 -13.849 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.730 13.445 -12.057 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.470 13.649 -11.992 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.609 14.825 -13.190 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.201 15.846 -14.504 1.00 0.00 H new ATOM 1368 N ASP A 91 3.409 9.462 -15.051 1.00 0.00 N ATOM 1369 CA ASP A 91 3.679 8.331 -15.922 1.00 0.00 C ATOM 1370 C ASP A 91 5.056 7.754 -15.588 1.00 0.00 C ATOM 1371 O ASP A 91 5.715 7.172 -16.448 1.00 0.00 O ATOM 1372 CB ASP A 91 3.690 8.757 -17.392 1.00 0.00 C ATOM 1373 CG ASP A 91 3.220 7.687 -18.379 1.00 0.00 C ATOM 1374 OD1 ASP A 91 2.170 7.072 -18.092 1.00 0.00 O ATOM 1375 OD2 ASP A 91 3.921 7.508 -19.398 1.00 0.00 O ATOM 0 H ASP A 91 2.706 9.289 -14.333 1.00 0.00 H new ATOM 0 HA ASP A 91 2.894 7.591 -15.767 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.056 9.637 -17.504 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.703 9.057 -17.660 1.00 0.00 H new ATOM 1380 N THR A 92 5.450 7.935 -14.336 1.00 0.00 N ATOM 1381 CA THR A 92 6.737 7.439 -13.877 1.00 0.00 C ATOM 1382 C THR A 92 6.556 6.545 -12.649 1.00 0.00 C ATOM 1383 O THR A 92 7.392 6.548 -11.746 1.00 0.00 O ATOM 1384 CB THR A 92 7.645 8.644 -13.623 1.00 0.00 C ATOM 1385 OG1 THR A 92 6.832 9.538 -12.869 1.00 0.00 O ATOM 1386 CG2 THR A 92 7.961 9.418 -14.904 1.00 0.00 C ATOM 0 H THR A 92 4.901 8.418 -13.625 1.00 0.00 H new ATOM 0 HA THR A 92 7.211 6.810 -14.631 1.00 0.00 H new ATOM 0 HB THR A 92 8.574 8.308 -13.163 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.343 10.347 -12.659 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.608 10.263 -14.668 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.466 8.760 -15.611 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.034 9.783 -15.346 1.00 0.00 H new ATOM 1394 N LEU A 93 5.461 5.800 -12.655 1.00 0.00 N ATOM 1395 CA LEU A 93 5.160 4.902 -11.552 1.00 0.00 C ATOM 1396 C LEU A 93 6.262 3.846 -11.445 1.00 0.00 C ATOM 1397 O LEU A 93 6.486 3.285 -10.374 1.00 0.00 O ATOM 1398 CB LEU A 93 3.757 4.313 -11.708 1.00 0.00 C ATOM 1399 CG LEU A 93 3.396 3.176 -10.750 1.00 0.00 C ATOM 1400 CD1 LEU A 93 3.195 3.701 -9.327 1.00 0.00 C ATOM 1401 CD2 LEU A 93 2.177 2.401 -11.253 1.00 0.00 C ATOM 0 H LEU A 93 4.771 5.799 -13.406 1.00 0.00 H new ATOM 0 HA LEU A 93 5.148 5.448 -10.609 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.031 5.116 -11.577 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.649 3.949 -12.730 1.00 0.00 H new ATOM 0 HG LEU A 93 4.231 2.477 -10.720 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.939 2.873 -8.666 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.115 4.172 -8.980 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.388 4.433 -9.320 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.942 1.599 -10.554 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.324 3.075 -11.332 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.395 1.976 -12.233 1.00 0.00 H new ATOM 1413 N GLN A 94 6.920 3.607 -12.570 1.00 0.00 N ATOM 1414 CA GLN A 94 7.993 2.628 -12.616 1.00 0.00 C ATOM 1415 C GLN A 94 9.250 3.187 -11.947 1.00 0.00 C ATOM 1416 O GLN A 94 9.924 2.482 -11.198 1.00 0.00 O ATOM 1417 CB GLN A 94 8.282 2.199 -14.056 1.00 0.00 C ATOM 1418 CG GLN A 94 7.246 1.185 -14.544 1.00 0.00 C ATOM 1419 CD GLN A 94 6.801 1.501 -15.974 1.00 0.00 C ATOM 1420 OE1 GLN A 94 7.301 2.406 -16.621 1.00 0.00 O ATOM 1421 NE2 GLN A 94 5.836 0.707 -16.428 1.00 0.00 N ATOM 0 H GLN A 94 6.731 4.074 -13.457 1.00 0.00 H new ATOM 0 HA GLN A 94 7.675 1.743 -12.065 1.00 0.00 H new ATOM 0 HB2 GLN A 94 8.276 3.073 -14.708 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.279 1.763 -14.116 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.668 0.181 -14.504 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.382 1.194 -13.880 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.462 -0.032 -15.833 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.470 0.837 -17.371 1.00 0.00 H new ATOM 1430 N GLU A 95 9.528 4.449 -12.242 1.00 0.00 N ATOM 1431 CA GLU A 95 10.692 5.110 -11.679 1.00 0.00 C ATOM 1432 C GLU A 95 10.552 5.230 -10.160 1.00 0.00 C ATOM 1433 O GLU A 95 11.485 4.922 -9.420 1.00 0.00 O ATOM 1434 CB GLU A 95 10.907 6.483 -12.320 1.00 0.00 C ATOM 1435 CG GLU A 95 12.358 6.942 -12.160 1.00 0.00 C ATOM 1436 CD GLU A 95 12.933 7.416 -13.496 1.00 0.00 C ATOM 1437 OE1 GLU A 95 12.225 8.191 -14.176 1.00 0.00 O ATOM 1438 OE2 GLU A 95 14.067 6.993 -13.807 1.00 0.00 O ATOM 0 H GLU A 95 8.966 5.031 -12.864 1.00 0.00 H new ATOM 0 HA GLU A 95 11.571 4.503 -11.896 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.651 6.438 -13.378 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.239 7.211 -11.861 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.409 7.750 -11.431 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.962 6.122 -11.770 1.00 0.00 H new ATOM 1445 N PHE A 96 9.378 5.678 -9.740 1.00 0.00 N ATOM 1446 CA PHE A 96 9.103 5.842 -8.323 1.00 0.00 C ATOM 1447 C PHE A 96 9.430 4.564 -7.549 1.00 0.00 C ATOM 1448 O PHE A 96 10.194 4.595 -6.586 1.00 0.00 O ATOM 1449 CB PHE A 96 7.608 6.137 -8.188 1.00 0.00 C ATOM 1450 CG PHE A 96 7.092 6.093 -6.748 1.00 0.00 C ATOM 1451 CD1 PHE A 96 7.630 6.914 -5.808 1.00 0.00 C ATOM 1452 CD2 PHE A 96 6.095 5.231 -6.410 1.00 0.00 C ATOM 1453 CE1 PHE A 96 7.150 6.873 -4.471 1.00 0.00 C ATOM 1454 CE2 PHE A 96 5.616 5.190 -5.073 1.00 0.00 C ATOM 1455 CZ PHE A 96 6.154 6.012 -4.133 1.00 0.00 C ATOM 0 H PHE A 96 8.606 5.933 -10.356 1.00 0.00 H new ATOM 0 HA PHE A 96 9.715 6.647 -7.917 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.403 7.123 -8.606 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.050 5.415 -8.785 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.422 7.597 -6.077 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.668 4.579 -7.157 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.576 7.526 -3.724 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.825 4.506 -4.803 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.790 5.981 -3.117 1.00 0.00 H new ATOM 1465 N LEU A 97 8.835 3.469 -7.999 1.00 0.00 N ATOM 1466 CA LEU A 97 9.054 2.182 -7.362 1.00 0.00 C ATOM 1467 C LEU A 97 10.467 1.692 -7.682 1.00 0.00 C ATOM 1468 O LEU A 97 11.234 2.388 -8.346 1.00 0.00 O ATOM 1469 CB LEU A 97 7.955 1.193 -7.759 1.00 0.00 C ATOM 1470 CG LEU A 97 6.523 1.730 -7.719 1.00 0.00 C ATOM 1471 CD1 LEU A 97 5.589 0.863 -8.565 1.00 0.00 C ATOM 1472 CD2 LEU A 97 6.029 1.867 -6.277 1.00 0.00 C ATOM 0 H LEU A 97 8.201 3.447 -8.798 1.00 0.00 H new ATOM 0 HA LEU A 97 8.988 2.278 -6.278 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.161 0.838 -8.769 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.016 0.328 -7.098 1.00 0.00 H new ATOM 0 HG LEU A 97 6.520 2.728 -8.157 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.577 1.266 -8.519 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.932 0.860 -9.599 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.591 -0.157 -8.180 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.009 2.251 -6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.050 0.892 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.676 2.557 -5.735 1.00 0.00 H new ATOM 1484 N LYS A 98 10.770 0.497 -7.196 1.00 0.00 N ATOM 1485 CA LYS A 98 12.077 -0.094 -7.422 1.00 0.00 C ATOM 1486 C LYS A 98 12.011 -1.017 -8.640 1.00 0.00 C ATOM 1487 O LYS A 98 12.449 -2.165 -8.579 1.00 0.00 O ATOM 1488 CB LYS A 98 12.580 -0.786 -6.153 1.00 0.00 C ATOM 1489 CG LYS A 98 14.026 -0.391 -5.849 1.00 0.00 C ATOM 1490 CD LYS A 98 14.093 0.995 -5.205 1.00 0.00 C ATOM 1491 CE LYS A 98 15.534 1.504 -5.145 1.00 0.00 C ATOM 1492 NZ LYS A 98 15.753 2.562 -6.156 1.00 0.00 N ATOM 0 H LYS A 98 10.132 -0.078 -6.646 1.00 0.00 H new ATOM 0 HA LYS A 98 12.811 0.680 -7.647 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.942 -0.518 -5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.512 -1.867 -6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.475 -1.127 -5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.609 -0.396 -6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.480 1.694 -5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.677 0.953 -4.199 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.747 1.894 -4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 98 16.225 0.679 -5.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 16.736 2.896 -6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 15.570 2.178 -7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 15.107 3.356 -5.973 1.00 0.00 H new ATOM 1506 N LEU A 99 11.460 -0.481 -9.720 1.00 0.00 N ATOM 1507 CA LEU A 99 11.331 -1.242 -10.950 1.00 0.00 C ATOM 1508 C LEU A 99 12.416 -0.801 -11.934 1.00 0.00 C ATOM 1509 O LEU A 99 13.111 -1.635 -12.514 1.00 0.00 O ATOM 1510 CB LEU A 99 9.911 -1.124 -11.507 1.00 0.00 C ATOM 1511 CG LEU A 99 8.793 -1.668 -10.615 1.00 0.00 C ATOM 1512 CD1 LEU A 99 7.431 -1.526 -11.296 1.00 0.00 C ATOM 1513 CD2 LEU A 99 9.078 -3.112 -10.198 1.00 0.00 C ATOM 0 H LEU A 99 11.098 0.471 -9.768 1.00 0.00 H new ATOM 0 HA LEU A 99 11.486 -2.304 -10.759 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.708 -0.072 -11.710 1.00 0.00 H new ATOM 0 HB3 LEU A 99 9.872 -1.646 -12.463 1.00 0.00 H new ATOM 0 HG LEU A 99 8.761 -1.070 -9.704 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.654 -1.920 -10.641 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.234 -0.474 -11.500 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.433 -2.083 -12.233 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.268 -3.474 -9.565 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.153 -3.739 -11.086 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.017 -3.153 -9.645 1.00 0.00 H new ATOM 1525 N ALA A 100 12.529 0.510 -12.093 1.00 0.00 N ATOM 1526 CA ALA A 100 13.518 1.072 -12.997 1.00 0.00 C ATOM 1527 C ALA A 100 13.825 2.512 -12.578 1.00 0.00 C ATOM 1528 O ALA A 100 14.945 2.989 -12.757 1.00 0.00 O ATOM 1529 CB ALA A 100 13.006 0.980 -14.435 1.00 0.00 C ATOM 0 H ALA A 100 11.952 1.199 -11.611 1.00 0.00 H new ATOM 0 HA ALA A 100 14.449 0.508 -12.946 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.748 1.402 -15.113 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.831 -0.065 -14.693 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.074 1.537 -14.526 1.00 0.00 H new