USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 717 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 33 HIS : no HD1:sc= -2.04 K(o=-1.1,f=-3.4!) USER MOD Set 1.2: A 88 TYR OH : rot 7:sc= 0.799 USER MOD Set 1.3: A 91 GLN : amide:sc= 0.528 K(o=-1.1,f=-4.9!) USER MOD Set 1.4: A 92 GLN :FLIP amide:sc= -0.408 F(o=-2.8,f=-1.1) USER MOD Single : A 19 HIS : no HE2:sc= 0.619 K(o=0.62,f=-4.7!) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.773 F(o=-6.2!,f=-0.77) USER MOD Single : A 24 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0368) USER MOD Single : A 25 SER OG : rot 79:sc= 1.16 USER MOD Single : A 26 ASN : amide:sc= -0.603 K(o=-0.6,f=-3.3!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 37 THR OG1 : rot 180:sc=0.000943 USER MOD Single : A 38 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.31) USER MOD Single : A 39 CYS SG : rot -67:sc= -1.57 USER MOD Single : A 43 ASN :FLIP amide:sc= -2.81 F(o=-6.8!,f=-2.8) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= 1.1 (180deg=0.755) USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 49 TYR OH : rot 108:sc= 0.91 USER MOD Single : A 51 SER OG : rot 172:sc= 1.32 USER MOD Single : A 59 CYS SG : rot -27:sc= -4.05! USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 11:sc= 0.897 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= -0.975 (180deg=-2.89!) USER MOD Single : A 70 LYS NZ :NH3+ 174:sc=-0.00087 (180deg=-0.0342) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0593 USER MOD Single : A 78 LYS NZ :NH3+ -112:sc= 0.445 (180deg=-0.165) USER MOD Single : A 83 SER OG : rot -80:sc= 1.06 USER MOD Single : A 97 TYR OH : rot 82:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 18 -9.382 4.939 -0.347 1.00 0.69 N ATOM 82 CA PRO A 18 -9.157 5.245 -1.754 1.00 0.74 C ATOM 83 C PRO A 18 -7.886 4.603 -2.327 1.00 0.62 C ATOM 84 O PRO A 18 -7.960 3.701 -3.166 1.00 0.57 O ATOM 85 CB PRO A 18 -9.038 6.767 -1.744 1.00 0.95 C ATOM 86 CG PRO A 18 -8.457 7.101 -0.408 1.00 1.15 C ATOM 87 CD PRO A 18 -8.794 5.964 0.531 1.00 0.84 C ATOM 0 HA PRO A 18 -9.953 4.855 -2.388 1.00 0.74 H new ATOM 0 HB2 PRO A 18 -8.396 7.118 -2.552 1.00 0.95 H new ATOM 0 HB3 PRO A 18 -10.011 7.240 -1.881 1.00 0.95 H new ATOM 0 HG2 PRO A 18 -7.377 7.231 -0.481 1.00 1.15 H new ATOM 0 HG3 PRO A 18 -8.866 8.040 -0.036 1.00 1.15 H new ATOM 0 HD2 PRO A 18 -7.906 5.591 1.041 1.00 0.84 H new ATOM 0 HD3 PRO A 18 -9.496 6.279 1.303 1.00 0.84 H new ATOM 95 N HIS A 19 -6.722 5.049 -1.850 1.00 0.68 N ATOM 96 CA HIS A 19 -5.442 4.658 -2.440 1.00 0.70 C ATOM 97 C HIS A 19 -5.210 3.168 -2.273 1.00 0.61 C ATOM 98 O HIS A 19 -4.907 2.472 -3.235 1.00 0.63 O ATOM 99 CB HIS A 19 -4.276 5.420 -1.804 1.00 0.95 C ATOM 100 CG HIS A 19 -4.378 6.913 -1.887 1.00 0.54 C ATOM 101 ND1 HIS A 19 -4.743 7.700 -0.816 1.00 1.09 N ATOM 102 CD2 HIS A 19 -4.137 7.767 -2.910 1.00 1.06 C ATOM 103 CE1 HIS A 19 -4.720 8.968 -1.174 1.00 1.26 C ATOM 104 NE2 HIS A 19 -4.353 9.042 -2.441 1.00 1.23 N ATOM 0 H HIS A 19 -6.641 5.683 -1.055 1.00 0.68 H new ATOM 0 HA HIS A 19 -5.487 4.906 -3.500 1.00 0.70 H new ATOM 0 HB2 HIS A 19 -4.203 5.133 -0.755 1.00 0.95 H new ATOM 0 HB3 HIS A 19 -3.350 5.106 -2.286 1.00 0.95 H new ATOM 0 HD1 HIS A 19 -4.992 7.354 0.111 1.00 1.09 H new ATOM 0 HD2 HIS A 19 -3.831 7.497 -3.910 1.00 1.06 H new ATOM 0 HE1 HIS A 19 -4.961 9.807 -0.538 1.00 1.26 H new ATOM 113 N ILE A 20 -5.382 2.687 -1.047 1.00 0.60 N ATOM 114 CA ILE A 20 -5.145 1.284 -0.728 1.00 0.61 C ATOM 115 C ILE A 20 -6.014 0.356 -1.561 1.00 0.55 C ATOM 116 O ILE A 20 -5.580 -0.727 -1.953 1.00 0.62 O ATOM 117 CB ILE A 20 -5.360 0.986 0.767 1.00 0.65 C ATOM 118 CG1 ILE A 20 -6.677 1.585 1.272 1.00 0.93 C ATOM 119 CG2 ILE A 20 -4.187 1.509 1.565 1.00 1.21 C ATOM 120 CD1 ILE A 20 -6.835 1.523 2.777 1.00 0.90 C ATOM 0 H ILE A 20 -5.686 3.251 -0.254 1.00 0.60 H new ATOM 0 HA ILE A 20 -4.100 1.095 -0.972 1.00 0.61 H new ATOM 0 HB ILE A 20 -5.425 -0.094 0.899 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -6.740 2.625 0.951 1.00 0.93 H new ATOM 0 HG13 ILE A 20 -7.509 1.057 0.806 1.00 0.93 H new ATOM 0 HG21 ILE A 20 -4.343 1.296 2.623 1.00 1.21 H new ATOM 0 HG22 ILE A 20 -3.272 1.022 1.228 1.00 1.21 H new ATOM 0 HG23 ILE A 20 -4.100 2.586 1.420 1.00 1.21 H new ATOM 0 HD11 ILE A 20 -7.790 1.965 3.061 1.00 0.90 H new ATOM 0 HD12 ILE A 20 -6.805 0.483 3.103 1.00 0.90 H new ATOM 0 HD13 ILE A 20 -6.024 2.076 3.251 1.00 0.90 H new ATOM 132 N GLN A 21 -7.243 0.772 -1.815 1.00 0.49 N ATOM 133 CA GLN A 21 -8.177 -0.045 -2.566 1.00 0.50 C ATOM 134 C GLN A 21 -7.708 -0.228 -4.010 1.00 0.50 C ATOM 135 O GLN A 21 -7.773 -1.328 -4.546 1.00 0.57 O ATOM 136 CB GLN A 21 -9.579 0.547 -2.485 1.00 0.56 C ATOM 137 CG GLN A 21 -10.597 -0.379 -1.817 1.00 0.93 C ATOM 138 CD GLN A 21 -10.323 -0.686 -0.340 1.00 1.00 C ATOM 139 OE1 GLN A 21 -9.060 -0.737 0.066 1.00 1.72 O flip ATOM 140 NE2 GLN A 21 -11.256 -0.899 0.434 1.00 0.82 N flip ATOM 0 H GLN A 21 -7.616 1.671 -1.511 1.00 0.49 H new ATOM 0 HA GLN A 21 -8.214 -1.039 -2.120 1.00 0.50 H new ATOM 0 HB2 GLN A 21 -9.537 1.486 -1.932 1.00 0.56 H new ATOM 0 HB3 GLN A 21 -9.923 0.785 -3.492 1.00 0.56 H new ATOM 0 HG2 GLN A 21 -11.586 0.072 -1.901 1.00 0.93 H new ATOM 0 HG3 GLN A 21 -10.627 -1.319 -2.368 1.00 0.93 H new ATOM 0 HE21 GLN A 21 -12.218 -0.854 0.098 1.00 0.82 H new ATOM 0 HE22 GLN A 21 -11.067 -1.121 1.412 1.00 0.82 H new ATOM 149 N LEU A 22 -7.231 0.837 -4.644 1.00 0.51 N ATOM 150 CA LEU A 22 -6.525 0.693 -5.905 1.00 0.54 C ATOM 151 C LEU A 22 -5.228 -0.101 -5.704 1.00 0.50 C ATOM 152 O LEU A 22 -4.918 -1.003 -6.483 1.00 0.49 O ATOM 153 CB LEU A 22 -6.286 2.094 -6.524 1.00 0.65 C ATOM 154 CG LEU A 22 -5.133 2.286 -7.546 1.00 1.06 C ATOM 155 CD1 LEU A 22 -3.776 2.380 -6.860 1.00 0.75 C ATOM 156 CD2 LEU A 22 -5.123 1.190 -8.601 1.00 1.93 C ATOM 0 H LEU A 22 -7.320 1.796 -4.309 1.00 0.51 H new ATOM 0 HA LEU A 22 -7.129 0.122 -6.611 1.00 0.54 H new ATOM 0 HB2 LEU A 22 -7.211 2.398 -7.013 1.00 0.65 H new ATOM 0 HB3 LEU A 22 -6.115 2.790 -5.703 1.00 0.65 H new ATOM 0 HG LEU A 22 -5.321 3.235 -8.049 1.00 1.06 H new ATOM 0 HD11 LEU A 22 -2.997 2.514 -7.611 1.00 0.75 H new ATOM 0 HD12 LEU A 22 -3.772 3.230 -6.177 1.00 0.75 H new ATOM 0 HD13 LEU A 22 -3.587 1.464 -6.301 1.00 0.75 H new ATOM 0 HD21 LEU A 22 -4.301 1.362 -9.296 1.00 1.93 H new ATOM 0 HD22 LEU A 22 -4.993 0.221 -8.118 1.00 1.93 H new ATOM 0 HD23 LEU A 22 -6.067 1.201 -9.146 1.00 1.93 H new ATOM 168 N LEU A 23 -4.513 0.200 -4.628 1.00 0.51 N ATOM 169 CA LEU A 23 -3.165 -0.293 -4.428 1.00 0.51 C ATOM 170 C LEU A 23 -3.098 -1.822 -4.348 1.00 0.46 C ATOM 171 O LEU A 23 -2.293 -2.438 -5.041 1.00 0.48 O ATOM 172 CB LEU A 23 -2.602 0.331 -3.154 1.00 0.61 C ATOM 173 CG LEU A 23 -1.101 0.188 -2.980 1.00 0.73 C ATOM 174 CD1 LEU A 23 -0.361 1.043 -4.000 1.00 1.47 C ATOM 175 CD2 LEU A 23 -0.688 0.553 -1.562 1.00 1.03 C ATOM 0 H LEU A 23 -4.855 0.793 -3.872 1.00 0.51 H new ATOM 0 HA LEU A 23 -2.567 -0.006 -5.293 1.00 0.51 H new ATOM 0 HB2 LEU A 23 -2.855 1.391 -3.144 1.00 0.61 H new ATOM 0 HB3 LEU A 23 -3.097 -0.123 -2.295 1.00 0.61 H new ATOM 0 HG LEU A 23 -0.832 -0.854 -3.152 1.00 0.73 H new ATOM 0 HD11 LEU A 23 0.714 0.928 -3.860 1.00 1.47 H new ATOM 0 HD12 LEU A 23 -0.632 0.725 -5.007 1.00 1.47 H new ATOM 0 HD13 LEU A 23 -0.634 2.089 -3.864 1.00 1.47 H new ATOM 0 HD21 LEU A 23 0.392 0.444 -1.458 1.00 1.03 H new ATOM 0 HD22 LEU A 23 -0.970 1.585 -1.355 1.00 1.03 H new ATOM 0 HD23 LEU A 23 -1.189 -0.108 -0.855 1.00 1.03 H new ATOM 187 N LYS A 24 -3.946 -2.447 -3.529 1.00 0.45 N ATOM 188 CA LYS A 24 -3.935 -3.906 -3.440 1.00 0.46 C ATOM 189 C LYS A 24 -4.464 -4.533 -4.727 1.00 0.44 C ATOM 190 O LYS A 24 -4.082 -5.640 -5.082 1.00 0.49 O ATOM 191 CB LYS A 24 -4.658 -4.471 -2.201 1.00 0.51 C ATOM 192 CG LYS A 24 -6.130 -4.820 -2.402 1.00 0.53 C ATOM 193 CD LYS A 24 -7.017 -3.601 -2.566 1.00 1.12 C ATOM 194 CE LYS A 24 -8.346 -3.977 -3.210 1.00 1.24 C ATOM 195 NZ LYS A 24 -9.092 -4.995 -2.423 1.00 1.92 N ATOM 0 H LYS A 24 -4.631 -1.981 -2.934 1.00 0.45 H new ATOM 0 HA LYS A 24 -2.889 -4.187 -3.312 1.00 0.46 H new ATOM 0 HB2 LYS A 24 -4.132 -5.367 -1.872 1.00 0.51 H new ATOM 0 HB3 LYS A 24 -4.582 -3.742 -1.394 1.00 0.51 H new ATOM 0 HG2 LYS A 24 -6.229 -5.454 -3.283 1.00 0.53 H new ATOM 0 HG3 LYS A 24 -6.478 -5.402 -1.549 1.00 0.53 H new ATOM 0 HD2 LYS A 24 -7.197 -3.144 -1.593 1.00 1.12 H new ATOM 0 HD3 LYS A 24 -6.509 -2.857 -3.179 1.00 1.12 H new ATOM 0 HE2 LYS A 24 -8.960 -3.083 -3.317 1.00 1.24 H new ATOM 0 HE3 LYS A 24 -8.164 -4.360 -4.214 1.00 1.24 H new ATOM 0 HZ1 LYS A 24 -10.043 -5.117 -2.826 1.00 1.92 H new ATOM 0 HZ2 LYS A 24 -8.583 -5.901 -2.456 1.00 1.92 H new ATOM 0 HZ3 LYS A 24 -9.173 -4.679 -1.435 1.00 1.92 H new ATOM 209 N SER A 25 -5.372 -3.845 -5.410 1.00 0.43 N ATOM 210 CA SER A 25 -5.900 -4.342 -6.677 1.00 0.50 C ATOM 211 C SER A 25 -4.770 -4.601 -7.673 1.00 0.52 C ATOM 212 O SER A 25 -4.926 -5.375 -8.622 1.00 0.74 O ATOM 213 CB SER A 25 -6.911 -3.357 -7.256 1.00 0.55 C ATOM 214 OG SER A 25 -8.000 -3.183 -6.368 1.00 1.00 O ATOM 0 H SER A 25 -5.756 -2.948 -5.112 1.00 0.43 H new ATOM 0 HA SER A 25 -6.408 -5.288 -6.488 1.00 0.50 H new ATOM 0 HB2 SER A 25 -6.428 -2.397 -7.440 1.00 0.55 H new ATOM 0 HB3 SER A 25 -7.273 -3.722 -8.217 1.00 0.55 H new ATOM 0 HG SER A 25 -7.741 -2.569 -5.650 1.00 1.00 H new ATOM 220 N ASN A 26 -3.628 -3.961 -7.447 1.00 0.41 N ATOM 221 CA ASN A 26 -2.435 -4.261 -8.212 1.00 0.47 C ATOM 222 C ASN A 26 -1.262 -4.550 -7.265 1.00 0.45 C ATOM 223 O ASN A 26 -0.118 -4.212 -7.542 1.00 0.46 O ATOM 224 CB ASN A 26 -2.118 -3.130 -9.213 1.00 0.55 C ATOM 225 CG ASN A 26 -1.702 -1.810 -8.575 1.00 0.65 C ATOM 226 OD1 ASN A 26 -0.519 -1.517 -8.446 1.00 1.50 O ATOM 227 ND2 ASN A 26 -2.671 -0.998 -8.183 1.00 0.74 N ATOM 0 H ASN A 26 -3.509 -3.234 -6.741 1.00 0.41 H new ATOM 0 HA ASN A 26 -2.609 -5.159 -8.805 1.00 0.47 H new ATOM 0 HB2 ASN A 26 -1.320 -3.464 -9.876 1.00 0.55 H new ATOM 0 HB3 ASN A 26 -2.997 -2.956 -9.834 1.00 0.55 H new ATOM 0 HD21 ASN A 26 -2.443 -0.099 -7.759 1.00 0.74 H new ATOM 0 HD22 ASN A 26 -3.646 -1.272 -8.305 1.00 0.74 H new ATOM 234 N ARG A 27 -1.577 -5.207 -6.143 1.00 0.46 N ATOM 235 CA ARG A 27 -0.580 -5.613 -5.138 1.00 0.50 C ATOM 236 C ARG A 27 0.584 -6.368 -5.780 1.00 0.48 C ATOM 237 O ARG A 27 1.755 -6.125 -5.475 1.00 0.54 O ATOM 238 CB ARG A 27 -1.249 -6.502 -4.078 1.00 0.57 C ATOM 239 CG ARG A 27 -1.982 -7.698 -4.673 1.00 1.30 C ATOM 240 CD ARG A 27 -3.138 -8.177 -3.808 1.00 2.15 C ATOM 241 NE ARG A 27 -4.172 -8.794 -4.640 1.00 3.26 N ATOM 242 CZ ARG A 27 -4.283 -10.106 -4.860 1.00 4.21 C ATOM 243 NH1 ARG A 27 -3.562 -10.971 -4.164 1.00 4.46 N ATOM 244 NH2 ARG A 27 -5.163 -10.553 -5.748 1.00 5.24 N ATOM 0 H ARG A 27 -2.532 -5.474 -5.903 1.00 0.46 H new ATOM 0 HA ARG A 27 -0.183 -4.712 -4.671 1.00 0.50 H new ATOM 0 HB2 ARG A 27 -0.490 -6.859 -3.381 1.00 0.57 H new ATOM 0 HB3 ARG A 27 -1.954 -5.902 -3.502 1.00 0.57 H new ATOM 0 HG2 ARG A 27 -2.360 -7.431 -5.660 1.00 1.30 H new ATOM 0 HG3 ARG A 27 -1.276 -8.517 -4.813 1.00 1.30 H new ATOM 0 HD2 ARG A 27 -2.777 -8.895 -3.072 1.00 2.15 H new ATOM 0 HD3 ARG A 27 -3.559 -7.338 -3.255 1.00 2.15 H new ATOM 0 HE ARG A 27 -4.855 -8.179 -5.082 1.00 3.26 H new ATOM 0 HH11 ARG A 27 -2.913 -10.637 -3.451 1.00 4.46 H new ATOM 0 HH12 ARG A 27 -3.655 -11.971 -4.341 1.00 4.46 H new ATOM 0 HH21 ARG A 27 -5.751 -9.895 -6.259 1.00 5.24 H new ATOM 0 HH22 ARG A 27 -5.251 -11.555 -5.919 1.00 5.24 H new ATOM 258 N GLU A 28 0.234 -7.291 -6.662 1.00 0.51 N ATOM 259 CA GLU A 28 1.202 -8.063 -7.425 1.00 0.59 C ATOM 260 C GLU A 28 2.046 -7.159 -8.321 1.00 0.55 C ATOM 261 O GLU A 28 3.224 -7.421 -8.555 1.00 0.60 O ATOM 262 CB GLU A 28 0.467 -9.121 -8.245 1.00 0.74 C ATOM 263 CG GLU A 28 -0.837 -8.620 -8.846 1.00 1.08 C ATOM 264 CD GLU A 28 -1.609 -9.717 -9.537 1.00 1.55 C ATOM 265 OE1 GLU A 28 -2.388 -10.421 -8.861 1.00 1.93 O ATOM 266 OE2 GLU A 28 -1.442 -9.880 -10.762 1.00 2.17 O ATOM 0 H GLU A 28 -0.736 -7.527 -6.870 1.00 0.51 H new ATOM 0 HA GLU A 28 1.886 -8.558 -6.736 1.00 0.59 H new ATOM 0 HB2 GLU A 28 1.119 -9.466 -9.047 1.00 0.74 H new ATOM 0 HB3 GLU A 28 0.259 -9.982 -7.610 1.00 0.74 H new ATOM 0 HG2 GLU A 28 -1.454 -8.185 -8.059 1.00 1.08 H new ATOM 0 HG3 GLU A 28 -0.623 -7.824 -9.560 1.00 1.08 H new ATOM 273 N LEU A 29 1.445 -6.083 -8.803 1.00 0.51 N ATOM 274 CA LEU A 29 2.164 -5.116 -9.612 1.00 0.52 C ATOM 275 C LEU A 29 3.182 -4.365 -8.752 1.00 0.49 C ATOM 276 O LEU A 29 4.275 -4.053 -9.213 1.00 0.50 O ATOM 277 CB LEU A 29 1.192 -4.140 -10.283 1.00 0.54 C ATOM 278 CG LEU A 29 1.813 -3.211 -11.327 1.00 0.62 C ATOM 279 CD1 LEU A 29 2.420 -4.015 -12.465 1.00 1.13 C ATOM 280 CD2 LEU A 29 0.768 -2.242 -11.857 1.00 0.57 C ATOM 0 H LEU A 29 0.462 -5.859 -8.648 1.00 0.51 H new ATOM 0 HA LEU A 29 2.699 -5.648 -10.398 1.00 0.52 H new ATOM 0 HB2 LEU A 29 0.397 -4.715 -10.759 1.00 0.54 H new ATOM 0 HB3 LEU A 29 0.725 -3.530 -9.510 1.00 0.54 H new ATOM 0 HG LEU A 29 2.609 -2.638 -10.851 1.00 0.62 H new ATOM 0 HD11 LEU A 29 2.857 -3.336 -13.198 1.00 1.13 H new ATOM 0 HD12 LEU A 29 3.195 -4.673 -12.073 1.00 1.13 H new ATOM 0 HD13 LEU A 29 1.644 -4.613 -12.942 1.00 1.13 H new ATOM 0 HD21 LEU A 29 1.223 -1.586 -12.599 1.00 0.57 H new ATOM 0 HD22 LEU A 29 -0.046 -2.801 -12.317 1.00 0.57 H new ATOM 0 HD23 LEU A 29 0.377 -1.643 -11.035 1.00 0.57 H new ATOM 292 N LEU A 30 2.824 -4.082 -7.500 1.00 0.50 N ATOM 293 CA LEU A 30 3.755 -3.447 -6.562 1.00 0.54 C ATOM 294 C LEU A 30 4.980 -4.320 -6.323 1.00 0.48 C ATOM 295 O LEU A 30 6.112 -3.837 -6.366 1.00 0.50 O ATOM 296 CB LEU A 30 3.117 -3.177 -5.198 1.00 0.68 C ATOM 297 CG LEU A 30 2.288 -1.899 -5.051 1.00 0.84 C ATOM 298 CD1 LEU A 30 1.093 -1.906 -5.978 1.00 0.91 C ATOM 299 CD2 LEU A 30 1.833 -1.749 -3.610 1.00 1.04 C ATOM 0 H LEU A 30 1.902 -4.280 -7.111 1.00 0.50 H new ATOM 0 HA LEU A 30 4.037 -2.502 -7.027 1.00 0.54 H new ATOM 0 HB2 LEU A 30 2.477 -4.024 -4.951 1.00 0.68 H new ATOM 0 HB3 LEU A 30 3.912 -3.151 -4.453 1.00 0.68 H new ATOM 0 HG LEU A 30 2.915 -1.051 -5.326 1.00 0.84 H new ATOM 0 HD11 LEU A 30 0.526 -0.984 -5.848 1.00 0.91 H new ATOM 0 HD12 LEU A 30 1.434 -1.980 -7.011 1.00 0.91 H new ATOM 0 HD13 LEU A 30 0.456 -2.759 -5.744 1.00 0.91 H new ATOM 0 HD21 LEU A 30 1.243 -0.838 -3.508 1.00 1.04 H new ATOM 0 HD22 LEU A 30 1.225 -2.609 -3.329 1.00 1.04 H new ATOM 0 HD23 LEU A 30 2.704 -1.692 -2.957 1.00 1.04 H new ATOM 311 N VAL A 31 4.749 -5.605 -6.052 1.00 0.45 N ATOM 312 CA VAL A 31 5.839 -6.501 -5.694 1.00 0.45 C ATOM 313 C VAL A 31 6.820 -6.657 -6.860 1.00 0.46 C ATOM 314 O VAL A 31 8.035 -6.640 -6.663 1.00 0.54 O ATOM 315 CB VAL A 31 5.339 -7.887 -5.198 1.00 0.45 C ATOM 316 CG1 VAL A 31 4.647 -8.681 -6.291 1.00 1.20 C ATOM 317 CG2 VAL A 31 6.487 -8.687 -4.606 1.00 1.29 C ATOM 0 H VAL A 31 3.827 -6.041 -6.074 1.00 0.45 H new ATOM 0 HA VAL A 31 6.363 -6.041 -4.856 1.00 0.45 H new ATOM 0 HB VAL A 31 4.597 -7.698 -4.422 1.00 0.45 H new ATOM 0 HG11 VAL A 31 4.318 -9.640 -5.891 1.00 1.20 H new ATOM 0 HG12 VAL A 31 3.784 -8.124 -6.654 1.00 1.20 H new ATOM 0 HG13 VAL A 31 5.342 -8.850 -7.113 1.00 1.20 H new ATOM 0 HG21 VAL A 31 6.118 -9.654 -4.264 1.00 1.29 H new ATOM 0 HG22 VAL A 31 7.254 -8.839 -5.365 1.00 1.29 H new ATOM 0 HG23 VAL A 31 6.913 -8.143 -3.763 1.00 1.29 H new ATOM 327 N THR A 32 6.289 -6.787 -8.073 1.00 0.45 N ATOM 328 CA THR A 32 7.125 -6.862 -9.263 1.00 0.51 C ATOM 329 C THR A 32 7.767 -5.500 -9.573 1.00 0.49 C ATOM 330 O THR A 32 8.867 -5.440 -10.125 1.00 0.55 O ATOM 331 CB THR A 32 6.345 -7.394 -10.497 1.00 0.58 C ATOM 332 OG1 THR A 32 7.249 -7.659 -11.575 1.00 0.71 O ATOM 333 CG2 THR A 32 5.282 -6.411 -10.965 1.00 0.59 C ATOM 0 H THR A 32 5.287 -6.842 -8.255 1.00 0.45 H new ATOM 0 HA THR A 32 7.918 -7.578 -9.048 1.00 0.51 H new ATOM 0 HB THR A 32 5.847 -8.314 -10.192 1.00 0.58 H new ATOM 0 HG1 THR A 32 6.748 -7.995 -12.347 1.00 0.71 H new ATOM 0 HG21 THR A 32 4.761 -6.823 -11.829 1.00 0.59 H new ATOM 0 HG22 THR A 32 4.568 -6.237 -10.160 1.00 0.59 H new ATOM 0 HG23 THR A 32 5.754 -5.468 -11.241 1.00 0.59 H new ATOM 341 N HIS A 33 7.075 -4.414 -9.207 1.00 0.43 N ATOM 342 CA HIS A 33 7.559 -3.053 -9.465 1.00 0.45 C ATOM 343 C HIS A 33 8.949 -2.827 -8.890 1.00 0.51 C ATOM 344 O HIS A 33 9.895 -2.571 -9.630 1.00 0.68 O ATOM 345 CB HIS A 33 6.575 -2.000 -8.917 1.00 0.47 C ATOM 346 CG HIS A 33 5.658 -1.459 -9.976 1.00 0.52 C ATOM 347 ND1 HIS A 33 4.428 -0.895 -9.708 1.00 1.27 N ATOM 348 CD2 HIS A 33 5.807 -1.400 -11.321 1.00 1.18 C ATOM 349 CE1 HIS A 33 3.868 -0.512 -10.841 1.00 1.03 C ATOM 350 NE2 HIS A 33 4.682 -0.809 -11.834 1.00 0.85 N ATOM 0 H HIS A 33 6.175 -4.452 -8.729 1.00 0.43 H new ATOM 0 HA HIS A 33 7.624 -2.939 -10.547 1.00 0.45 H new ATOM 0 HB2 HIS A 33 5.980 -2.445 -8.119 1.00 0.47 H new ATOM 0 HB3 HIS A 33 7.138 -1.178 -8.475 1.00 0.47 H new ATOM 0 HD2 HIS A 33 6.657 -1.754 -11.886 1.00 1.18 H new ATOM 0 HE1 HIS A 33 2.904 -0.035 -10.938 1.00 1.03 H new ATOM 0 HE2 HIS A 33 4.504 -0.629 -12.822 1.00 0.85 H new ATOM 359 N ILE A 34 9.082 -2.939 -7.579 1.00 0.51 N ATOM 360 CA ILE A 34 10.365 -2.685 -6.938 1.00 0.62 C ATOM 361 C ILE A 34 10.618 -3.625 -5.763 1.00 0.55 C ATOM 362 O ILE A 34 11.001 -4.779 -5.952 1.00 0.63 O ATOM 363 CB ILE A 34 10.519 -1.209 -6.476 1.00 0.85 C ATOM 364 CG1 ILE A 34 9.159 -0.499 -6.344 1.00 1.71 C ATOM 365 CG2 ILE A 34 11.416 -0.448 -7.438 1.00 1.51 C ATOM 366 CD1 ILE A 34 8.299 -0.986 -5.196 1.00 2.62 C ATOM 0 H ILE A 34 8.329 -3.201 -6.943 1.00 0.51 H new ATOM 0 HA ILE A 34 11.117 -2.879 -7.703 1.00 0.62 H new ATOM 0 HB ILE A 34 10.978 -1.223 -5.487 1.00 0.85 H new ATOM 0 HG12 ILE A 34 9.333 0.570 -6.222 1.00 1.71 H new ATOM 0 HG13 ILE A 34 8.606 -0.627 -7.274 1.00 1.71 H new ATOM 0 HG21 ILE A 34 11.516 0.584 -7.103 1.00 1.51 H new ATOM 0 HG22 ILE A 34 12.400 -0.917 -7.466 1.00 1.51 H new ATOM 0 HG23 ILE A 34 10.977 -0.465 -8.436 1.00 1.51 H new ATOM 0 HD11 ILE A 34 7.362 -0.429 -5.182 1.00 2.62 H new ATOM 0 HD12 ILE A 34 8.088 -2.048 -5.324 1.00 2.62 H new ATOM 0 HD13 ILE A 34 8.827 -0.832 -4.255 1.00 2.62 H new ATOM 378 N ARG A 35 10.391 -3.129 -4.558 1.00 0.67 N ATOM 379 CA ARG A 35 10.645 -3.896 -3.344 1.00 0.80 C ATOM 380 C ARG A 35 9.350 -4.425 -2.761 1.00 0.71 C ATOM 381 O ARG A 35 9.337 -5.462 -2.103 1.00 0.79 O ATOM 382 CB ARG A 35 11.330 -3.016 -2.295 1.00 1.03 C ATOM 383 CG ARG A 35 12.722 -2.552 -2.677 1.00 1.54 C ATOM 384 CD ARG A 35 13.736 -3.676 -2.560 1.00 1.54 C ATOM 385 NE ARG A 35 15.095 -3.199 -2.783 1.00 1.79 N ATOM 386 CZ ARG A 35 15.973 -2.958 -1.809 1.00 2.43 C ATOM 387 NH1 ARG A 35 15.650 -3.160 -0.537 1.00 2.85 N ATOM 388 NH2 ARG A 35 17.185 -2.517 -2.112 1.00 3.25 N ATOM 0 H ARG A 35 10.028 -2.190 -4.391 1.00 0.67 H new ATOM 0 HA ARG A 35 11.292 -4.733 -3.608 1.00 0.80 H new ATOM 0 HB2 ARG A 35 10.707 -2.141 -2.110 1.00 1.03 H new ATOM 0 HB3 ARG A 35 11.389 -3.569 -1.358 1.00 1.03 H new ATOM 0 HG2 ARG A 35 12.713 -2.174 -3.699 1.00 1.54 H new ATOM 0 HG3 ARG A 35 13.020 -1.724 -2.034 1.00 1.54 H new ATOM 0 HD2 ARG A 35 13.666 -4.128 -1.571 1.00 1.54 H new ATOM 0 HD3 ARG A 35 13.500 -4.456 -3.284 1.00 1.54 H new ATOM 0 HE ARG A 35 15.393 -3.039 -3.745 1.00 1.79 H new ATOM 0 HH11 ARG A 35 14.721 -3.504 -0.295 1.00 2.85 H new ATOM 0 HH12 ARG A 35 16.331 -2.972 0.198 1.00 2.85 H new ATOM 0 HH21 ARG A 35 17.443 -2.363 -3.087 1.00 3.25 H new ATOM 0 HH22 ARG A 35 17.860 -2.331 -1.370 1.00 3.25 H new ATOM 402 N ASN A 36 8.263 -3.690 -3.017 1.00 0.62 N ATOM 403 CA ASN A 36 6.966 -3.932 -2.380 1.00 0.60 C ATOM 404 C ASN A 36 7.030 -3.566 -0.896 1.00 0.64 C ATOM 405 O ASN A 36 6.281 -2.717 -0.435 1.00 1.01 O ATOM 406 CB ASN A 36 6.507 -5.388 -2.551 1.00 0.69 C ATOM 407 CG ASN A 36 5.158 -5.656 -1.903 1.00 0.79 C ATOM 408 OD1 ASN A 36 5.081 -6.042 -0.740 1.00 1.26 O ATOM 409 ND2 ASN A 36 4.084 -5.462 -2.653 1.00 1.53 N ATOM 0 H ASN A 36 8.259 -2.909 -3.673 1.00 0.62 H new ATOM 0 HA ASN A 36 6.232 -3.297 -2.876 1.00 0.60 H new ATOM 0 HB2 ASN A 36 6.449 -5.624 -3.613 1.00 0.69 H new ATOM 0 HB3 ASN A 36 7.253 -6.054 -2.117 1.00 0.69 H new ATOM 0 HD21 ASN A 36 3.155 -5.634 -2.268 1.00 1.53 H new ATOM 0 HD22 ASN A 36 4.186 -5.141 -3.616 1.00 1.53 H new ATOM 416 N THR A 37 7.981 -4.168 -0.186 1.00 0.61 N ATOM 417 CA THR A 37 8.135 -4.019 1.261 1.00 0.65 C ATOM 418 C THR A 37 8.243 -2.562 1.729 1.00 0.54 C ATOM 419 O THR A 37 8.012 -2.268 2.901 1.00 0.46 O ATOM 420 CB THR A 37 9.381 -4.779 1.731 1.00 0.79 C ATOM 421 OG1 THR A 37 10.488 -4.438 0.889 1.00 1.15 O ATOM 422 CG2 THR A 37 9.150 -6.282 1.694 1.00 1.47 C ATOM 0 H THR A 37 8.678 -4.783 -0.606 1.00 0.61 H new ATOM 0 HA THR A 37 7.227 -4.430 1.702 1.00 0.65 H new ATOM 0 HB THR A 37 9.596 -4.494 2.761 1.00 0.79 H new ATOM 0 HG1 THR A 37 11.287 -4.921 1.187 1.00 1.15 H new ATOM 0 HG21 THR A 37 10.049 -6.797 2.032 1.00 1.47 H new ATOM 0 HG22 THR A 37 8.317 -6.538 2.349 1.00 1.47 H new ATOM 0 HG23 THR A 37 8.918 -6.589 0.674 1.00 1.47 H new ATOM 430 N GLN A 38 8.587 -1.651 0.830 1.00 0.58 N ATOM 431 CA GLN A 38 8.695 -0.239 1.191 1.00 0.56 C ATOM 432 C GLN A 38 7.387 0.278 1.793 1.00 0.50 C ATOM 433 O GLN A 38 7.389 1.187 2.628 1.00 0.47 O ATOM 434 CB GLN A 38 9.088 0.603 -0.021 1.00 0.68 C ATOM 435 CG GLN A 38 10.489 0.320 -0.544 1.00 0.95 C ATOM 436 CD GLN A 38 11.555 0.496 0.522 1.00 1.16 C ATOM 437 OE1 GLN A 38 11.917 -0.455 1.213 1.00 1.88 O ATOM 438 NE2 GLN A 38 12.049 1.715 0.673 1.00 1.52 N ATOM 0 H GLN A 38 8.795 -1.858 -0.147 1.00 0.58 H new ATOM 0 HA GLN A 38 9.477 -0.149 1.945 1.00 0.56 H new ATOM 0 HB2 GLN A 38 8.370 0.426 -0.822 1.00 0.68 H new ATOM 0 HB3 GLN A 38 9.016 1.658 0.244 1.00 0.68 H new ATOM 0 HG2 GLN A 38 10.530 -0.699 -0.930 1.00 0.95 H new ATOM 0 HG3 GLN A 38 10.703 0.986 -1.380 1.00 0.95 H new ATOM 0 HE21 GLN A 38 11.721 2.476 0.078 1.00 1.52 H new ATOM 0 HE22 GLN A 38 12.758 1.893 1.384 1.00 1.52 H new ATOM 447 N CYS A 39 6.272 -0.316 1.384 1.00 0.53 N ATOM 448 CA CYS A 39 4.973 0.072 1.912 1.00 0.55 C ATOM 449 C CYS A 39 4.850 -0.315 3.384 1.00 0.46 C ATOM 450 O CYS A 39 4.439 0.492 4.218 1.00 0.47 O ATOM 451 CB CYS A 39 3.847 -0.589 1.106 1.00 0.66 C ATOM 452 SG CYS A 39 3.948 -2.386 1.008 1.00 1.48 S ATOM 0 H CYS A 39 6.243 -1.064 0.692 1.00 0.53 H new ATOM 0 HA CYS A 39 4.884 1.155 1.826 1.00 0.55 H new ATOM 0 HB2 CYS A 39 2.891 -0.316 1.552 1.00 0.66 H new ATOM 0 HB3 CYS A 39 3.855 -0.182 0.095 1.00 0.66 H new ATOM 0 HG CYS A 39 4.990 -2.725 0.308 1.00 1.48 H new ATOM 458 N LEU A 40 5.231 -1.546 3.696 1.00 0.40 N ATOM 459 CA LEU A 40 5.080 -2.075 5.039 1.00 0.37 C ATOM 460 C LEU A 40 6.041 -1.436 6.031 1.00 0.28 C ATOM 461 O LEU A 40 5.681 -1.248 7.183 1.00 0.30 O ATOM 462 CB LEU A 40 5.179 -3.607 5.057 1.00 0.40 C ATOM 463 CG LEU A 40 6.395 -4.223 4.356 1.00 0.39 C ATOM 464 CD1 LEU A 40 7.602 -4.251 5.283 1.00 0.45 C ATOM 465 CD2 LEU A 40 6.075 -5.629 3.874 1.00 0.48 C ATOM 0 H LEU A 40 5.649 -2.198 3.032 1.00 0.40 H new ATOM 0 HA LEU A 40 4.076 -1.807 5.368 1.00 0.37 H new ATOM 0 HB2 LEU A 40 5.181 -3.936 6.096 1.00 0.40 H new ATOM 0 HB3 LEU A 40 4.278 -4.012 4.596 1.00 0.40 H new ATOM 0 HG LEU A 40 6.637 -3.601 3.495 1.00 0.39 H new ATOM 0 HD11 LEU A 40 8.451 -4.693 4.761 1.00 0.45 H new ATOM 0 HD12 LEU A 40 7.851 -3.234 5.586 1.00 0.45 H new ATOM 0 HD13 LEU A 40 7.369 -4.846 6.166 1.00 0.45 H new ATOM 0 HD21 LEU A 40 6.949 -6.052 3.379 1.00 0.48 H new ATOM 0 HD22 LEU A 40 5.804 -6.253 4.726 1.00 0.48 H new ATOM 0 HD23 LEU A 40 5.242 -5.592 3.172 1.00 0.48 H new ATOM 477 N VAL A 41 7.264 -1.124 5.607 1.00 0.24 N ATOM 478 CA VAL A 41 8.228 -0.517 6.524 1.00 0.23 C ATOM 479 C VAL A 41 7.769 0.859 6.994 1.00 0.24 C ATOM 480 O VAL A 41 7.808 1.152 8.190 1.00 0.26 O ATOM 481 CB VAL A 41 9.647 -0.394 5.936 1.00 0.28 C ATOM 482 CG1 VAL A 41 10.331 -1.754 5.896 1.00 0.31 C ATOM 483 CG2 VAL A 41 9.624 0.228 4.547 1.00 0.33 C ATOM 0 H VAL A 41 7.606 -1.276 4.658 1.00 0.24 H new ATOM 0 HA VAL A 41 8.276 -1.202 7.370 1.00 0.23 H new ATOM 0 HB VAL A 41 10.217 0.267 6.589 1.00 0.28 H new ATOM 0 HG11 VAL A 41 11.332 -1.646 5.478 1.00 0.31 H new ATOM 0 HG12 VAL A 41 10.402 -2.156 6.907 1.00 0.31 H new ATOM 0 HG13 VAL A 41 9.750 -2.435 5.275 1.00 0.31 H new ATOM 0 HG21 VAL A 41 10.642 0.299 4.163 1.00 0.33 H new ATOM 0 HG22 VAL A 41 9.027 -0.394 3.880 1.00 0.33 H new ATOM 0 HG23 VAL A 41 9.186 1.225 4.602 1.00 0.33 H new ATOM 493 N ASP A 42 7.350 1.714 6.067 1.00 0.27 N ATOM 494 CA ASP A 42 6.849 3.024 6.457 1.00 0.32 C ATOM 495 C ASP A 42 5.533 2.892 7.217 1.00 0.30 C ATOM 496 O ASP A 42 5.186 3.725 8.048 1.00 0.31 O ATOM 497 CB ASP A 42 6.723 3.971 5.271 1.00 0.42 C ATOM 498 CG ASP A 42 7.217 5.354 5.646 1.00 1.48 C ATOM 499 OD1 ASP A 42 8.448 5.547 5.720 1.00 2.23 O ATOM 500 OD2 ASP A 42 6.389 6.249 5.901 1.00 1.82 O ATOM 0 H ASP A 42 7.347 1.529 5.064 1.00 0.27 H new ATOM 0 HA ASP A 42 7.584 3.470 7.127 1.00 0.32 H new ATOM 0 HB2 ASP A 42 7.299 3.588 4.429 1.00 0.42 H new ATOM 0 HB3 ASP A 42 5.683 4.024 4.948 1.00 0.42 H new ATOM 505 N ASN A 43 4.793 1.837 6.935 1.00 0.31 N ATOM 506 CA ASN A 43 3.624 1.521 7.714 1.00 0.34 C ATOM 507 C ASN A 43 4.056 1.079 9.115 1.00 0.30 C ATOM 508 O ASN A 43 3.402 1.378 10.114 1.00 0.33 O ATOM 509 CB ASN A 43 2.829 0.430 6.995 1.00 0.42 C ATOM 510 CG ASN A 43 1.916 -0.319 7.920 1.00 0.73 C ATOM 511 OD1 ASN A 43 2.448 -1.369 8.502 1.00 0.98 O flip ATOM 512 ND2 ASN A 43 0.751 0.031 8.099 1.00 1.10 N flip ATOM 0 H ASN A 43 4.985 1.188 6.172 1.00 0.31 H new ATOM 0 HA ASN A 43 2.982 2.396 7.821 1.00 0.34 H new ATOM 0 HB2 ASN A 43 2.241 0.880 6.195 1.00 0.42 H new ATOM 0 HB3 ASN A 43 3.521 -0.270 6.527 1.00 0.42 H new ATOM 0 HD21 ASN A 43 0.387 0.856 7.622 1.00 1.10 H new ATOM 0 HD22 ASN A 43 0.148 -0.503 8.725 1.00 1.10 H new ATOM 519 N LEU A 44 5.192 0.390 9.172 1.00 0.28 N ATOM 520 CA LEU A 44 5.736 -0.116 10.422 1.00 0.31 C ATOM 521 C LEU A 44 6.189 1.021 11.325 1.00 0.34 C ATOM 522 O LEU A 44 5.824 1.038 12.486 1.00 0.48 O ATOM 523 CB LEU A 44 6.872 -1.128 10.128 1.00 0.34 C ATOM 524 CG LEU A 44 7.928 -1.410 11.209 1.00 0.81 C ATOM 525 CD1 LEU A 44 9.008 -0.351 11.204 1.00 0.61 C ATOM 526 CD2 LEU A 44 7.310 -1.555 12.596 1.00 1.93 C ATOM 0 H LEU A 44 5.758 0.169 8.353 1.00 0.28 H new ATOM 0 HA LEU A 44 4.952 -0.644 10.966 1.00 0.31 H new ATOM 0 HB2 LEU A 44 6.405 -2.079 9.871 1.00 0.34 H new ATOM 0 HB3 LEU A 44 7.398 -0.780 9.239 1.00 0.34 H new ATOM 0 HG LEU A 44 8.387 -2.367 10.963 1.00 0.81 H new ATOM 0 HD11 LEU A 44 9.741 -0.576 11.978 1.00 0.61 H new ATOM 0 HD12 LEU A 44 9.500 -0.338 10.231 1.00 0.61 H new ATOM 0 HD13 LEU A 44 8.562 0.624 11.399 1.00 0.61 H new ATOM 0 HD21 LEU A 44 8.095 -1.753 13.325 1.00 1.93 H new ATOM 0 HD22 LEU A 44 6.792 -0.633 12.862 1.00 1.93 H new ATOM 0 HD23 LEU A 44 6.600 -2.382 12.593 1.00 1.93 H new ATOM 538 N LEU A 45 6.957 1.982 10.825 1.00 0.33 N ATOM 539 CA LEU A 45 7.424 3.038 11.723 1.00 0.47 C ATOM 540 C LEU A 45 6.252 3.923 12.159 1.00 0.44 C ATOM 541 O LEU A 45 6.308 4.569 13.204 1.00 0.50 O ATOM 542 CB LEU A 45 8.645 3.821 11.153 1.00 0.66 C ATOM 543 CG LEU A 45 8.432 5.133 10.365 1.00 0.71 C ATOM 544 CD1 LEU A 45 7.445 4.964 9.236 1.00 0.77 C ATOM 545 CD2 LEU A 45 8.033 6.285 11.279 1.00 1.28 C ATOM 0 H LEU A 45 7.259 2.056 9.854 1.00 0.33 H new ATOM 0 HA LEU A 45 7.815 2.572 12.627 1.00 0.47 H new ATOM 0 HB2 LEU A 45 9.301 4.052 11.993 1.00 0.66 H new ATOM 0 HB3 LEU A 45 9.190 3.138 10.501 1.00 0.66 H new ATOM 0 HG LEU A 45 9.393 5.386 9.918 1.00 0.71 H new ATOM 0 HD11 LEU A 45 7.327 5.912 8.711 1.00 0.77 H new ATOM 0 HD12 LEU A 45 7.812 4.208 8.542 1.00 0.77 H new ATOM 0 HD13 LEU A 45 6.482 4.650 9.639 1.00 0.77 H new ATOM 0 HD21 LEU A 45 7.893 7.189 10.686 1.00 1.28 H new ATOM 0 HD22 LEU A 45 7.102 6.039 11.790 1.00 1.28 H new ATOM 0 HD23 LEU A 45 8.818 6.453 12.016 1.00 1.28 H new ATOM 557 N LYS A 46 5.191 3.946 11.356 1.00 0.40 N ATOM 558 CA LYS A 46 3.971 4.653 11.722 1.00 0.46 C ATOM 559 C LYS A 46 3.152 3.908 12.789 1.00 0.47 C ATOM 560 O LYS A 46 2.603 4.531 13.693 1.00 0.59 O ATOM 561 CB LYS A 46 3.110 4.890 10.482 1.00 0.48 C ATOM 562 CG LYS A 46 3.257 6.281 9.883 1.00 0.80 C ATOM 563 CD LYS A 46 4.631 6.492 9.277 1.00 1.37 C ATOM 564 CE LYS A 46 4.763 7.857 8.629 1.00 1.51 C ATOM 565 NZ LYS A 46 6.037 7.999 7.873 1.00 2.32 N ATOM 0 H LYS A 46 5.154 3.483 10.448 1.00 0.40 H new ATOM 0 HA LYS A 46 4.274 5.607 12.154 1.00 0.46 H new ATOM 0 HB2 LYS A 46 3.370 4.150 9.725 1.00 0.48 H new ATOM 0 HB3 LYS A 46 2.064 4.726 10.742 1.00 0.48 H new ATOM 0 HG2 LYS A 46 2.496 6.429 9.117 1.00 0.80 H new ATOM 0 HG3 LYS A 46 3.082 7.030 10.656 1.00 0.80 H new ATOM 0 HD2 LYS A 46 5.390 6.384 10.052 1.00 1.37 H new ATOM 0 HD3 LYS A 46 4.822 5.718 8.534 1.00 1.37 H new ATOM 0 HE2 LYS A 46 3.922 8.020 7.955 1.00 1.51 H new ATOM 0 HE3 LYS A 46 4.710 8.629 9.397 1.00 1.51 H new ATOM 0 HZ1 LYS A 46 5.985 8.837 7.260 1.00 2.32 H new ATOM 0 HZ2 LYS A 46 6.827 8.107 8.541 1.00 2.32 H new ATOM 0 HZ3 LYS A 46 6.191 7.152 7.289 1.00 2.32 H new ATOM 579 N ASN A 47 3.067 2.582 12.689 1.00 0.39 N ATOM 580 CA ASN A 47 2.225 1.801 13.607 1.00 0.45 C ATOM 581 C ASN A 47 3.036 1.110 14.698 1.00 0.42 C ATOM 582 O ASN A 47 2.475 0.555 15.639 1.00 0.51 O ATOM 583 CB ASN A 47 1.400 0.772 12.835 1.00 0.47 C ATOM 584 CG ASN A 47 0.221 1.403 12.124 1.00 0.62 C ATOM 585 OD1 ASN A 47 0.333 1.849 10.987 1.00 1.08 O ATOM 586 ND2 ASN A 47 -0.920 1.450 12.795 1.00 1.37 N ATOM 0 H ASN A 47 3.563 2.027 11.991 1.00 0.39 H new ATOM 0 HA ASN A 47 1.555 2.507 14.098 1.00 0.45 H new ATOM 0 HB2 ASN A 47 2.037 0.271 12.106 1.00 0.47 H new ATOM 0 HB3 ASN A 47 1.040 0.007 13.523 1.00 0.47 H new ATOM 0 HD21 ASN A 47 -1.746 1.868 12.367 1.00 1.37 H new ATOM 0 HD22 ASN A 47 -0.972 1.068 13.739 1.00 1.37 H new ATOM 593 N ASP A 48 4.348 1.127 14.536 1.00 0.37 N ATOM 594 CA ASP A 48 5.303 0.672 15.552 1.00 0.43 C ATOM 595 C ASP A 48 5.212 -0.830 15.855 1.00 0.42 C ATOM 596 O ASP A 48 5.545 -1.245 16.967 1.00 0.51 O ATOM 597 CB ASP A 48 5.140 1.473 16.852 1.00 0.58 C ATOM 598 CG ASP A 48 5.362 2.964 16.666 1.00 1.13 C ATOM 599 OD1 ASP A 48 6.491 3.359 16.296 1.00 1.12 O ATOM 600 OD2 ASP A 48 4.417 3.747 16.884 1.00 1.90 O ATOM 0 H ASP A 48 4.795 1.462 13.682 1.00 0.37 H new ATOM 0 HA ASP A 48 6.291 0.849 15.127 1.00 0.43 H new ATOM 0 HB2 ASP A 48 4.139 1.308 17.250 1.00 0.58 H new ATOM 0 HB3 ASP A 48 5.844 1.097 17.594 1.00 0.58 H new ATOM 605 N TYR A 49 4.782 -1.647 14.878 1.00 0.42 N ATOM 606 CA TYR A 49 4.860 -3.118 15.017 1.00 0.59 C ATOM 607 C TYR A 49 4.353 -3.874 13.788 1.00 0.69 C ATOM 608 O TYR A 49 4.611 -5.068 13.652 1.00 1.34 O ATOM 609 CB TYR A 49 4.124 -3.637 16.262 1.00 0.72 C ATOM 610 CG TYR A 49 2.619 -3.447 16.253 1.00 0.77 C ATOM 611 CD1 TYR A 49 2.045 -2.260 16.698 1.00 0.71 C ATOM 612 CD2 TYR A 49 1.775 -4.442 15.779 1.00 1.04 C ATOM 613 CE1 TYR A 49 0.678 -2.077 16.671 1.00 0.85 C ATOM 614 CE2 TYR A 49 0.405 -4.267 15.753 1.00 1.22 C ATOM 615 CZ TYR A 49 -0.143 -3.114 16.274 1.00 1.11 C ATOM 616 OH TYR A 49 -1.503 -2.897 16.167 1.00 1.33 O ATOM 0 H TYR A 49 4.383 -1.325 13.996 1.00 0.42 H new ATOM 0 HA TYR A 49 5.926 -3.318 15.125 1.00 0.59 H new ATOM 0 HB2 TYR A 49 4.339 -4.700 16.374 1.00 0.72 H new ATOM 0 HB3 TYR A 49 4.532 -3.136 17.140 1.00 0.72 H new ATOM 0 HD1 TYR A 49 2.680 -1.470 17.070 1.00 0.71 H new ATOM 0 HD2 TYR A 49 2.197 -5.370 15.424 1.00 1.04 H new ATOM 0 HE1 TYR A 49 0.252 -1.127 16.959 1.00 0.85 H new ATOM 0 HE2 TYR A 49 -0.232 -5.028 15.328 1.00 1.22 H new ATOM 0 HH TYR A 49 -1.757 -2.872 15.221 1.00 1.33 H new ATOM 626 N PHE A 50 3.631 -3.203 12.899 1.00 0.47 N ATOM 627 CA PHE A 50 3.172 -3.829 11.650 1.00 0.47 C ATOM 628 C PHE A 50 4.310 -3.903 10.633 1.00 0.47 C ATOM 629 O PHE A 50 4.159 -3.548 9.464 1.00 0.62 O ATOM 630 CB PHE A 50 1.988 -3.054 11.078 1.00 0.53 C ATOM 631 CG PHE A 50 0.685 -3.350 11.765 1.00 0.63 C ATOM 632 CD1 PHE A 50 0.206 -4.646 11.840 1.00 0.67 C ATOM 633 CD2 PHE A 50 -0.051 -2.331 12.351 1.00 0.78 C ATOM 634 CE1 PHE A 50 -0.983 -4.922 12.486 1.00 0.83 C ATOM 635 CE2 PHE A 50 -1.240 -2.602 12.999 1.00 0.92 C ATOM 636 CZ PHE A 50 -1.742 -3.898 12.999 1.00 0.93 C ATOM 0 H PHE A 50 3.348 -2.230 13.012 1.00 0.47 H new ATOM 0 HA PHE A 50 2.849 -4.847 11.870 1.00 0.47 H new ATOM 0 HB2 PHE A 50 2.194 -1.986 11.153 1.00 0.53 H new ATOM 0 HB3 PHE A 50 1.891 -3.287 10.018 1.00 0.53 H new ATOM 0 HD1 PHE A 50 0.768 -5.450 11.389 1.00 0.67 H new ATOM 0 HD2 PHE A 50 0.310 -1.314 12.300 1.00 0.78 H new ATOM 0 HE1 PHE A 50 -1.317 -5.944 12.588 1.00 0.83 H new ATOM 0 HE2 PHE A 50 -1.777 -1.812 13.503 1.00 0.92 H new ATOM 0 HZ PHE A 50 -2.724 -4.099 13.400 1.00 0.93 H new ATOM 646 N SER A 51 5.446 -4.365 11.114 1.00 0.45 N ATOM 647 CA SER A 51 6.644 -4.537 10.330 1.00 0.55 C ATOM 648 C SER A 51 6.616 -5.821 9.525 1.00 0.59 C ATOM 649 O SER A 51 5.640 -6.570 9.552 1.00 0.54 O ATOM 650 CB SER A 51 7.843 -4.555 11.262 1.00 0.62 C ATOM 651 OG SER A 51 7.535 -5.281 12.437 1.00 0.76 O ATOM 0 H SER A 51 5.561 -4.638 12.090 1.00 0.45 H new ATOM 0 HA SER A 51 6.711 -3.707 9.627 1.00 0.55 H new ATOM 0 HB2 SER A 51 8.698 -5.008 10.759 1.00 0.62 H new ATOM 0 HB3 SER A 51 8.128 -3.535 11.520 1.00 0.62 H new ATOM 0 HG SER A 51 8.349 -5.402 12.969 1.00 0.76 H new ATOM 657 N ALA A 52 7.688 -6.044 8.799 1.00 0.72 N ATOM 658 CA ALA A 52 7.890 -7.280 8.062 1.00 0.76 C ATOM 659 C ALA A 52 7.748 -8.507 8.967 1.00 0.71 C ATOM 660 O ALA A 52 7.345 -9.563 8.502 1.00 0.68 O ATOM 661 CB ALA A 52 9.253 -7.277 7.395 1.00 0.94 C ATOM 0 H ALA A 52 8.450 -5.373 8.700 1.00 0.72 H new ATOM 0 HA ALA A 52 7.116 -7.340 7.297 1.00 0.76 H new ATOM 0 HB1 ALA A 52 9.392 -8.209 6.846 1.00 0.94 H new ATOM 0 HB2 ALA A 52 9.318 -6.436 6.705 1.00 0.94 H new ATOM 0 HB3 ALA A 52 10.029 -7.184 8.154 1.00 0.94 H new ATOM 667 N GLU A 53 8.098 -8.378 10.248 1.00 0.76 N ATOM 668 CA GLU A 53 7.949 -9.493 11.186 1.00 0.79 C ATOM 669 C GLU A 53 6.474 -9.861 11.353 1.00 0.67 C ATOM 670 O GLU A 53 6.097 -11.028 11.227 1.00 0.67 O ATOM 671 CB GLU A 53 8.542 -9.155 12.558 1.00 0.92 C ATOM 672 CG GLU A 53 9.988 -8.684 12.524 1.00 1.56 C ATOM 673 CD GLU A 53 10.104 -7.200 12.255 1.00 2.33 C ATOM 674 OE1 GLU A 53 9.810 -6.395 13.161 1.00 2.87 O ATOM 675 OE2 GLU A 53 10.501 -6.830 11.132 1.00 3.00 O ATOM 0 H GLU A 53 8.481 -7.525 10.656 1.00 0.76 H new ATOM 0 HA GLU A 53 8.493 -10.341 10.770 1.00 0.79 H new ATOM 0 HB2 GLU A 53 7.932 -8.380 13.022 1.00 0.92 H new ATOM 0 HB3 GLU A 53 8.476 -10.037 13.195 1.00 0.92 H new ATOM 0 HG2 GLU A 53 10.466 -8.917 13.476 1.00 1.56 H new ATOM 0 HG3 GLU A 53 10.528 -9.234 11.753 1.00 1.56 H new ATOM 682 N ASP A 54 5.640 -8.854 11.594 1.00 0.59 N ATOM 683 CA ASP A 54 4.194 -9.054 11.695 1.00 0.53 C ATOM 684 C ASP A 54 3.640 -9.484 10.347 1.00 0.41 C ATOM 685 O ASP A 54 2.764 -10.353 10.250 1.00 0.38 O ATOM 686 CB ASP A 54 3.515 -7.760 12.159 1.00 0.54 C ATOM 687 CG ASP A 54 2.041 -7.701 11.804 1.00 0.59 C ATOM 688 OD1 ASP A 54 1.231 -8.321 12.530 1.00 0.69 O ATOM 689 OD2 ASP A 54 1.684 -7.044 10.802 1.00 0.65 O ATOM 0 H ASP A 54 5.940 -7.888 11.724 1.00 0.59 H new ATOM 0 HA ASP A 54 3.991 -9.836 12.427 1.00 0.53 H new ATOM 0 HB2 ASP A 54 3.627 -7.665 13.239 1.00 0.54 H new ATOM 0 HB3 ASP A 54 4.025 -6.908 11.710 1.00 0.54 H new ATOM 694 N ALA A 55 4.181 -8.876 9.306 1.00 0.39 N ATOM 695 CA ALA A 55 3.830 -9.217 7.949 1.00 0.35 C ATOM 696 C ALA A 55 4.150 -10.675 7.651 1.00 0.33 C ATOM 697 O ALA A 55 3.354 -11.361 7.026 1.00 0.36 O ATOM 698 CB ALA A 55 4.563 -8.312 6.969 1.00 0.43 C ATOM 0 H ALA A 55 4.875 -8.133 9.383 1.00 0.39 H new ATOM 0 HA ALA A 55 2.756 -9.071 7.833 1.00 0.35 H new ATOM 0 HB1 ALA A 55 4.288 -8.581 5.949 1.00 0.43 H new ATOM 0 HB2 ALA A 55 4.288 -7.274 7.157 1.00 0.43 H new ATOM 0 HB3 ALA A 55 5.639 -8.431 7.098 1.00 0.43 H new ATOM 704 N GLU A 56 5.299 -11.142 8.130 1.00 0.36 N ATOM 705 CA GLU A 56 5.749 -12.507 7.883 1.00 0.41 C ATOM 706 C GLU A 56 4.762 -13.521 8.442 1.00 0.35 C ATOM 707 O GLU A 56 4.491 -14.544 7.808 1.00 0.38 O ATOM 708 CB GLU A 56 7.137 -12.742 8.487 1.00 0.56 C ATOM 709 CG GLU A 56 7.682 -14.143 8.238 1.00 0.96 C ATOM 710 CD GLU A 56 9.056 -14.357 8.836 1.00 1.60 C ATOM 711 OE1 GLU A 56 9.143 -14.721 10.029 1.00 2.44 O ATOM 712 OE2 GLU A 56 10.056 -14.165 8.119 1.00 1.81 O ATOM 0 H GLU A 56 5.941 -10.588 8.697 1.00 0.36 H new ATOM 0 HA GLU A 56 5.808 -12.642 6.803 1.00 0.41 H new ATOM 0 HB2 GLU A 56 7.832 -12.012 8.073 1.00 0.56 H new ATOM 0 HB3 GLU A 56 7.091 -12.565 9.562 1.00 0.56 H new ATOM 0 HG2 GLU A 56 6.991 -14.875 8.656 1.00 0.96 H new ATOM 0 HG3 GLU A 56 7.727 -14.324 7.164 1.00 0.96 H new ATOM 719 N ILE A 57 4.216 -13.227 9.614 1.00 0.35 N ATOM 720 CA ILE A 57 3.276 -14.132 10.261 1.00 0.40 C ATOM 721 C ILE A 57 2.041 -14.341 9.383 1.00 0.38 C ATOM 722 O ILE A 57 1.646 -15.473 9.102 1.00 0.45 O ATOM 723 CB ILE A 57 2.827 -13.587 11.638 1.00 0.48 C ATOM 724 CG1 ILE A 57 4.037 -13.188 12.496 1.00 0.60 C ATOM 725 CG2 ILE A 57 1.971 -14.614 12.367 1.00 0.58 C ATOM 726 CD1 ILE A 57 5.084 -14.272 12.632 1.00 0.67 C ATOM 0 H ILE A 57 4.407 -12.371 10.135 1.00 0.35 H new ATOM 0 HA ILE A 57 3.789 -15.082 10.407 1.00 0.40 H new ATOM 0 HB ILE A 57 2.226 -12.694 11.466 1.00 0.48 H new ATOM 0 HG12 ILE A 57 4.501 -12.303 12.061 1.00 0.60 H new ATOM 0 HG13 ILE A 57 3.687 -12.909 13.490 1.00 0.60 H new ATOM 0 HG21 ILE A 57 1.665 -14.213 13.333 1.00 0.58 H new ATOM 0 HG22 ILE A 57 1.087 -14.839 11.771 1.00 0.58 H new ATOM 0 HG23 ILE A 57 2.548 -15.526 12.519 1.00 0.58 H new ATOM 0 HD11 ILE A 57 5.904 -13.910 13.252 1.00 0.67 H new ATOM 0 HD12 ILE A 57 4.639 -15.152 13.096 1.00 0.67 H new ATOM 0 HD13 ILE A 57 5.465 -14.536 11.645 1.00 0.67 H new ATOM 738 N VAL A 58 1.445 -13.241 8.947 1.00 0.35 N ATOM 739 CA VAL A 58 0.246 -13.297 8.115 1.00 0.42 C ATOM 740 C VAL A 58 0.552 -13.748 6.685 1.00 0.45 C ATOM 741 O VAL A 58 -0.165 -14.576 6.125 1.00 0.55 O ATOM 742 CB VAL A 58 -0.472 -11.936 8.084 1.00 0.43 C ATOM 743 CG1 VAL A 58 -1.724 -11.999 7.223 1.00 0.56 C ATOM 744 CG2 VAL A 58 -0.814 -11.486 9.496 1.00 0.43 C ATOM 0 H VAL A 58 1.770 -12.297 9.154 1.00 0.35 H new ATOM 0 HA VAL A 58 -0.410 -14.039 8.570 1.00 0.42 H new ATOM 0 HB VAL A 58 0.203 -11.205 7.640 1.00 0.43 H new ATOM 0 HG11 VAL A 58 -2.212 -11.024 7.218 1.00 0.56 H new ATOM 0 HG12 VAL A 58 -1.451 -12.273 6.204 1.00 0.56 H new ATOM 0 HG13 VAL A 58 -2.407 -12.745 7.629 1.00 0.56 H new ATOM 0 HG21 VAL A 58 -1.321 -10.522 9.458 1.00 0.43 H new ATOM 0 HG22 VAL A 58 -1.468 -12.222 9.964 1.00 0.43 H new ATOM 0 HG23 VAL A 58 0.102 -11.391 10.079 1.00 0.43 H new ATOM 754 N CYS A 59 1.631 -13.213 6.114 1.00 0.41 N ATOM 755 CA CYS A 59 1.971 -13.415 4.698 1.00 0.48 C ATOM 756 C CYS A 59 2.092 -14.893 4.339 1.00 0.55 C ATOM 757 O CYS A 59 2.010 -15.255 3.168 1.00 0.63 O ATOM 758 CB CYS A 59 3.264 -12.681 4.333 1.00 0.52 C ATOM 759 SG CYS A 59 4.761 -13.408 5.034 1.00 0.92 S ATOM 0 H CYS A 59 2.297 -12.626 6.617 1.00 0.41 H new ATOM 0 HA CYS A 59 1.149 -12.997 4.117 1.00 0.48 H new ATOM 0 HB2 CYS A 59 3.360 -12.659 3.247 1.00 0.52 H new ATOM 0 HB3 CYS A 59 3.187 -11.647 4.668 1.00 0.52 H new ATOM 0 HG CYS A 59 4.464 -14.041 6.130 1.00 0.92 H new ATOM 765 N ALA A 60 2.323 -15.733 5.346 1.00 0.54 N ATOM 766 CA ALA A 60 2.425 -17.179 5.151 1.00 0.64 C ATOM 767 C ALA A 60 1.304 -17.730 4.259 1.00 0.70 C ATOM 768 O ALA A 60 1.471 -18.769 3.621 1.00 0.78 O ATOM 769 CB ALA A 60 2.421 -17.883 6.499 1.00 0.67 C ATOM 0 H ALA A 60 2.444 -15.434 6.314 1.00 0.54 H new ATOM 0 HA ALA A 60 3.366 -17.374 4.637 1.00 0.64 H new ATOM 0 HB1 ALA A 60 2.497 -18.960 6.347 1.00 0.67 H new ATOM 0 HB2 ALA A 60 3.269 -17.539 7.092 1.00 0.67 H new ATOM 0 HB3 ALA A 60 1.494 -17.655 7.026 1.00 0.67 H new ATOM 775 N CYS A 61 0.165 -17.040 4.205 1.00 0.69 N ATOM 776 CA CYS A 61 -0.914 -17.450 3.317 1.00 0.76 C ATOM 777 C CYS A 61 -1.098 -16.445 2.153 1.00 0.71 C ATOM 778 O CYS A 61 -0.811 -16.789 1.006 1.00 0.79 O ATOM 779 CB CYS A 61 -2.216 -17.669 4.103 1.00 0.81 C ATOM 780 SG CYS A 61 -3.594 -18.280 3.103 1.00 1.41 S ATOM 0 H CYS A 61 -0.030 -16.206 4.759 1.00 0.69 H new ATOM 0 HA CYS A 61 -0.641 -18.405 2.869 1.00 0.76 H new ATOM 0 HB2 CYS A 61 -2.025 -18.377 4.909 1.00 0.81 H new ATOM 0 HB3 CYS A 61 -2.509 -16.728 4.568 1.00 0.81 H new ATOM 0 HG CYS A 61 -4.642 -18.434 3.856 1.00 1.41 H new ATOM 786 N PRO A 62 -1.546 -15.187 2.409 1.00 0.62 N ATOM 787 CA PRO A 62 -1.814 -14.197 1.348 1.00 0.60 C ATOM 788 C PRO A 62 -0.564 -13.433 0.884 1.00 0.54 C ATOM 789 O PRO A 62 -0.666 -12.350 0.290 1.00 0.49 O ATOM 790 CB PRO A 62 -2.802 -13.223 2.015 1.00 0.58 C ATOM 791 CG PRO A 62 -3.053 -13.761 3.388 1.00 0.60 C ATOM 792 CD PRO A 62 -1.868 -14.615 3.716 1.00 0.57 C ATOM 0 HA PRO A 62 -2.188 -14.683 0.447 1.00 0.60 H new ATOM 0 HB2 PRO A 62 -2.386 -12.217 2.061 1.00 0.58 H new ATOM 0 HB3 PRO A 62 -3.730 -13.159 1.446 1.00 0.58 H new ATOM 0 HG2 PRO A 62 -3.164 -12.952 4.110 1.00 0.60 H new ATOM 0 HG3 PRO A 62 -3.974 -14.343 3.417 1.00 0.60 H new ATOM 0 HD2 PRO A 62 -1.042 -14.031 4.122 1.00 0.57 H new ATOM 0 HD3 PRO A 62 -2.108 -15.383 4.451 1.00 0.57 H new ATOM 800 N THR A 63 0.603 -14.008 1.157 1.00 0.58 N ATOM 801 CA THR A 63 1.901 -13.405 0.834 1.00 0.57 C ATOM 802 C THR A 63 2.031 -11.976 1.380 1.00 0.46 C ATOM 803 O THR A 63 1.160 -11.490 2.109 1.00 0.42 O ATOM 804 CB THR A 63 2.213 -13.435 -0.685 1.00 0.66 C ATOM 805 OG1 THR A 63 1.202 -12.761 -1.441 1.00 0.93 O ATOM 806 CG2 THR A 63 2.341 -14.869 -1.176 1.00 0.94 C ATOM 0 H THR A 63 0.680 -14.917 1.614 1.00 0.58 H new ATOM 0 HA THR A 63 2.644 -14.026 1.335 1.00 0.57 H new ATOM 0 HB THR A 63 3.160 -12.915 -0.832 1.00 0.66 H new ATOM 0 HG1 THR A 63 0.610 -12.272 -0.832 1.00 0.93 H new ATOM 0 HG21 THR A 63 2.560 -14.870 -2.244 1.00 0.94 H new ATOM 0 HG22 THR A 63 3.149 -15.367 -0.640 1.00 0.94 H new ATOM 0 HG23 THR A 63 1.406 -15.400 -0.997 1.00 0.94 H new ATOM 814 N GLN A 64 3.136 -11.319 1.067 1.00 0.46 N ATOM 815 CA GLN A 64 3.375 -9.969 1.563 1.00 0.44 C ATOM 816 C GLN A 64 2.412 -8.936 0.966 1.00 0.40 C ATOM 817 O GLN A 64 1.855 -8.135 1.710 1.00 0.38 O ATOM 818 CB GLN A 64 4.828 -9.541 1.330 1.00 0.55 C ATOM 819 CG GLN A 64 5.838 -10.387 2.092 1.00 0.81 C ATOM 820 CD GLN A 64 7.240 -9.810 2.046 1.00 1.45 C ATOM 821 OE1 GLN A 64 7.635 -9.034 2.915 1.00 2.09 O ATOM 822 NE2 GLN A 64 8.003 -10.189 1.034 1.00 2.22 N ATOM 0 H GLN A 64 3.878 -11.693 0.476 1.00 0.46 H new ATOM 0 HA GLN A 64 3.185 -10.002 2.636 1.00 0.44 H new ATOM 0 HB2 GLN A 64 5.049 -9.597 0.264 1.00 0.55 H new ATOM 0 HB3 GLN A 64 4.943 -8.498 1.625 1.00 0.55 H new ATOM 0 HG2 GLN A 64 5.520 -10.476 3.131 1.00 0.81 H new ATOM 0 HG3 GLN A 64 5.850 -11.394 1.675 1.00 0.81 H new ATOM 0 HE21 GLN A 64 7.638 -10.834 0.334 1.00 2.22 H new ATOM 0 HE22 GLN A 64 8.957 -9.836 0.954 1.00 2.22 H new ATOM 831 N PRO A 65 2.184 -8.925 -0.365 1.00 0.41 N ATOM 832 CA PRO A 65 1.338 -7.907 -0.994 1.00 0.40 C ATOM 833 C PRO A 65 -0.082 -7.822 -0.408 1.00 0.33 C ATOM 834 O PRO A 65 -0.630 -6.726 -0.289 1.00 0.32 O ATOM 835 CB PRO A 65 1.308 -8.309 -2.471 1.00 0.48 C ATOM 836 CG PRO A 65 1.782 -9.717 -2.510 1.00 0.55 C ATOM 837 CD PRO A 65 2.737 -9.855 -1.365 1.00 0.48 C ATOM 0 HA PRO A 65 1.742 -6.909 -0.823 1.00 0.40 H new ATOM 0 HB2 PRO A 65 0.302 -8.222 -2.881 1.00 0.48 H new ATOM 0 HB3 PRO A 65 1.952 -7.662 -3.067 1.00 0.48 H new ATOM 0 HG2 PRO A 65 0.949 -10.413 -2.411 1.00 0.55 H new ATOM 0 HG3 PRO A 65 2.272 -9.939 -3.458 1.00 0.55 H new ATOM 0 HD2 PRO A 65 2.773 -10.878 -0.990 1.00 0.48 H new ATOM 0 HD3 PRO A 65 3.753 -9.584 -1.651 1.00 0.48 H new ATOM 845 N ASP A 66 -0.706 -8.950 -0.062 1.00 0.31 N ATOM 846 CA ASP A 66 -1.994 -8.883 0.624 1.00 0.29 C ATOM 847 C ASP A 66 -1.814 -8.405 2.056 1.00 0.26 C ATOM 848 O ASP A 66 -2.603 -7.606 2.566 1.00 0.26 O ATOM 849 CB ASP A 66 -2.718 -10.219 0.591 1.00 0.34 C ATOM 850 CG ASP A 66 -3.404 -10.462 -0.734 1.00 0.68 C ATOM 851 OD1 ASP A 66 -2.700 -10.729 -1.733 1.00 1.02 O ATOM 852 OD2 ASP A 66 -4.647 -10.401 -0.780 1.00 1.11 O ATOM 0 H ASP A 66 -0.354 -9.891 -0.239 1.00 0.31 H new ATOM 0 HA ASP A 66 -2.613 -8.161 0.091 1.00 0.29 H new ATOM 0 HB2 ASP A 66 -2.006 -11.022 0.782 1.00 0.34 H new ATOM 0 HB3 ASP A 66 -3.456 -10.250 1.392 1.00 0.34 H new ATOM 857 N LYS A 67 -0.756 -8.892 2.697 1.00 0.28 N ATOM 858 CA LYS A 67 -0.443 -8.515 4.069 1.00 0.29 C ATOM 859 C LYS A 67 -0.265 -7.002 4.196 1.00 0.29 C ATOM 860 O LYS A 67 -0.675 -6.401 5.194 1.00 0.33 O ATOM 861 CB LYS A 67 0.817 -9.243 4.553 1.00 0.35 C ATOM 862 CG LYS A 67 1.322 -8.768 5.911 1.00 0.64 C ATOM 863 CD LYS A 67 0.257 -8.884 6.991 1.00 0.79 C ATOM 864 CE LYS A 67 0.736 -8.340 8.335 1.00 1.13 C ATOM 865 NZ LYS A 67 1.283 -6.964 8.229 1.00 1.28 N ATOM 0 H LYS A 67 -0.098 -9.553 2.284 1.00 0.28 H new ATOM 0 HA LYS A 67 -1.282 -8.812 4.699 1.00 0.29 H new ATOM 0 HB2 LYS A 67 0.609 -10.312 4.607 1.00 0.35 H new ATOM 0 HB3 LYS A 67 1.608 -9.109 3.815 1.00 0.35 H new ATOM 0 HG2 LYS A 67 2.194 -9.355 6.198 1.00 0.64 H new ATOM 0 HG3 LYS A 67 1.647 -7.731 5.834 1.00 0.64 H new ATOM 0 HD2 LYS A 67 -0.635 -8.341 6.679 1.00 0.79 H new ATOM 0 HD3 LYS A 67 -0.029 -9.929 7.105 1.00 0.79 H new ATOM 0 HE2 LYS A 67 -0.094 -8.344 9.042 1.00 1.13 H new ATOM 0 HE3 LYS A 67 1.502 -9.002 8.739 1.00 1.13 H new ATOM 0 HZ1 LYS A 67 1.246 -6.503 9.161 1.00 1.28 H new ATOM 0 HZ2 LYS A 67 2.269 -7.007 7.902 1.00 1.28 H new ATOM 0 HZ3 LYS A 67 0.717 -6.417 7.550 1.00 1.28 H new ATOM 879 N VAL A 68 0.359 -6.389 3.199 1.00 0.27 N ATOM 880 CA VAL A 68 0.592 -4.957 3.239 1.00 0.29 C ATOM 881 C VAL A 68 -0.708 -4.171 3.081 1.00 0.26 C ATOM 882 O VAL A 68 -0.937 -3.222 3.825 1.00 0.28 O ATOM 883 CB VAL A 68 1.648 -4.486 2.214 1.00 0.37 C ATOM 884 CG1 VAL A 68 2.952 -5.227 2.436 1.00 0.47 C ATOM 885 CG2 VAL A 68 1.176 -4.655 0.781 1.00 0.47 C ATOM 0 H VAL A 68 0.708 -6.857 2.363 1.00 0.27 H new ATOM 0 HA VAL A 68 1.001 -4.749 4.228 1.00 0.29 H new ATOM 0 HB VAL A 68 1.806 -3.419 2.372 1.00 0.37 H new ATOM 0 HG11 VAL A 68 3.691 -4.889 1.709 1.00 0.47 H new ATOM 0 HG12 VAL A 68 3.317 -5.028 3.444 1.00 0.47 H new ATOM 0 HG13 VAL A 68 2.787 -6.298 2.315 1.00 0.47 H new ATOM 0 HG21 VAL A 68 1.953 -4.310 0.099 1.00 0.47 H new ATOM 0 HG22 VAL A 68 0.966 -5.707 0.589 1.00 0.47 H new ATOM 0 HG23 VAL A 68 0.270 -4.069 0.625 1.00 0.47 H new ATOM 895 N ARG A 69 -1.579 -4.567 2.148 1.00 0.24 N ATOM 896 CA ARG A 69 -2.860 -3.896 2.014 1.00 0.31 C ATOM 897 C ARG A 69 -3.634 -4.012 3.317 1.00 0.25 C ATOM 898 O ARG A 69 -4.358 -3.102 3.685 1.00 0.25 O ATOM 899 CB ARG A 69 -3.660 -4.459 0.831 1.00 0.47 C ATOM 900 CG ARG A 69 -4.660 -5.566 1.161 1.00 0.63 C ATOM 901 CD ARG A 69 -6.034 -5.010 1.528 1.00 0.92 C ATOM 902 NE ARG A 69 -7.084 -6.017 1.363 1.00 1.48 N ATOM 903 CZ ARG A 69 -8.384 -5.805 1.596 1.00 1.89 C ATOM 904 NH1 ARG A 69 -8.813 -4.636 2.063 1.00 2.21 N ATOM 905 NH2 ARG A 69 -9.262 -6.777 1.370 1.00 2.61 N ATOM 0 H ARG A 69 -1.420 -5.331 1.492 1.00 0.24 H new ATOM 0 HA ARG A 69 -2.687 -2.840 1.805 1.00 0.31 H new ATOM 0 HB2 ARG A 69 -4.201 -3.638 0.361 1.00 0.47 H new ATOM 0 HB3 ARG A 69 -2.956 -4.842 0.092 1.00 0.47 H new ATOM 0 HG2 ARG A 69 -4.757 -6.233 0.305 1.00 0.63 H new ATOM 0 HG3 ARG A 69 -4.278 -6.163 1.989 1.00 0.63 H new ATOM 0 HD2 ARG A 69 -6.022 -4.662 2.561 1.00 0.92 H new ATOM 0 HD3 ARG A 69 -6.256 -4.146 0.902 1.00 0.92 H new ATOM 0 HE ARG A 69 -6.804 -6.946 1.048 1.00 1.48 H new ATOM 0 HH11 ARG A 69 -8.147 -3.886 2.249 1.00 2.21 H new ATOM 0 HH12 ARG A 69 -9.808 -4.490 2.236 1.00 2.21 H new ATOM 0 HH21 ARG A 69 -8.944 -7.681 1.020 1.00 2.61 H new ATOM 0 HH22 ARG A 69 -10.254 -6.619 1.546 1.00 2.61 H new ATOM 919 N LYS A 70 -3.458 -5.133 4.016 1.00 0.24 N ATOM 920 CA LYS A 70 -4.091 -5.330 5.313 1.00 0.26 C ATOM 921 C LYS A 70 -3.620 -4.279 6.317 1.00 0.23 C ATOM 922 O LYS A 70 -4.431 -3.685 7.023 1.00 0.27 O ATOM 923 CB LYS A 70 -3.821 -6.747 5.835 1.00 0.31 C ATOM 924 CG LYS A 70 -3.943 -6.887 7.346 1.00 0.31 C ATOM 925 CD LYS A 70 -2.568 -6.981 7.978 1.00 0.31 C ATOM 926 CE LYS A 70 -2.610 -6.980 9.504 1.00 0.38 C ATOM 927 NZ LYS A 70 -3.483 -8.050 10.057 1.00 0.75 N ATOM 0 H LYS A 70 -2.883 -5.915 3.704 1.00 0.24 H new ATOM 0 HA LYS A 70 -5.167 -5.212 5.188 1.00 0.26 H new ATOM 0 HB2 LYS A 70 -4.518 -7.437 5.360 1.00 0.31 H new ATOM 0 HB3 LYS A 70 -2.818 -7.049 5.533 1.00 0.31 H new ATOM 0 HG2 LYS A 70 -4.481 -6.032 7.755 1.00 0.31 H new ATOM 0 HG3 LYS A 70 -4.525 -7.776 7.590 1.00 0.31 H new ATOM 0 HD2 LYS A 70 -2.078 -7.892 7.634 1.00 0.31 H new ATOM 0 HD3 LYS A 70 -1.959 -6.144 7.636 1.00 0.31 H new ATOM 0 HE2 LYS A 70 -1.599 -7.106 9.891 1.00 0.38 H new ATOM 0 HE3 LYS A 70 -2.966 -6.011 9.853 1.00 0.38 H new ATOM 0 HZ1 LYS A 70 -3.396 -8.068 11.093 1.00 0.75 H new ATOM 0 HZ2 LYS A 70 -4.472 -7.861 9.796 1.00 0.75 H new ATOM 0 HZ3 LYS A 70 -3.193 -8.970 9.669 1.00 0.75 H new ATOM 941 N ILE A 71 -2.315 -4.033 6.370 1.00 0.21 N ATOM 942 CA ILE A 71 -1.790 -3.069 7.324 1.00 0.21 C ATOM 943 C ILE A 71 -2.171 -1.637 6.965 1.00 0.18 C ATOM 944 O ILE A 71 -2.559 -0.863 7.843 1.00 0.20 O ATOM 945 CB ILE A 71 -0.272 -3.217 7.583 1.00 0.28 C ATOM 946 CG1 ILE A 71 0.535 -3.561 6.322 1.00 0.43 C ATOM 947 CG2 ILE A 71 -0.066 -4.281 8.633 1.00 0.50 C ATOM 948 CD1 ILE A 71 1.999 -3.873 6.611 1.00 0.57 C ATOM 0 H ILE A 71 -1.616 -4.479 5.776 1.00 0.21 H new ATOM 0 HA ILE A 71 -2.275 -3.305 8.271 1.00 0.21 H new ATOM 0 HB ILE A 71 0.099 -2.250 7.922 1.00 0.28 H new ATOM 0 HG12 ILE A 71 0.078 -4.419 5.829 1.00 0.43 H new ATOM 0 HG13 ILE A 71 0.479 -2.726 5.624 1.00 0.43 H new ATOM 0 HG21 ILE A 71 1.000 -4.398 8.828 1.00 0.50 H new ATOM 0 HG22 ILE A 71 -0.573 -3.988 9.552 1.00 0.50 H new ATOM 0 HG23 ILE A 71 -0.476 -5.227 8.278 1.00 0.50 H new ATOM 0 HD11 ILE A 71 2.512 -4.108 5.678 1.00 0.57 H new ATOM 0 HD12 ILE A 71 2.470 -3.008 7.077 1.00 0.57 H new ATOM 0 HD13 ILE A 71 2.063 -4.727 7.285 1.00 0.57 H new ATOM 960 N LEU A 72 -2.094 -1.283 5.687 1.00 0.19 N ATOM 961 CA LEU A 72 -2.532 0.045 5.259 1.00 0.24 C ATOM 962 C LEU A 72 -4.049 0.175 5.434 1.00 0.25 C ATOM 963 O LEU A 72 -4.568 1.262 5.667 1.00 0.29 O ATOM 964 CB LEU A 72 -2.174 0.365 3.800 1.00 0.39 C ATOM 965 CG LEU A 72 -0.693 0.338 3.378 1.00 0.31 C ATOM 966 CD1 LEU A 72 0.248 0.135 4.556 1.00 0.53 C ATOM 967 CD2 LEU A 72 -0.480 -0.731 2.321 1.00 0.88 C ATOM 0 H LEU A 72 -1.740 -1.882 4.941 1.00 0.19 H new ATOM 0 HA LEU A 72 -2.001 0.759 5.889 1.00 0.24 H new ATOM 0 HB2 LEU A 72 -2.711 -0.340 3.166 1.00 0.39 H new ATOM 0 HB3 LEU A 72 -2.564 1.358 3.574 1.00 0.39 H new ATOM 0 HG LEU A 72 -0.452 1.315 2.959 1.00 0.31 H new ATOM 0 HD11 LEU A 72 1.278 0.124 4.201 1.00 0.53 H new ATOM 0 HD12 LEU A 72 0.119 0.949 5.269 1.00 0.53 H new ATOM 0 HD13 LEU A 72 0.022 -0.814 5.043 1.00 0.53 H new ATOM 0 HD21 LEU A 72 0.569 -0.747 2.025 1.00 0.88 H new ATOM 0 HD22 LEU A 72 -0.757 -1.704 2.727 1.00 0.88 H new ATOM 0 HD23 LEU A 72 -1.099 -0.511 1.451 1.00 0.88 H new ATOM 979 N ASP A 73 -4.757 -0.937 5.290 1.00 0.26 N ATOM 980 CA ASP A 73 -6.210 -0.945 5.442 1.00 0.31 C ATOM 981 C ASP A 73 -6.594 -0.603 6.875 1.00 0.30 C ATOM 982 O ASP A 73 -7.561 0.119 7.119 1.00 0.34 O ATOM 983 CB ASP A 73 -6.782 -2.314 5.071 1.00 0.37 C ATOM 984 CG ASP A 73 -8.056 -2.212 4.257 1.00 0.58 C ATOM 985 OD1 ASP A 73 -9.139 -2.073 4.862 1.00 1.16 O ATOM 986 OD2 ASP A 73 -7.980 -2.273 3.008 1.00 0.67 O ATOM 0 H ASP A 73 -4.351 -1.846 5.068 1.00 0.26 H new ATOM 0 HA ASP A 73 -6.626 -0.194 4.770 1.00 0.31 H new ATOM 0 HB2 ASP A 73 -6.037 -2.873 4.505 1.00 0.37 H new ATOM 0 HB3 ASP A 73 -6.981 -2.879 5.981 1.00 0.37 H new ATOM 991 N LEU A 74 -5.822 -1.128 7.819 1.00 0.28 N ATOM 992 CA LEU A 74 -6.033 -0.845 9.234 1.00 0.28 C ATOM 993 C LEU A 74 -5.617 0.580 9.572 1.00 0.27 C ATOM 994 O LEU A 74 -6.305 1.274 10.322 1.00 0.31 O ATOM 995 CB LEU A 74 -5.252 -1.834 10.108 1.00 0.30 C ATOM 996 CG LEU A 74 -6.027 -3.078 10.554 1.00 0.37 C ATOM 997 CD1 LEU A 74 -6.519 -3.878 9.360 1.00 0.72 C ATOM 998 CD2 LEU A 74 -5.156 -3.945 11.449 1.00 0.85 C ATOM 0 H LEU A 74 -5.040 -1.755 7.629 1.00 0.28 H new ATOM 0 HA LEU A 74 -7.098 -0.956 9.439 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -4.367 -2.156 9.559 1.00 0.30 H new ATOM 0 HB3 LEU A 74 -4.902 -1.308 10.996 1.00 0.30 H new ATOM 0 HG LEU A 74 -6.899 -2.749 11.118 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -7.065 -4.754 9.709 1.00 0.72 H new ATOM 0 HD12 LEU A 74 -7.178 -3.258 8.753 1.00 0.72 H new ATOM 0 HD13 LEU A 74 -5.667 -4.197 8.760 1.00 0.72 H new ATOM 0 HD21 LEU A 74 -5.717 -4.826 11.760 1.00 0.85 H new ATOM 0 HD22 LEU A 74 -4.267 -4.256 10.901 1.00 0.85 H new ATOM 0 HD23 LEU A 74 -4.858 -3.375 12.329 1.00 0.85 H new ATOM 1010 N VAL A 75 -4.486 1.010 9.020 1.00 0.24 N ATOM 1011 CA VAL A 75 -3.984 2.355 9.258 1.00 0.24 C ATOM 1012 C VAL A 75 -4.943 3.396 8.678 1.00 0.27 C ATOM 1013 O VAL A 75 -5.175 4.441 9.288 1.00 0.30 O ATOM 1014 CB VAL A 75 -2.569 2.549 8.665 1.00 0.23 C ATOM 1015 CG1 VAL A 75 -2.618 2.769 7.171 1.00 0.28 C ATOM 1016 CG2 VAL A 75 -1.860 3.693 9.351 1.00 0.23 C ATOM 0 H VAL A 75 -3.901 0.444 8.405 1.00 0.24 H new ATOM 0 HA VAL A 75 -3.918 2.493 10.337 1.00 0.24 H new ATOM 0 HB VAL A 75 -2.006 1.633 8.843 1.00 0.23 H new ATOM 0 HG11 VAL A 75 -1.606 2.901 6.789 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -3.077 1.905 6.691 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -3.207 3.660 6.954 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -0.866 3.815 8.921 1.00 0.23 H new ATOM 0 HG22 VAL A 75 -2.431 4.611 9.211 1.00 0.23 H new ATOM 0 HG23 VAL A 75 -1.771 3.480 10.416 1.00 0.23 H new ATOM 1026 N GLN A 76 -5.494 3.082 7.497 1.00 0.31 N ATOM 1027 CA GLN A 76 -6.450 3.931 6.784 1.00 0.37 C ATOM 1028 C GLN A 76 -5.803 5.217 6.256 1.00 0.48 C ATOM 1029 O GLN A 76 -6.001 5.584 5.099 1.00 0.94 O ATOM 1030 CB GLN A 76 -7.656 4.252 7.672 1.00 0.40 C ATOM 1031 CG GLN A 76 -8.760 5.006 6.953 1.00 0.94 C ATOM 1032 CD GLN A 76 -9.993 5.176 7.816 1.00 1.07 C ATOM 1033 OE1 GLN A 76 -10.893 4.338 7.803 1.00 1.63 O ATOM 1034 NE2 GLN A 76 -10.037 6.254 8.580 1.00 1.56 N ATOM 0 H GLN A 76 -5.282 2.214 7.004 1.00 0.31 H new ATOM 0 HA GLN A 76 -6.795 3.369 5.916 1.00 0.37 H new ATOM 0 HB2 GLN A 76 -8.062 3.321 8.068 1.00 0.40 H new ATOM 0 HB3 GLN A 76 -7.321 4.842 8.525 1.00 0.40 H new ATOM 0 HG2 GLN A 76 -8.391 5.987 6.652 1.00 0.94 H new ATOM 0 HG3 GLN A 76 -9.028 4.472 6.041 1.00 0.94 H new ATOM 0 HE21 GLN A 76 -9.269 6.925 8.561 1.00 1.56 H new ATOM 0 HE22 GLN A 76 -10.839 6.415 9.189 1.00 1.56 H new ATOM 1043 N SER A 77 -5.024 5.888 7.092 1.00 0.40 N ATOM 1044 CA SER A 77 -4.432 7.162 6.719 1.00 0.50 C ATOM 1045 C SER A 77 -2.924 7.038 6.464 1.00 0.42 C ATOM 1046 O SER A 77 -2.490 7.023 5.311 1.00 0.39 O ATOM 1047 CB SER A 77 -4.711 8.205 7.807 1.00 0.66 C ATOM 1048 OG SER A 77 -4.168 9.467 7.464 1.00 1.44 O ATOM 0 H SER A 77 -4.788 5.571 8.032 1.00 0.40 H new ATOM 0 HA SER A 77 -4.891 7.485 5.785 1.00 0.50 H new ATOM 0 HB2 SER A 77 -5.787 8.298 7.956 1.00 0.66 H new ATOM 0 HB3 SER A 77 -4.286 7.869 8.753 1.00 0.66 H new ATOM 0 HG SER A 77 -4.363 10.112 8.176 1.00 1.44 H new ATOM 1054 N LYS A 78 -2.133 6.927 7.536 1.00 0.43 N ATOM 1055 CA LYS A 78 -0.670 6.993 7.431 1.00 0.42 C ATOM 1056 C LYS A 78 -0.110 5.947 6.492 1.00 0.45 C ATOM 1057 O LYS A 78 0.484 6.293 5.482 1.00 0.95 O ATOM 1058 CB LYS A 78 -0.008 6.870 8.806 1.00 0.44 C ATOM 1059 CG LYS A 78 0.279 8.213 9.485 1.00 0.59 C ATOM 1060 CD LYS A 78 -0.939 9.137 9.541 1.00 0.73 C ATOM 1061 CE LYS A 78 -1.127 9.941 8.255 1.00 1.17 C ATOM 1062 NZ LYS A 78 -0.009 10.889 8.003 1.00 1.13 N ATOM 0 H LYS A 78 -2.480 6.791 8.486 1.00 0.43 H new ATOM 0 HA LYS A 78 -0.437 7.972 7.012 1.00 0.42 H new ATOM 0 HB2 LYS A 78 -0.652 6.277 9.456 1.00 0.44 H new ATOM 0 HB3 LYS A 78 0.928 6.322 8.699 1.00 0.44 H new ATOM 0 HG2 LYS A 78 0.634 8.031 10.499 1.00 0.59 H new ATOM 0 HG3 LYS A 78 1.084 8.717 8.951 1.00 0.59 H new ATOM 0 HD2 LYS A 78 -1.833 8.542 9.727 1.00 0.73 H new ATOM 0 HD3 LYS A 78 -0.832 9.823 10.381 1.00 0.73 H new ATOM 0 HE2 LYS A 78 -1.214 9.255 7.412 1.00 1.17 H new ATOM 0 HE3 LYS A 78 -2.063 10.496 8.312 1.00 1.17 H new ATOM 0 HZ1 LYS A 78 -0.353 11.865 8.102 1.00 1.13 H new ATOM 0 HZ2 LYS A 78 0.752 10.719 8.691 1.00 1.13 H new ATOM 0 HZ3 LYS A 78 0.356 10.747 7.040 1.00 1.13 H new ATOM 1076 N GLY A 79 -0.314 4.679 6.819 1.00 0.34 N ATOM 1077 CA GLY A 79 0.233 3.599 6.025 1.00 0.30 C ATOM 1078 C GLY A 79 -0.148 3.720 4.572 1.00 0.30 C ATOM 1079 O GLY A 79 0.703 3.596 3.707 1.00 0.33 O ATOM 0 H GLY A 79 -0.855 4.377 7.629 1.00 0.34 H new ATOM 0 HA2 GLY A 79 1.319 3.596 6.116 1.00 0.30 H new ATOM 0 HA3 GLY A 79 -0.123 2.645 6.415 1.00 0.30 H new ATOM 1083 N GLU A 80 -1.423 3.972 4.304 1.00 0.30 N ATOM 1084 CA GLU A 80 -1.874 4.190 2.925 1.00 0.32 C ATOM 1085 C GLU A 80 -1.069 5.302 2.246 1.00 0.32 C ATOM 1086 O GLU A 80 -0.517 5.117 1.160 1.00 0.34 O ATOM 1087 CB GLU A 80 -3.356 4.569 2.882 1.00 0.34 C ATOM 1088 CG GLU A 80 -3.814 4.923 1.475 1.00 0.42 C ATOM 1089 CD GLU A 80 -5.249 5.388 1.386 1.00 0.52 C ATOM 1090 OE1 GLU A 80 -5.499 6.587 1.607 1.00 1.18 O ATOM 1091 OE2 GLU A 80 -6.139 4.541 1.161 1.00 0.50 O ATOM 0 H GLU A 80 -2.158 4.031 5.009 1.00 0.30 H new ATOM 0 HA GLU A 80 -1.720 3.252 2.392 1.00 0.32 H new ATOM 0 HB2 GLU A 80 -3.953 3.739 3.259 1.00 0.34 H new ATOM 0 HB3 GLU A 80 -3.533 5.416 3.545 1.00 0.34 H new ATOM 0 HG2 GLU A 80 -3.166 5.706 1.081 1.00 0.42 H new ATOM 0 HG3 GLU A 80 -3.687 4.051 0.834 1.00 0.42 H new ATOM 1098 N GLU A 81 -0.971 6.434 2.928 1.00 0.32 N ATOM 1099 CA GLU A 81 -0.327 7.619 2.381 1.00 0.35 C ATOM 1100 C GLU A 81 1.170 7.395 2.203 1.00 0.35 C ATOM 1101 O GLU A 81 1.746 7.692 1.154 1.00 0.38 O ATOM 1102 CB GLU A 81 -0.586 8.784 3.345 1.00 0.40 C ATOM 1103 CG GLU A 81 0.167 10.065 3.032 1.00 0.86 C ATOM 1104 CD GLU A 81 -0.102 11.143 4.065 1.00 0.80 C ATOM 1105 OE1 GLU A 81 0.572 11.146 5.114 1.00 1.09 O ATOM 1106 OE2 GLU A 81 -0.984 12.002 3.827 1.00 1.15 O ATOM 0 H GLU A 81 -1.334 6.557 3.873 1.00 0.32 H new ATOM 0 HA GLU A 81 -0.738 7.843 1.397 1.00 0.35 H new ATOM 0 HB2 GLU A 81 -1.654 9.001 3.348 1.00 0.40 H new ATOM 0 HB3 GLU A 81 -0.323 8.465 4.354 1.00 0.40 H new ATOM 0 HG2 GLU A 81 1.236 9.858 2.993 1.00 0.86 H new ATOM 0 HG3 GLU A 81 -0.124 10.426 2.046 1.00 0.86 H new ATOM 1113 N VAL A 82 1.786 6.838 3.226 1.00 0.33 N ATOM 1114 CA VAL A 82 3.215 6.608 3.221 1.00 0.35 C ATOM 1115 C VAL A 82 3.618 5.458 2.304 1.00 0.35 C ATOM 1116 O VAL A 82 4.693 5.490 1.719 1.00 0.38 O ATOM 1117 CB VAL A 82 3.771 6.393 4.641 1.00 0.38 C ATOM 1118 CG1 VAL A 82 3.467 7.607 5.499 1.00 0.42 C ATOM 1119 CG2 VAL A 82 3.220 5.132 5.288 1.00 0.46 C ATOM 0 H VAL A 82 1.314 6.534 4.078 1.00 0.33 H new ATOM 0 HA VAL A 82 3.663 7.517 2.820 1.00 0.35 H new ATOM 0 HB VAL A 82 4.850 6.264 4.561 1.00 0.38 H new ATOM 0 HG11 VAL A 82 3.862 7.451 6.503 1.00 0.42 H new ATOM 0 HG12 VAL A 82 3.932 8.489 5.059 1.00 0.42 H new ATOM 0 HG13 VAL A 82 2.388 7.754 5.552 1.00 0.42 H new ATOM 0 HG21 VAL A 82 3.640 5.022 6.288 1.00 0.46 H new ATOM 0 HG22 VAL A 82 2.134 5.203 5.357 1.00 0.46 H new ATOM 0 HG23 VAL A 82 3.490 4.266 4.684 1.00 0.46 H new ATOM 1129 N SER A 83 2.771 4.437 2.187 1.00 0.34 N ATOM 1130 CA SER A 83 3.126 3.259 1.407 1.00 0.36 C ATOM 1131 C SER A 83 3.326 3.602 -0.062 1.00 0.33 C ATOM 1132 O SER A 83 4.359 3.260 -0.637 1.00 0.32 O ATOM 1133 CB SER A 83 2.048 2.181 1.534 1.00 0.42 C ATOM 1134 OG SER A 83 0.767 2.684 1.212 1.00 1.28 O ATOM 0 H SER A 83 1.847 4.403 2.617 1.00 0.34 H new ATOM 0 HA SER A 83 4.067 2.880 1.806 1.00 0.36 H new ATOM 0 HB2 SER A 83 2.288 1.347 0.875 1.00 0.42 H new ATOM 0 HB3 SER A 83 2.041 1.791 2.552 1.00 0.42 H new ATOM 0 HG SER A 83 0.402 3.168 1.982 1.00 1.28 H new ATOM 1140 N GLU A 84 2.371 4.315 -0.654 1.00 0.32 N ATOM 1141 CA GLU A 84 2.486 4.694 -2.056 1.00 0.33 C ATOM 1142 C GLU A 84 3.642 5.658 -2.234 1.00 0.30 C ATOM 1143 O GLU A 84 4.392 5.571 -3.204 1.00 0.36 O ATOM 1144 CB GLU A 84 1.178 5.303 -2.593 1.00 0.37 C ATOM 1145 CG GLU A 84 0.643 6.459 -1.752 1.00 0.34 C ATOM 1146 CD GLU A 84 -0.664 7.024 -2.276 1.00 0.51 C ATOM 1147 OE1 GLU A 84 -1.426 6.270 -2.929 1.00 0.79 O ATOM 1148 OE2 GLU A 84 -0.939 8.218 -2.038 1.00 0.72 O ATOM 0 H GLU A 84 1.521 4.637 -0.191 1.00 0.32 H new ATOM 0 HA GLU A 84 2.680 3.792 -2.636 1.00 0.33 H new ATOM 0 HB2 GLU A 84 1.343 5.654 -3.612 1.00 0.37 H new ATOM 0 HB3 GLU A 84 0.419 4.522 -2.644 1.00 0.37 H new ATOM 0 HG2 GLU A 84 0.499 6.118 -0.727 1.00 0.34 H new ATOM 0 HG3 GLU A 84 1.389 7.253 -1.722 1.00 0.34 H new ATOM 1155 N PHE A 85 3.799 6.562 -1.280 1.00 0.26 N ATOM 1156 CA PHE A 85 4.887 7.514 -1.322 1.00 0.25 C ATOM 1157 C PHE A 85 6.238 6.801 -1.266 1.00 0.23 C ATOM 1158 O PHE A 85 7.100 7.044 -2.098 1.00 0.24 O ATOM 1159 CB PHE A 85 4.762 8.502 -0.157 1.00 0.28 C ATOM 1160 CG PHE A 85 5.824 9.568 -0.141 1.00 0.36 C ATOM 1161 CD1 PHE A 85 5.764 10.638 -1.019 1.00 0.46 C ATOM 1162 CD2 PHE A 85 6.883 9.499 0.754 1.00 0.44 C ATOM 1163 CE1 PHE A 85 6.739 11.617 -1.007 1.00 0.57 C ATOM 1164 CE2 PHE A 85 7.861 10.475 0.769 1.00 0.54 C ATOM 1165 CZ PHE A 85 7.788 11.536 -0.114 1.00 0.59 C ATOM 0 H PHE A 85 3.186 6.653 -0.470 1.00 0.26 H new ATOM 0 HA PHE A 85 4.830 8.061 -2.263 1.00 0.25 H new ATOM 0 HB2 PHE A 85 3.783 8.980 -0.203 1.00 0.28 H new ATOM 0 HB3 PHE A 85 4.803 7.949 0.781 1.00 0.28 H new ATOM 0 HD1 PHE A 85 4.946 10.708 -1.721 1.00 0.46 H new ATOM 0 HD2 PHE A 85 6.943 8.673 1.447 1.00 0.44 H new ATOM 0 HE1 PHE A 85 6.680 12.446 -1.697 1.00 0.57 H new ATOM 0 HE2 PHE A 85 8.681 10.409 1.469 1.00 0.54 H new ATOM 0 HZ PHE A 85 8.551 12.300 -0.105 1.00 0.59 H new ATOM 1175 N PHE A 86 6.402 5.897 -0.306 1.00 0.23 N ATOM 1176 CA PHE A 86 7.685 5.248 -0.077 1.00 0.27 C ATOM 1177 C PHE A 86 8.008 4.169 -1.103 1.00 0.29 C ATOM 1178 O PHE A 86 9.106 4.150 -1.664 1.00 0.33 O ATOM 1179 CB PHE A 86 7.746 4.675 1.335 1.00 0.30 C ATOM 1180 CG PHE A 86 8.781 5.351 2.179 1.00 0.61 C ATOM 1181 CD1 PHE A 86 8.639 6.682 2.533 1.00 1.18 C ATOM 1182 CD2 PHE A 86 9.906 4.663 2.596 1.00 1.04 C ATOM 1183 CE1 PHE A 86 9.601 7.315 3.292 1.00 1.58 C ATOM 1184 CE2 PHE A 86 10.872 5.291 3.354 1.00 1.45 C ATOM 1185 CZ PHE A 86 10.720 6.620 3.703 1.00 1.58 C ATOM 0 H PHE A 86 5.660 5.598 0.327 1.00 0.23 H new ATOM 0 HA PHE A 86 8.446 6.020 -0.192 1.00 0.27 H new ATOM 0 HB2 PHE A 86 6.770 4.778 1.809 1.00 0.30 H new ATOM 0 HB3 PHE A 86 7.963 3.608 1.283 1.00 0.30 H new ATOM 0 HD1 PHE A 86 7.766 7.230 2.211 1.00 1.18 H new ATOM 0 HD2 PHE A 86 10.029 3.625 2.326 1.00 1.04 H new ATOM 0 HE1 PHE A 86 9.479 8.353 3.564 1.00 1.58 H new ATOM 0 HE2 PHE A 86 11.747 4.745 3.675 1.00 1.45 H new ATOM 0 HZ PHE A 86 11.476 7.113 4.296 1.00 1.58 H new ATOM 1195 N LEU A 87 7.071 3.265 -1.354 1.00 0.31 N ATOM 1196 CA LEU A 87 7.348 2.155 -2.254 1.00 0.36 C ATOM 1197 C LEU A 87 7.572 2.684 -3.667 1.00 0.35 C ATOM 1198 O LEU A 87 8.501 2.273 -4.369 1.00 0.39 O ATOM 1199 CB LEU A 87 6.221 1.096 -2.193 1.00 0.40 C ATOM 1200 CG LEU A 87 4.999 1.323 -3.093 1.00 0.60 C ATOM 1201 CD1 LEU A 87 5.163 0.594 -4.417 1.00 0.93 C ATOM 1202 CD2 LEU A 87 3.731 0.865 -2.394 1.00 0.83 C ATOM 0 H LEU A 87 6.132 3.276 -0.957 1.00 0.31 H new ATOM 0 HA LEU A 87 8.261 1.652 -1.936 1.00 0.36 H new ATOM 0 HB2 LEU A 87 6.653 0.128 -2.447 1.00 0.40 H new ATOM 0 HB3 LEU A 87 5.874 1.030 -1.162 1.00 0.40 H new ATOM 0 HG LEU A 87 4.919 2.391 -3.295 1.00 0.60 H new ATOM 0 HD11 LEU A 87 4.285 0.768 -5.040 1.00 0.93 H new ATOM 0 HD12 LEU A 87 6.051 0.965 -4.929 1.00 0.93 H new ATOM 0 HD13 LEU A 87 5.271 -0.475 -4.233 1.00 0.93 H new ATOM 0 HD21 LEU A 87 2.875 1.033 -3.047 1.00 0.83 H new ATOM 0 HD22 LEU A 87 3.807 -0.197 -2.162 1.00 0.83 H new ATOM 0 HD23 LEU A 87 3.600 1.430 -1.471 1.00 0.83 H new ATOM 1214 N TYR A 88 6.721 3.605 -4.070 1.00 0.34 N ATOM 1215 CA TYR A 88 6.809 4.217 -5.376 1.00 0.37 C ATOM 1216 C TYR A 88 7.919 5.249 -5.498 1.00 0.40 C ATOM 1217 O TYR A 88 8.421 5.437 -6.592 1.00 0.44 O ATOM 1218 CB TYR A 88 5.460 4.739 -5.838 1.00 0.45 C ATOM 1219 CG TYR A 88 4.610 3.619 -6.391 1.00 0.51 C ATOM 1220 CD1 TYR A 88 5.161 2.718 -7.291 1.00 0.53 C ATOM 1221 CD2 TYR A 88 3.284 3.440 -6.012 1.00 0.69 C ATOM 1222 CE1 TYR A 88 4.428 1.674 -7.802 1.00 0.65 C ATOM 1223 CE2 TYR A 88 2.535 2.392 -6.525 1.00 0.79 C ATOM 1224 CZ TYR A 88 3.115 1.511 -7.419 1.00 0.74 C ATOM 1225 OH TYR A 88 2.389 0.459 -7.929 1.00 0.89 O ATOM 0 H TYR A 88 5.949 3.949 -3.499 1.00 0.34 H new ATOM 0 HA TYR A 88 7.100 3.423 -6.064 1.00 0.37 H new ATOM 0 HB2 TYR A 88 4.944 5.215 -5.004 1.00 0.45 H new ATOM 0 HB3 TYR A 88 5.603 5.503 -6.602 1.00 0.45 H new ATOM 0 HD1 TYR A 88 6.190 2.840 -7.597 1.00 0.53 H new ATOM 0 HD2 TYR A 88 2.832 4.125 -5.310 1.00 0.69 H new ATOM 0 HE1 TYR A 88 4.879 0.985 -8.500 1.00 0.65 H new ATOM 0 HE2 TYR A 88 1.504 2.265 -6.228 1.00 0.79 H new ATOM 0 HH TYR A 88 2.981 -0.128 -8.444 1.00 0.89 H new ATOM 1235 N LEU A 89 8.277 5.971 -4.433 1.00 0.41 N ATOM 1236 CA LEU A 89 9.433 6.872 -4.533 1.00 0.50 C ATOM 1237 C LEU A 89 10.640 6.078 -5.014 1.00 0.47 C ATOM 1238 O LEU A 89 11.467 6.575 -5.778 1.00 0.48 O ATOM 1239 CB LEU A 89 9.742 7.638 -3.220 1.00 0.66 C ATOM 1240 CG LEU A 89 10.330 6.857 -2.029 1.00 0.70 C ATOM 1241 CD1 LEU A 89 11.822 6.600 -2.206 1.00 1.41 C ATOM 1242 CD2 LEU A 89 10.094 7.630 -0.739 1.00 1.23 C ATOM 0 H LEU A 89 7.808 5.955 -3.527 1.00 0.41 H new ATOM 0 HA LEU A 89 9.185 7.648 -5.257 1.00 0.50 H new ATOM 0 HB2 LEU A 89 10.436 8.443 -3.462 1.00 0.66 H new ATOM 0 HB3 LEU A 89 8.816 8.105 -2.884 1.00 0.66 H new ATOM 0 HG LEU A 89 9.826 5.892 -1.981 1.00 0.70 H new ATOM 0 HD11 LEU A 89 12.200 6.047 -1.346 1.00 1.41 H new ATOM 0 HD12 LEU A 89 11.986 6.018 -3.113 1.00 1.41 H new ATOM 0 HD13 LEU A 89 12.348 7.551 -2.286 1.00 1.41 H new ATOM 0 HD21 LEU A 89 10.512 7.074 0.100 1.00 1.23 H new ATOM 0 HD22 LEU A 89 10.578 8.604 -0.805 1.00 1.23 H new ATOM 0 HD23 LEU A 89 9.023 7.766 -0.587 1.00 1.23 H new ATOM 1254 N LEU A 90 10.725 4.832 -4.565 1.00 0.46 N ATOM 1255 CA LEU A 90 11.750 3.922 -5.044 1.00 0.46 C ATOM 1256 C LEU A 90 11.528 3.612 -6.530 1.00 0.40 C ATOM 1257 O LEU A 90 12.476 3.580 -7.314 1.00 0.42 O ATOM 1258 CB LEU A 90 11.727 2.628 -4.219 1.00 0.54 C ATOM 1259 CG LEU A 90 13.097 2.035 -3.864 1.00 0.82 C ATOM 1260 CD1 LEU A 90 13.874 1.649 -5.114 1.00 1.33 C ATOM 1261 CD2 LEU A 90 13.895 3.017 -3.020 1.00 1.59 C ATOM 0 H LEU A 90 10.095 4.431 -3.870 1.00 0.46 H new ATOM 0 HA LEU A 90 12.726 4.394 -4.930 1.00 0.46 H new ATOM 0 HB2 LEU A 90 11.185 2.820 -3.293 1.00 0.54 H new ATOM 0 HB3 LEU A 90 11.160 1.878 -4.771 1.00 0.54 H new ATOM 0 HG LEU A 90 12.931 1.128 -3.283 1.00 0.82 H new ATOM 0 HD11 LEU A 90 14.840 1.232 -4.828 1.00 1.33 H new ATOM 0 HD12 LEU A 90 13.310 0.905 -5.678 1.00 1.33 H new ATOM 0 HD13 LEU A 90 14.029 2.532 -5.733 1.00 1.33 H new ATOM 0 HD21 LEU A 90 14.864 2.583 -2.776 1.00 1.59 H new ATOM 0 HD22 LEU A 90 14.042 3.941 -3.579 1.00 1.59 H new ATOM 0 HD23 LEU A 90 13.351 3.232 -2.100 1.00 1.59 H new ATOM 1273 N GLN A 91 10.270 3.394 -6.914 1.00 0.36 N ATOM 1274 CA GLN A 91 9.948 3.009 -8.290 1.00 0.35 C ATOM 1275 C GLN A 91 10.010 4.198 -9.281 1.00 0.34 C ATOM 1276 O GLN A 91 10.701 4.114 -10.299 1.00 0.40 O ATOM 1277 CB GLN A 91 8.567 2.327 -8.313 1.00 0.38 C ATOM 1278 CG GLN A 91 7.972 2.124 -9.697 1.00 0.72 C ATOM 1279 CD GLN A 91 8.770 1.171 -10.560 1.00 1.14 C ATOM 1280 OE1 GLN A 91 8.560 -0.035 -10.525 1.00 1.74 O ATOM 1281 NE2 GLN A 91 9.684 1.707 -11.350 1.00 1.70 N ATOM 0 H GLN A 91 9.462 3.476 -6.297 1.00 0.36 H new ATOM 0 HA GLN A 91 10.709 2.307 -8.630 1.00 0.35 H new ATOM 0 HB2 GLN A 91 8.650 1.356 -7.824 1.00 0.38 H new ATOM 0 HB3 GLN A 91 7.874 2.924 -7.720 1.00 0.38 H new ATOM 0 HG2 GLN A 91 6.955 1.745 -9.595 1.00 0.72 H new ATOM 0 HG3 GLN A 91 7.904 3.088 -10.200 1.00 0.72 H new ATOM 0 HE21 GLN A 91 9.829 2.717 -11.350 1.00 1.70 H new ATOM 0 HE22 GLN A 91 10.244 1.111 -11.959 1.00 1.70 H new ATOM 1290 N GLN A 92 9.327 5.302 -8.955 1.00 0.31 N ATOM 1291 CA GLN A 92 9.273 6.522 -9.782 1.00 0.36 C ATOM 1292 C GLN A 92 8.261 7.507 -9.195 1.00 0.39 C ATOM 1293 O GLN A 92 7.050 7.301 -9.281 1.00 0.42 O ATOM 1294 CB GLN A 92 8.928 6.242 -11.265 1.00 0.43 C ATOM 1295 CG GLN A 92 8.061 5.017 -11.525 1.00 0.46 C ATOM 1296 CD GLN A 92 8.175 4.536 -12.961 1.00 0.62 C ATOM 1297 OE1 GLN A 92 8.028 3.238 -13.173 1.00 0.87 O flip ATOM 1298 NE2 GLN A 92 8.411 5.325 -13.876 1.00 0.87 N flip ATOM 0 H GLN A 92 8.785 5.378 -8.094 1.00 0.31 H new ATOM 0 HA GLN A 92 10.275 6.952 -9.766 1.00 0.36 H new ATOM 0 HB2 GLN A 92 8.419 7.116 -11.671 1.00 0.43 H new ATOM 0 HB3 GLN A 92 9.859 6.129 -11.820 1.00 0.43 H new ATOM 0 HG2 GLN A 92 8.355 4.214 -10.849 1.00 0.46 H new ATOM 0 HG3 GLN A 92 7.021 5.255 -11.304 1.00 0.46 H new ATOM 0 HE21 GLN A 92 8.518 6.320 -13.677 1.00 0.87 H new ATOM 0 HE22 GLN A 92 8.499 4.984 -14.833 1.00 0.87 H new ATOM 1307 N LEU A 93 8.793 8.583 -8.597 1.00 0.48 N ATOM 1308 CA LEU A 93 7.985 9.639 -7.968 1.00 0.61 C ATOM 1309 C LEU A 93 6.938 10.189 -8.920 1.00 0.61 C ATOM 1310 O LEU A 93 5.737 10.124 -8.657 1.00 0.66 O ATOM 1311 CB LEU A 93 8.872 10.812 -7.523 1.00 0.80 C ATOM 1312 CG LEU A 93 9.678 10.611 -6.242 1.00 0.78 C ATOM 1313 CD1 LEU A 93 8.758 10.225 -5.099 1.00 1.28 C ATOM 1314 CD2 LEU A 93 10.776 9.577 -6.440 1.00 1.60 C ATOM 0 H LEU A 93 9.798 8.746 -8.536 1.00 0.48 H new ATOM 0 HA LEU A 93 7.494 9.181 -7.109 1.00 0.61 H new ATOM 0 HB2 LEU A 93 9.567 11.039 -8.331 1.00 0.80 H new ATOM 0 HB3 LEU A 93 8.238 11.689 -7.392 1.00 0.80 H new ATOM 0 HG LEU A 93 10.163 11.554 -5.988 1.00 0.78 H new ATOM 0 HD11 LEU A 93 9.345 10.084 -4.191 1.00 1.28 H new ATOM 0 HD12 LEU A 93 8.025 11.016 -4.939 1.00 1.28 H new ATOM 0 HD13 LEU A 93 8.242 9.297 -5.345 1.00 1.28 H new ATOM 0 HD21 LEU A 93 11.333 9.455 -5.511 1.00 1.60 H new ATOM 0 HD22 LEU A 93 10.331 8.623 -6.724 1.00 1.60 H new ATOM 0 HD23 LEU A 93 11.452 9.910 -7.227 1.00 1.60 H new ATOM 1326 N ALA A 94 7.425 10.745 -10.016 1.00 0.63 N ATOM 1327 CA ALA A 94 6.586 11.420 -10.992 1.00 0.73 C ATOM 1328 C ALA A 94 5.560 10.480 -11.601 1.00 0.71 C ATOM 1329 O ALA A 94 4.460 10.896 -11.969 1.00 0.78 O ATOM 1330 CB ALA A 94 7.463 11.999 -12.081 1.00 0.79 C ATOM 0 H ALA A 94 8.417 10.741 -10.255 1.00 0.63 H new ATOM 0 HA ALA A 94 6.040 12.214 -10.483 1.00 0.73 H new ATOM 0 HB1 ALA A 94 6.841 12.507 -12.818 1.00 0.79 H new ATOM 0 HB2 ALA A 94 8.163 12.711 -11.644 1.00 0.79 H new ATOM 0 HB3 ALA A 94 8.018 11.196 -12.567 1.00 0.79 H new ATOM 1336 N ASP A 95 5.918 9.211 -11.694 1.00 0.65 N ATOM 1337 CA ASP A 95 5.078 8.247 -12.374 1.00 0.67 C ATOM 1338 C ASP A 95 3.906 7.825 -11.505 1.00 0.68 C ATOM 1339 O ASP A 95 2.778 7.745 -11.970 1.00 0.71 O ATOM 1340 CB ASP A 95 5.878 7.024 -12.788 1.00 0.67 C ATOM 1341 CG ASP A 95 5.077 6.077 -13.660 1.00 0.78 C ATOM 1342 OD1 ASP A 95 4.915 6.370 -14.866 1.00 0.88 O ATOM 1343 OD2 ASP A 95 4.623 5.032 -13.157 1.00 0.87 O ATOM 0 H ASP A 95 6.781 8.828 -11.308 1.00 0.65 H new ATOM 0 HA ASP A 95 4.688 8.733 -13.269 1.00 0.67 H new ATOM 0 HB2 ASP A 95 6.770 7.342 -13.327 1.00 0.67 H new ATOM 0 HB3 ASP A 95 6.215 6.495 -11.897 1.00 0.67 H new ATOM 1348 N ALA A 96 4.181 7.560 -10.239 1.00 0.67 N ATOM 1349 CA ALA A 96 3.166 7.035 -9.342 1.00 0.72 C ATOM 1350 C ALA A 96 2.231 8.108 -8.803 1.00 0.75 C ATOM 1351 O ALA A 96 1.020 8.001 -8.948 1.00 0.83 O ATOM 1352 CB ALA A 96 3.839 6.327 -8.188 1.00 0.74 C ATOM 0 H ALA A 96 5.096 7.699 -9.810 1.00 0.67 H new ATOM 0 HA ALA A 96 2.554 6.343 -9.920 1.00 0.72 H new ATOM 0 HB1 ALA A 96 3.081 5.931 -7.512 1.00 0.74 H new ATOM 0 HB2 ALA A 96 4.448 5.508 -8.569 1.00 0.74 H new ATOM 0 HB3 ALA A 96 4.473 7.031 -7.649 1.00 0.74 H new ATOM 1358 N TYR A 97 2.786 9.165 -8.227 1.00 0.72 N ATOM 1359 CA TYR A 97 1.977 10.049 -7.399 1.00 0.76 C ATOM 1360 C TYR A 97 1.151 11.045 -8.206 1.00 0.86 C ATOM 1361 O TYR A 97 -0.054 11.173 -7.987 1.00 0.96 O ATOM 1362 CB TYR A 97 2.844 10.782 -6.381 1.00 0.71 C ATOM 1363 CG TYR A 97 2.315 10.633 -4.974 1.00 0.72 C ATOM 1364 CD1 TYR A 97 1.140 11.265 -4.590 1.00 0.90 C ATOM 1365 CD2 TYR A 97 2.969 9.837 -4.042 1.00 0.84 C ATOM 1366 CE1 TYR A 97 0.634 11.112 -3.316 1.00 1.02 C ATOM 1367 CE2 TYR A 97 2.462 9.675 -2.768 1.00 0.96 C ATOM 1368 CZ TYR A 97 1.298 10.317 -2.409 1.00 0.98 C ATOM 1369 OH TYR A 97 0.780 10.141 -1.147 1.00 1.18 O ATOM 0 H TYR A 97 3.768 9.428 -8.313 1.00 0.72 H new ATOM 0 HA TYR A 97 1.268 9.408 -6.875 1.00 0.76 H new ATOM 0 HB2 TYR A 97 3.862 10.396 -6.428 1.00 0.71 H new ATOM 0 HB3 TYR A 97 2.891 11.840 -6.640 1.00 0.71 H new ATOM 0 HD1 TYR A 97 0.614 11.886 -5.300 1.00 0.90 H new ATOM 0 HD2 TYR A 97 3.886 9.338 -4.318 1.00 0.84 H new ATOM 0 HE1 TYR A 97 -0.279 11.614 -3.031 1.00 1.02 H new ATOM 0 HE2 TYR A 97 2.977 9.047 -2.056 1.00 0.96 H new ATOM 0 HH TYR A 97 0.084 9.452 -1.172 1.00 1.18 H new ATOM 1379 N VAL A 98 1.782 11.760 -9.125 1.00 0.91 N ATOM 1380 CA VAL A 98 1.068 12.764 -9.908 1.00 1.11 C ATOM 1381 C VAL A 98 0.038 12.102 -10.823 1.00 1.30 C ATOM 1382 O VAL A 98 -1.076 12.598 -11.002 1.00 1.35 O ATOM 1383 CB VAL A 98 2.044 13.605 -10.763 1.00 1.24 C ATOM 1384 CG1 VAL A 98 1.310 14.719 -11.493 1.00 1.74 C ATOM 1385 CG2 VAL A 98 3.157 14.177 -9.901 1.00 1.72 C ATOM 0 H VAL A 98 2.773 11.668 -9.347 1.00 0.91 H new ATOM 0 HA VAL A 98 0.558 13.423 -9.205 1.00 1.11 H new ATOM 0 HB VAL A 98 2.489 12.946 -11.509 1.00 1.24 H new ATOM 0 HG11 VAL A 98 2.020 15.295 -12.087 1.00 1.74 H new ATOM 0 HG12 VAL A 98 0.554 14.288 -12.149 1.00 1.74 H new ATOM 0 HG13 VAL A 98 0.829 15.374 -10.767 1.00 1.74 H new ATOM 0 HG21 VAL A 98 3.832 14.765 -10.522 1.00 1.72 H new ATOM 0 HG22 VAL A 98 2.728 14.814 -9.128 1.00 1.72 H new ATOM 0 HG23 VAL A 98 3.710 13.362 -9.434 1.00 1.72 H new ATOM 1395 N ASP A 99 0.423 10.950 -11.346 1.00 1.46 N ATOM 1396 CA ASP A 99 -0.361 10.215 -12.333 1.00 1.66 C ATOM 1397 C ASP A 99 -1.556 9.486 -11.713 1.00 1.52 C ATOM 1398 O ASP A 99 -2.382 8.952 -12.431 1.00 1.56 O ATOM 1399 CB ASP A 99 0.536 9.241 -13.095 1.00 2.08 C ATOM 1400 CG ASP A 99 -0.054 8.799 -14.422 1.00 2.73 C ATOM 1401 OD1 ASP A 99 -0.552 9.664 -15.178 1.00 3.22 O ATOM 1402 OD2 ASP A 99 0.008 7.590 -14.727 1.00 3.00 O ATOM 0 H ASP A 99 1.299 10.491 -11.096 1.00 1.46 H new ATOM 0 HA ASP A 99 -0.773 10.945 -13.030 1.00 1.66 H new ATOM 0 HB2 ASP A 99 1.503 9.711 -13.273 1.00 2.08 H new ATOM 0 HB3 ASP A 99 0.718 8.363 -12.475 1.00 2.08 H new ATOM 1407 N LEU A 100 -1.634 9.447 -10.380 1.00 1.45 N ATOM 1408 CA LEU A 100 -2.608 8.599 -9.663 1.00 1.47 C ATOM 1409 C LEU A 100 -4.072 8.808 -10.084 1.00 1.29 C ATOM 1410 O LEU A 100 -4.914 7.953 -9.795 1.00 1.31 O ATOM 1411 CB LEU A 100 -2.515 8.849 -8.153 1.00 1.67 C ATOM 1412 CG LEU A 100 -1.403 8.103 -7.416 1.00 1.93 C ATOM 1413 CD1 LEU A 100 -1.355 8.526 -5.955 1.00 2.62 C ATOM 1414 CD2 LEU A 100 -1.604 6.599 -7.529 1.00 2.05 C ATOM 0 H LEU A 100 -1.032 9.995 -9.766 1.00 1.45 H new ATOM 0 HA LEU A 100 -2.336 7.577 -9.927 1.00 1.47 H new ATOM 0 HB2 LEU A 100 -2.378 9.918 -7.990 1.00 1.67 H new ATOM 0 HB3 LEU A 100 -3.469 8.577 -7.701 1.00 1.67 H new ATOM 0 HG LEU A 100 -0.451 8.359 -7.880 1.00 1.93 H new ATOM 0 HD11 LEU A 100 -0.558 7.985 -5.446 1.00 2.62 H new ATOM 0 HD12 LEU A 100 -1.164 9.597 -5.892 1.00 2.62 H new ATOM 0 HD13 LEU A 100 -2.309 8.299 -5.479 1.00 2.62 H new ATOM 0 HD21 LEU A 100 -0.803 6.084 -6.998 1.00 2.05 H new ATOM 0 HD22 LEU A 100 -2.564 6.326 -7.090 1.00 2.05 H new ATOM 0 HD23 LEU A 100 -1.589 6.308 -8.579 1.00 2.05 H new ATOM 1426 N ARG A 101 -4.385 9.907 -10.768 1.00 1.20 N ATOM 1427 CA ARG A 101 -5.784 10.226 -11.079 1.00 1.24 C ATOM 1428 C ARG A 101 -6.476 9.097 -11.862 1.00 1.16 C ATOM 1429 O ARG A 101 -7.536 8.631 -11.447 1.00 1.28 O ATOM 1430 CB ARG A 101 -5.900 11.556 -11.839 1.00 1.33 C ATOM 1431 CG ARG A 101 -5.890 12.784 -10.940 1.00 1.51 C ATOM 1432 CD ARG A 101 -4.547 12.989 -10.262 1.00 1.91 C ATOM 1433 NE ARG A 101 -4.643 13.940 -9.159 1.00 2.59 N ATOM 1434 CZ ARG A 101 -3.676 14.158 -8.275 1.00 3.45 C ATOM 1435 NH1 ARG A 101 -2.488 13.579 -8.431 1.00 3.87 N ATOM 1436 NH2 ARG A 101 -3.887 14.977 -7.251 1.00 4.30 N ATOM 0 H ARG A 101 -3.705 10.584 -11.114 1.00 1.20 H new ATOM 0 HA ARG A 101 -6.300 10.329 -10.124 1.00 1.24 H new ATOM 0 HB2 ARG A 101 -5.076 11.631 -12.548 1.00 1.33 H new ATOM 0 HB3 ARG A 101 -6.822 11.551 -12.421 1.00 1.33 H new ATOM 0 HG2 ARG A 101 -6.135 13.667 -11.531 1.00 1.51 H new ATOM 0 HG3 ARG A 101 -6.666 12.683 -10.181 1.00 1.51 H new ATOM 0 HD2 ARG A 101 -4.177 12.034 -9.889 1.00 1.91 H new ATOM 0 HD3 ARG A 101 -3.821 13.349 -10.991 1.00 1.91 H new ATOM 0 HE ARG A 101 -5.508 14.471 -9.061 1.00 2.59 H new ATOM 0 HH11 ARG A 101 -2.320 12.967 -9.230 1.00 3.87 H new ATOM 0 HH12 ARG A 101 -1.746 13.747 -7.752 1.00 3.87 H new ATOM 0 HH21 ARG A 101 -4.791 15.438 -7.144 1.00 4.30 H new ATOM 0 HH22 ARG A 101 -3.145 15.145 -6.571 1.00 4.30 H new ATOM 1450 N PRO A 102 -5.919 8.635 -13.001 1.00 1.08 N ATOM 1451 CA PRO A 102 -6.428 7.440 -13.677 1.00 1.12 C ATOM 1452 C PRO A 102 -6.244 6.158 -12.857 1.00 1.04 C ATOM 1453 O PRO A 102 -7.105 5.291 -12.887 1.00 1.11 O ATOM 1454 CB PRO A 102 -5.610 7.367 -14.973 1.00 1.21 C ATOM 1455 CG PRO A 102 -4.397 8.183 -14.710 1.00 1.23 C ATOM 1456 CD PRO A 102 -4.834 9.269 -13.772 1.00 1.12 C ATOM 0 HA PRO A 102 -7.503 7.513 -13.840 1.00 1.12 H new ATOM 0 HB2 PRO A 102 -5.348 6.337 -15.216 1.00 1.21 H new ATOM 0 HB3 PRO A 102 -6.174 7.760 -15.818 1.00 1.21 H new ATOM 0 HG2 PRO A 102 -3.606 7.578 -14.267 1.00 1.23 H new ATOM 0 HG3 PRO A 102 -3.998 8.601 -15.634 1.00 1.23 H new ATOM 0 HD2 PRO A 102 -4.019 9.595 -13.126 1.00 1.12 H new ATOM 0 HD3 PRO A 102 -5.185 10.149 -14.311 1.00 1.12 H new ATOM 1464 N TRP A 103 -5.159 6.072 -12.077 1.00 0.95 N ATOM 1465 CA TRP A 103 -4.734 4.796 -11.479 1.00 0.93 C ATOM 1466 C TRP A 103 -5.836 4.132 -10.661 1.00 0.89 C ATOM 1467 O TRP A 103 -6.187 2.980 -10.915 1.00 0.97 O ATOM 1468 CB TRP A 103 -3.518 4.997 -10.566 1.00 0.95 C ATOM 1469 CG TRP A 103 -2.225 5.228 -11.288 1.00 1.08 C ATOM 1470 CD1 TRP A 103 -2.020 6.001 -12.392 1.00 1.52 C ATOM 1471 CD2 TRP A 103 -0.946 4.689 -10.935 1.00 0.87 C ATOM 1472 NE1 TRP A 103 -0.695 5.975 -12.745 1.00 1.57 N ATOM 1473 CE2 TRP A 103 -0.015 5.178 -11.866 1.00 1.12 C ATOM 1474 CE3 TRP A 103 -0.498 3.840 -9.917 1.00 0.72 C ATOM 1475 CZ2 TRP A 103 1.336 4.848 -11.813 1.00 1.00 C ATOM 1476 CZ3 TRP A 103 0.844 3.512 -9.865 1.00 0.72 C ATOM 1477 CH2 TRP A 103 1.749 4.018 -10.809 1.00 0.69 C ATOM 0 H TRP A 103 -4.561 6.865 -11.845 1.00 0.95 H new ATOM 0 HA TRP A 103 -4.481 4.146 -12.317 1.00 0.93 H new ATOM 0 HB2 TRP A 103 -3.709 5.847 -9.910 1.00 0.95 H new ATOM 0 HB3 TRP A 103 -3.411 4.120 -9.928 1.00 0.95 H new ATOM 0 HD1 TRP A 103 -2.789 6.553 -12.912 1.00 1.52 H new ATOM 0 HE1 TRP A 103 -0.283 6.470 -13.536 1.00 1.57 H new ATOM 0 HE3 TRP A 103 -1.188 3.448 -9.185 1.00 0.72 H new ATOM 0 HZ2 TRP A 103 2.034 5.235 -12.541 1.00 1.00 H new ATOM 0 HZ3 TRP A 103 1.201 2.856 -9.085 1.00 0.72 H new ATOM 0 HH2 TRP A 103 2.792 3.747 -10.741 1.00 0.69 H new ATOM 1488 N LEU A 104 -6.405 4.856 -9.706 1.00 0.84 N ATOM 1489 CA LEU A 104 -7.428 4.267 -8.845 1.00 0.87 C ATOM 1490 C LEU A 104 -8.701 4.017 -9.645 1.00 1.03 C ATOM 1491 O LEU A 104 -9.411 3.036 -9.423 1.00 1.12 O ATOM 1492 CB LEU A 104 -7.746 5.129 -7.609 1.00 0.92 C ATOM 1493 CG LEU A 104 -6.572 5.465 -6.670 1.00 1.26 C ATOM 1494 CD1 LEU A 104 -5.597 6.442 -7.303 1.00 1.78 C ATOM 1495 CD2 LEU A 104 -7.098 6.033 -5.362 1.00 1.78 C ATOM 0 H LEU A 104 -6.184 5.832 -9.508 1.00 0.84 H new ATOM 0 HA LEU A 104 -7.025 3.324 -8.477 1.00 0.87 H new ATOM 0 HB2 LEU A 104 -8.184 6.066 -7.953 1.00 0.92 H new ATOM 0 HB3 LEU A 104 -8.510 4.616 -7.026 1.00 0.92 H new ATOM 0 HG LEU A 104 -6.031 4.538 -6.478 1.00 1.26 H new ATOM 0 HD11 LEU A 104 -4.786 6.650 -6.605 1.00 1.78 H new ATOM 0 HD12 LEU A 104 -5.188 6.008 -8.216 1.00 1.78 H new ATOM 0 HD13 LEU A 104 -6.116 7.370 -7.543 1.00 1.78 H new ATOM 0 HD21 LEU A 104 -6.261 6.268 -4.704 1.00 1.78 H new ATOM 0 HD22 LEU A 104 -7.667 6.941 -5.562 1.00 1.78 H new ATOM 0 HD23 LEU A 104 -7.743 5.299 -4.880 1.00 1.78 H new