USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 660 hydrogens (21 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 62 LYS NZ :NH3+ 147:sc= -0.33 (180deg=-0.147) USER MOD Set 1.2: A 75 LYS NZ :NH3+ 158:sc= -0.25 (180deg=-0.722) USER MOD Set 2.1: A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 28 ASN : amide:sc= -2.96! K(o=-10!,f=-13) USER MOD Set 3.2: A 64 ASN :FLIP amide:sc= -7.21! C(o=-11!,f=-10!) USER MOD Single : A 1 LEU N :NH3+ 149:sc= 0.0376 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 150:sc= -0.557 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.78 K(o=-1.8,f=-2.4!) USER MOD Single : A 17 SER OG : rot 34:sc= 1.22 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN :FLIP amide:sc= -4.18 F(o=-6.4!,f=-4.2) USER MOD Single : A 25 MET CE :methyl 141:sc= -0.202 (180deg=-2) USER MOD Single : A 26 ASN : amide:sc= -0.664 X(o=-0.66,f=-0.75) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -7:sc= 0.812! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.121 K(o=-0.12,f=-2.2!) USER MOD Single : A 54 THR OG1 : rot -75:sc= 0.366 USER MOD Single : A 56 SER OG : rot 180:sc= 0.207 USER MOD Single : A 58 GLN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 65 THR OG1 : rot 160:sc= -0.393 USER MOD Single : A 67 GLN : amide:sc= 0.162 X(o=0.16,f=0) USER MOD Single : A 72 TYR OH : rot 165:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -1.86 F(o=-2.5,f=-1.9) USER MOD Single : A 77 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.058) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0.00556 X(o=0.0056,f=0) USER MOD Single : A 137 PNS O33 : rot -101:sc= -0.026 USER MOD Single : A 137 PNS S44 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.464 7.121 -1.412 1.00 0.00 N ATOM 2 CA LEU A 1 3.566 8.197 -1.007 1.00 0.00 C ATOM 3 C LEU A 1 2.110 7.812 -1.249 1.00 0.00 C ATOM 4 O LEU A 1 1.805 7.029 -2.149 1.00 0.00 O ATOM 5 CB LEU A 1 3.899 9.481 -1.768 1.00 0.00 C ATOM 6 CG LEU A 1 4.680 10.540 -0.990 1.00 0.00 C ATOM 7 CD1 LEU A 1 6.155 10.492 -1.355 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.108 11.926 -1.254 1.00 0.00 C ATOM 0 H1 LEU A 1 5.364 7.525 -1.741 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.642 6.494 -0.602 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.027 6.576 -2.182 1.00 0.00 H new ATOM 0 HA LEU A 1 3.705 8.369 0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.473 9.215 -2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.966 9.927 -2.113 1.00 0.00 H new ATOM 0 HG LEU A 1 4.584 10.325 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.694 11.253 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 1 6.558 9.508 -1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 1 6.272 10.680 -2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.676 12.667 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.173 12.150 -2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.064 11.955 -0.940 1.00 0.00 H new ATOM 20 N LYS A 2 1.214 8.369 -0.441 1.00 0.00 N ATOM 21 CA LYS A 2 -0.211 8.088 -0.569 1.00 0.00 C ATOM 22 C LYS A 2 -0.494 6.603 -0.361 1.00 0.00 C ATOM 23 O LYS A 2 -1.433 6.054 -0.936 1.00 0.00 O ATOM 24 CB LYS A 2 -0.717 8.526 -1.945 1.00 0.00 C ATOM 25 CG LYS A 2 -2.185 8.918 -1.957 1.00 0.00 C ATOM 26 CD LYS A 2 -2.400 10.291 -1.342 1.00 0.00 C ATOM 27 CE LYS A 2 -1.879 11.396 -2.248 1.00 0.00 C ATOM 28 NZ LYS A 2 -2.900 12.457 -2.471 1.00 0.00 N ATOM 0 H LYS A 2 1.450 9.018 0.310 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.737 8.652 0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.121 9.371 -2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.560 7.714 -2.656 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.555 8.915 -2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.765 8.177 -1.407 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.463 10.444 -1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.895 10.342 -0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.986 11.838 -1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.582 10.970 -3.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.507 13.192 -3.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.742 12.040 -2.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.165 12.881 -1.559 1.00 0.00 H new ATOM 42 N SER A 3 0.325 5.960 0.465 1.00 0.00 N ATOM 43 CA SER A 3 0.164 4.538 0.747 1.00 0.00 C ATOM 44 C SER A 3 -0.900 4.314 1.817 1.00 0.00 C ATOM 45 O SER A 3 -1.621 3.315 1.793 1.00 0.00 O ATOM 46 CB SER A 3 1.494 3.933 1.201 1.00 0.00 C ATOM 47 OG SER A 3 1.709 2.667 0.601 1.00 0.00 O ATOM 0 H SER A 3 1.106 6.401 0.951 1.00 0.00 H new ATOM 0 HA SER A 3 -0.158 4.045 -0.170 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.311 4.606 0.941 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.499 3.830 2.286 1.00 0.00 H new ATOM 0 HG SER A 3 2.566 2.302 0.906 1.00 0.00 H new ATOM 53 N THR A 4 -0.995 5.250 2.755 1.00 0.00 N ATOM 54 CA THR A 4 -1.969 5.156 3.835 1.00 0.00 C ATOM 55 C THR A 4 -3.370 4.902 3.290 1.00 0.00 C ATOM 56 O THR A 4 -4.161 4.178 3.895 1.00 0.00 O ATOM 57 CB THR A 4 -1.988 6.438 4.689 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.978 6.327 5.717 1.00 0.00 O ATOM 59 CG2 THR A 4 -2.279 7.658 3.828 1.00 0.00 C ATOM 0 H THR A 4 -0.408 6.084 2.789 1.00 0.00 H new ATOM 0 HA THR A 4 -1.667 4.316 4.461 1.00 0.00 H new ATOM 0 HB THR A 4 -1.005 6.560 5.143 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.698 6.847 6.499 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.287 8.551 4.453 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.507 7.757 3.064 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.251 7.542 3.349 1.00 0.00 H new ATOM 67 N PHE A 5 -3.671 5.501 2.142 1.00 0.00 N ATOM 68 CA PHE A 5 -4.978 5.339 1.516 1.00 0.00 C ATOM 69 C PHE A 5 -5.367 3.865 1.440 1.00 0.00 C ATOM 70 O PHE A 5 -6.548 3.521 1.481 1.00 0.00 O ATOM 71 CB PHE A 5 -4.973 5.949 0.112 1.00 0.00 C ATOM 72 CG PHE A 5 -6.201 6.758 -0.194 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.447 6.347 0.254 1.00 0.00 C ATOM 74 CD2 PHE A 5 -6.111 7.928 -0.930 1.00 0.00 C ATOM 75 CE1 PHE A 5 -8.579 7.089 -0.026 1.00 0.00 C ATOM 76 CE2 PHE A 5 -7.239 8.674 -1.213 1.00 0.00 C ATOM 77 CZ PHE A 5 -8.475 8.254 -0.761 1.00 0.00 C ATOM 0 H PHE A 5 -3.028 6.102 1.627 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.714 5.859 2.129 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.093 6.583 0.003 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.882 5.149 -0.623 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.534 5.437 0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.148 8.261 -1.287 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.544 6.758 0.329 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.154 9.585 -1.787 1.00 0.00 H new ATOM 0 HZ PHE A 5 -9.358 8.835 -0.982 1.00 0.00 H new ATOM 87 N ASP A 6 -4.364 3.001 1.330 1.00 0.00 N ATOM 88 CA ASP A 6 -4.600 1.564 1.249 1.00 0.00 C ATOM 89 C ASP A 6 -5.301 1.056 2.505 1.00 0.00 C ATOM 90 O ASP A 6 -6.448 0.613 2.451 1.00 0.00 O ATOM 91 CB ASP A 6 -3.278 0.819 1.053 1.00 0.00 C ATOM 92 CG ASP A 6 -3.463 -0.685 0.999 1.00 0.00 C ATOM 93 OD1 ASP A 6 -4.127 -1.168 0.058 1.00 0.00 O ATOM 94 OD2 ASP A 6 -2.943 -1.378 1.897 1.00 0.00 O ATOM 0 H ASP A 6 -3.381 3.270 1.295 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.246 1.375 0.392 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.807 1.157 0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.599 1.070 1.868 1.00 0.00 H new ATOM 99 N ASP A 7 -4.604 1.125 3.634 1.00 0.00 N ATOM 100 CA ASP A 7 -5.160 0.672 4.904 1.00 0.00 C ATOM 101 C ASP A 7 -6.344 1.540 5.319 1.00 0.00 C ATOM 102 O ASP A 7 -7.211 1.103 6.076 1.00 0.00 O ATOM 103 CB ASP A 7 -4.087 0.698 5.994 1.00 0.00 C ATOM 104 CG ASP A 7 -2.993 -0.324 5.753 1.00 0.00 C ATOM 105 OD1 ASP A 7 -2.216 -0.145 4.793 1.00 0.00 O ATOM 106 OD2 ASP A 7 -2.916 -1.303 6.525 1.00 0.00 O ATOM 0 H ASP A 7 -3.654 1.490 3.696 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.510 -0.352 4.774 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.646 1.694 6.042 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.551 0.508 6.962 1.00 0.00 H new ATOM 111 N ILE A 8 -6.373 2.771 4.819 1.00 0.00 N ATOM 112 CA ILE A 8 -7.451 3.700 5.138 1.00 0.00 C ATOM 113 C ILE A 8 -8.731 3.331 4.397 1.00 0.00 C ATOM 114 O ILE A 8 -9.824 3.375 4.962 1.00 0.00 O ATOM 115 CB ILE A 8 -7.067 5.149 4.786 1.00 0.00 C ATOM 116 CG1 ILE A 8 -6.264 5.778 5.927 1.00 0.00 C ATOM 117 CG2 ILE A 8 -8.313 5.971 4.493 1.00 0.00 C ATOM 118 CD1 ILE A 8 -5.746 7.163 5.609 1.00 0.00 C ATOM 0 H ILE A 8 -5.663 3.148 4.192 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.622 3.629 6.212 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.444 5.137 3.891 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.891 5.829 6.817 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.421 5.130 6.168 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.025 6.993 4.246 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.849 5.532 3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.959 5.978 5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.187 7.547 6.462 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.092 7.116 4.738 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.585 7.826 5.397 1.00 0.00 H new ATOM 130 N LYS A 9 -8.589 2.965 3.127 1.00 0.00 N ATOM 131 CA LYS A 9 -9.734 2.584 2.308 1.00 0.00 C ATOM 132 C LYS A 9 -10.274 1.221 2.726 1.00 0.00 C ATOM 133 O LYS A 9 -11.431 0.893 2.465 1.00 0.00 O ATOM 134 CB LYS A 9 -9.341 2.557 0.829 1.00 0.00 C ATOM 135 CG LYS A 9 -8.738 1.236 0.384 1.00 0.00 C ATOM 136 CD LYS A 9 -7.621 1.444 -0.624 1.00 0.00 C ATOM 137 CE LYS A 9 -8.145 1.416 -2.052 1.00 0.00 C ATOM 138 NZ LYS A 9 -8.478 2.780 -2.548 1.00 0.00 N ATOM 0 H LYS A 9 -7.692 2.924 2.643 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.518 3.326 2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.223 2.767 0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.625 3.356 0.637 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.351 0.701 1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.515 0.611 -0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.131 2.399 -0.434 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.866 0.668 -0.497 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.397 0.965 -2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.033 0.785 -2.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.831 2.718 -3.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.210 3.201 -1.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.625 3.375 -2.526 1.00 0.00 H new ATOM 152 N LYS A 10 -9.429 0.430 3.379 1.00 0.00 N ATOM 153 CA LYS A 10 -9.821 -0.898 3.837 1.00 0.00 C ATOM 154 C LYS A 10 -10.630 -0.811 5.127 1.00 0.00 C ATOM 155 O LYS A 10 -11.649 -1.485 5.279 1.00 0.00 O ATOM 156 CB LYS A 10 -8.583 -1.771 4.057 1.00 0.00 C ATOM 157 CG LYS A 10 -8.625 -2.571 5.347 1.00 0.00 C ATOM 158 CD LYS A 10 -7.394 -3.450 5.497 1.00 0.00 C ATOM 159 CE LYS A 10 -7.475 -4.679 4.606 1.00 0.00 C ATOM 160 NZ LYS A 10 -6.222 -4.883 3.827 1.00 0.00 N ATOM 0 H LYS A 10 -8.467 0.686 3.603 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.445 -1.351 3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.479 -2.457 3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.697 -1.136 4.062 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.694 -1.891 6.196 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.521 -3.192 5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.503 -2.875 5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.291 -3.759 6.537 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.669 -5.559 5.219 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.316 -4.576 3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.317 -5.731 3.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.050 -4.054 3.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.423 -5.007 4.481 1.00 0.00 H new ATOM 174 N ILE A 11 -10.170 0.024 6.053 1.00 0.00 N ATOM 175 CA ILE A 11 -10.853 0.200 7.329 1.00 0.00 C ATOM 176 C ILE A 11 -12.218 0.852 7.137 1.00 0.00 C ATOM 177 O ILE A 11 -13.195 0.474 7.785 1.00 0.00 O ATOM 178 CB ILE A 11 -10.020 1.057 8.300 1.00 0.00 C ATOM 179 CG1 ILE A 11 -9.628 2.380 7.639 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.782 0.296 8.750 1.00 0.00 C ATOM 181 CD1 ILE A 11 -8.724 3.239 8.495 1.00 0.00 C ATOM 0 H ILE A 11 -9.328 0.589 5.944 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.985 -0.794 7.756 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.626 1.277 9.179 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.128 2.170 6.694 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.532 2.941 7.403 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.204 0.915 9.436 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.083 -0.622 9.255 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.171 0.049 7.882 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.487 4.160 7.963 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.229 3.480 9.430 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.803 2.697 8.709 1.00 0.00 H new ATOM 193 N ILE A 12 -12.279 1.831 6.240 1.00 0.00 N ATOM 194 CA ILE A 12 -13.525 2.533 5.960 1.00 0.00 C ATOM 195 C ILE A 12 -14.465 1.673 5.121 1.00 0.00 C ATOM 196 O ILE A 12 -15.686 1.770 5.242 1.00 0.00 O ATOM 197 CB ILE A 12 -13.270 3.862 5.224 1.00 0.00 C ATOM 198 CG1 ILE A 12 -12.743 3.595 3.813 1.00 0.00 C ATOM 199 CG2 ILE A 12 -12.289 4.721 6.008 1.00 0.00 C ATOM 200 CD1 ILE A 12 -12.478 4.855 3.019 1.00 0.00 C ATOM 0 H ILE A 12 -11.480 2.156 5.695 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.991 2.744 6.923 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.213 4.403 5.143 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.821 3.018 3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -13.465 2.981 3.274 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -12.119 5.657 5.476 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.700 4.935 6.995 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.344 4.188 6.116 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.107 4.590 2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -13.403 5.423 2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.734 5.461 3.536 1.00 0.00 H new ATOM 212 N SER A 13 -13.886 0.829 4.273 1.00 0.00 N ATOM 213 CA SER A 13 -14.671 -0.048 3.412 1.00 0.00 C ATOM 214 C SER A 13 -15.453 -1.063 4.240 1.00 0.00 C ATOM 215 O SER A 13 -16.609 -1.366 3.943 1.00 0.00 O ATOM 216 CB SER A 13 -13.759 -0.774 2.421 1.00 0.00 C ATOM 217 OG SER A 13 -14.409 -1.904 1.864 1.00 0.00 O ATOM 0 H SER A 13 -12.876 0.734 4.164 1.00 0.00 H new ATOM 0 HA SER A 13 -15.381 0.567 2.858 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.465 -0.090 1.625 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.845 -1.088 2.925 1.00 0.00 H new ATOM 0 HG SER A 13 -13.806 -2.350 1.233 1.00 0.00 H new ATOM 223 N LYS A 14 -14.814 -1.587 5.280 1.00 0.00 N ATOM 224 CA LYS A 14 -15.448 -2.568 6.153 1.00 0.00 C ATOM 225 C LYS A 14 -16.227 -1.879 7.269 1.00 0.00 C ATOM 226 O LYS A 14 -17.182 -2.439 7.807 1.00 0.00 O ATOM 227 CB LYS A 14 -14.395 -3.502 6.754 1.00 0.00 C ATOM 228 CG LYS A 14 -14.985 -4.642 7.566 1.00 0.00 C ATOM 229 CD LYS A 14 -14.991 -4.323 9.052 1.00 0.00 C ATOM 230 CE LYS A 14 -13.710 -4.789 9.727 1.00 0.00 C ATOM 231 NZ LYS A 14 -13.919 -6.037 10.511 1.00 0.00 N ATOM 0 H LYS A 14 -13.857 -1.349 5.539 1.00 0.00 H new ATOM 0 HA LYS A 14 -16.145 -3.154 5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.788 -3.917 5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.727 -2.921 7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.003 -4.840 7.231 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.410 -5.551 7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.108 -3.249 9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.848 -4.803 9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.943 -4.959 8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.340 -4.004 10.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.023 -6.322 10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.633 -5.868 11.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.247 -6.794 9.878 1.00 0.00 H new ATOM 245 N GLN A 15 -15.814 -0.663 7.611 1.00 0.00 N ATOM 246 CA GLN A 15 -16.475 0.101 8.662 1.00 0.00 C ATOM 247 C GLN A 15 -17.861 0.554 8.216 1.00 0.00 C ATOM 248 O GLN A 15 -18.874 0.120 8.765 1.00 0.00 O ATOM 249 CB GLN A 15 -15.628 1.314 9.049 1.00 0.00 C ATOM 250 CG GLN A 15 -16.335 2.273 9.994 1.00 0.00 C ATOM 251 CD GLN A 15 -17.096 1.556 11.091 1.00 0.00 C ATOM 252 OE1 GLN A 15 -16.580 0.629 11.717 1.00 0.00 O ATOM 253 NE2 GLN A 15 -18.331 1.981 11.331 1.00 0.00 N ATOM 0 H GLN A 15 -15.025 -0.186 7.175 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.587 -0.547 9.532 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -14.706 0.969 9.518 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.344 1.852 8.145 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -15.601 2.941 10.444 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -17.026 2.895 9.425 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -18.719 2.752 10.788 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -18.891 1.536 12.058 1.00 0.00 H new ATOM 262 N LEU A 16 -17.898 1.430 7.218 1.00 0.00 N ATOM 263 CA LEU A 16 -19.161 1.944 6.698 1.00 0.00 C ATOM 264 C LEU A 16 -19.623 1.132 5.492 1.00 0.00 C ATOM 265 O LEU A 16 -20.619 0.412 5.561 1.00 0.00 O ATOM 266 CB LEU A 16 -19.014 3.416 6.310 1.00 0.00 C ATOM 267 CG LEU A 16 -18.394 4.330 7.367 1.00 0.00 C ATOM 268 CD1 LEU A 16 -16.891 4.442 7.161 1.00 0.00 C ATOM 269 CD2 LEU A 16 -19.043 5.706 7.330 1.00 0.00 C ATOM 0 H LEU A 16 -17.069 1.799 6.753 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.912 1.855 7.483 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.406 3.474 5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -20.000 3.804 6.056 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.574 3.892 8.349 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.467 5.097 7.923 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.438 3.454 7.239 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.689 4.856 6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -18.589 6.343 8.089 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -18.895 6.152 6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.111 5.610 7.528 1.00 0.00 H new ATOM 281 N SER A 17 -18.892 1.252 4.389 1.00 0.00 N ATOM 282 CA SER A 17 -19.228 0.531 3.167 1.00 0.00 C ATOM 283 C SER A 17 -18.187 0.786 2.081 1.00 0.00 C ATOM 284 O SER A 17 -17.323 -0.052 1.824 1.00 0.00 O ATOM 285 CB SER A 17 -20.613 0.947 2.668 1.00 0.00 C ATOM 286 OG SER A 17 -21.617 0.082 3.171 1.00 0.00 O ATOM 0 H SER A 17 -18.063 1.842 4.316 1.00 0.00 H new ATOM 0 HA SER A 17 -19.236 -0.535 3.395 1.00 0.00 H new ATOM 0 HB2 SER A 17 -20.822 1.971 2.978 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.630 0.934 1.578 1.00 0.00 H new ATOM 0 HG SER A 17 -21.369 -0.219 4.070 1.00 0.00 H new ATOM 292 N VAL A 18 -18.275 1.952 1.448 1.00 0.00 N ATOM 293 CA VAL A 18 -17.341 2.320 0.390 1.00 0.00 C ATOM 294 C VAL A 18 -17.506 3.783 -0.004 1.00 0.00 C ATOM 295 O VAL A 18 -18.277 4.109 -0.907 1.00 0.00 O ATOM 296 CB VAL A 18 -17.531 1.438 -0.858 1.00 0.00 C ATOM 297 CG1 VAL A 18 -16.513 0.308 -0.874 1.00 0.00 C ATOM 298 CG2 VAL A 18 -18.949 0.890 -0.913 1.00 0.00 C ATOM 0 H VAL A 18 -18.983 2.658 1.649 1.00 0.00 H new ATOM 0 HA VAL A 18 -16.337 2.165 0.785 1.00 0.00 H new ATOM 0 HB VAL A 18 -17.369 2.053 -1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -16.663 -0.304 -1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -15.506 0.725 -0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -16.639 -0.308 0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -19.065 0.269 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -19.142 0.290 -0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.657 1.717 -0.954 1.00 0.00 H new ATOM 308 N GLU A 19 -16.777 4.660 0.678 1.00 0.00 N ATOM 309 CA GLU A 19 -16.844 6.090 0.398 1.00 0.00 C ATOM 310 C GLU A 19 -15.448 6.706 0.376 1.00 0.00 C ATOM 311 O GLU A 19 -15.227 7.787 0.920 1.00 0.00 O ATOM 312 CB GLU A 19 -17.708 6.797 1.444 1.00 0.00 C ATOM 313 CG GLU A 19 -17.241 6.573 2.872 1.00 0.00 C ATOM 314 CD GLU A 19 -18.090 5.558 3.612 1.00 0.00 C ATOM 315 OE1 GLU A 19 -17.924 4.347 3.357 1.00 0.00 O ATOM 316 OE2 GLU A 19 -18.920 5.975 4.447 1.00 0.00 O ATOM 0 H GLU A 19 -16.134 4.406 1.428 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.296 6.221 -0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.713 7.867 1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.737 6.449 1.348 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.204 6.236 2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.263 7.521 3.410 1.00 0.00 H new ATOM 323 N GLU A 20 -14.510 6.008 -0.258 1.00 0.00 N ATOM 324 CA GLU A 20 -13.135 6.486 -0.349 1.00 0.00 C ATOM 325 C GLU A 20 -13.028 7.649 -1.331 1.00 0.00 C ATOM 326 O GLU A 20 -12.069 8.420 -1.294 1.00 0.00 O ATOM 327 CB GLU A 20 -12.206 5.351 -0.783 1.00 0.00 C ATOM 328 CG GLU A 20 -12.309 5.009 -2.260 1.00 0.00 C ATOM 329 CD GLU A 20 -11.240 5.690 -3.093 1.00 0.00 C ATOM 330 OE1 GLU A 20 -10.043 5.449 -2.833 1.00 0.00 O ATOM 331 OE2 GLU A 20 -11.602 6.463 -4.005 1.00 0.00 O ATOM 0 H GLU A 20 -14.677 5.112 -0.715 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.832 6.837 0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.177 5.628 -0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.435 4.461 -0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.229 3.929 -2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.292 5.301 -2.629 1.00 0.00 H new ATOM 338 N ASP A 21 -14.019 7.769 -2.208 1.00 0.00 N ATOM 339 CA ASP A 21 -14.037 8.837 -3.200 1.00 0.00 C ATOM 340 C ASP A 21 -14.828 10.038 -2.691 1.00 0.00 C ATOM 341 O ASP A 21 -15.544 10.691 -3.450 1.00 0.00 O ATOM 342 CB ASP A 21 -14.639 8.334 -4.513 1.00 0.00 C ATOM 343 CG ASP A 21 -14.211 9.167 -5.704 1.00 0.00 C ATOM 344 OD1 ASP A 21 -13.486 10.165 -5.501 1.00 0.00 O ATOM 345 OD2 ASP A 21 -14.599 8.822 -6.840 1.00 0.00 O ATOM 0 H ASP A 21 -14.820 7.139 -2.252 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.008 9.151 -3.378 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.341 7.298 -4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.726 8.345 -4.438 1.00 0.00 H new ATOM 350 N LYS A 22 -14.695 10.323 -1.400 1.00 0.00 N ATOM 351 CA LYS A 22 -15.396 11.445 -0.788 1.00 0.00 C ATOM 352 C LYS A 22 -14.978 11.619 0.669 1.00 0.00 C ATOM 353 O LYS A 22 -14.874 12.741 1.165 1.00 0.00 O ATOM 354 CB LYS A 22 -16.910 11.235 -0.873 1.00 0.00 C ATOM 355 CG LYS A 22 -17.407 10.056 -0.054 1.00 0.00 C ATOM 356 CD LYS A 22 -18.690 9.480 -0.629 1.00 0.00 C ATOM 357 CE LYS A 22 -19.802 10.517 -0.660 1.00 0.00 C ATOM 358 NZ LYS A 22 -21.138 9.905 -0.417 1.00 0.00 N ATOM 0 H LYS A 22 -14.108 9.792 -0.757 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.129 12.349 -1.335 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.414 12.140 -0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.190 11.086 -1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.640 9.282 -0.026 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.578 10.373 0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.505 9.113 -1.639 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -19.006 8.624 -0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.609 11.279 0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.803 11.019 -1.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -21.869 10.644 -0.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -21.334 9.196 -1.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -21.146 9.447 0.517 1.00 0.00 H new ATOM 372 N ILE A 23 -14.737 10.503 1.348 1.00 0.00 N ATOM 373 CA ILE A 23 -14.328 10.533 2.746 1.00 0.00 C ATOM 374 C ILE A 23 -12.977 11.222 2.909 1.00 0.00 C ATOM 375 O ILE A 23 -12.642 11.705 3.990 1.00 0.00 O ATOM 376 CB ILE A 23 -14.241 9.114 3.338 1.00 0.00 C ATOM 377 CG1 ILE A 23 -14.103 9.180 4.861 1.00 0.00 C ATOM 378 CG2 ILE A 23 -13.072 8.356 2.728 1.00 0.00 C ATOM 379 CD1 ILE A 23 -13.915 7.827 5.510 1.00 0.00 C ATOM 0 H ILE A 23 -14.818 9.566 0.952 1.00 0.00 H new ATOM 0 HA ILE A 23 -15.089 11.097 3.285 1.00 0.00 H new ATOM 0 HB ILE A 23 -15.160 8.580 3.098 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -13.255 9.816 5.114 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.992 9.654 5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.024 7.355 3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -13.209 8.283 1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.144 8.887 2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.824 7.951 6.589 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.774 7.194 5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.010 7.359 5.121 1.00 0.00 H new ATOM 391 N GLN A 24 -12.207 11.266 1.826 1.00 0.00 N ATOM 392 CA GLN A 24 -10.893 11.898 1.849 1.00 0.00 C ATOM 393 C GLN A 24 -10.906 13.208 1.068 1.00 0.00 C ATOM 394 O GLN A 24 -11.047 13.212 -0.154 1.00 0.00 O ATOM 395 CB GLN A 24 -9.840 10.954 1.266 1.00 0.00 C ATOM 396 CG GLN A 24 -8.775 10.539 2.268 1.00 0.00 C ATOM 397 CD GLN A 24 -8.615 9.035 2.361 1.00 0.00 C ATOM 398 OE1 GLN A 24 -9.728 8.330 2.533 1.00 0.00 O flip ATOM 399 NE2 GLN A 24 -7.504 8.510 2.279 1.00 0.00 N flip ATOM 0 H GLN A 24 -12.470 10.872 0.923 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.641 12.117 2.887 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.336 10.061 0.884 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.359 11.439 0.417 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.822 10.985 1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.032 10.934 3.251 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.675 9.089 2.147 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.413 7.496 2.343 1.00 0.00 H new ATOM 408 N MET A 25 -10.758 14.319 1.783 1.00 0.00 N ATOM 409 CA MET A 25 -10.752 15.636 1.157 1.00 0.00 C ATOM 410 C MET A 25 -9.436 16.359 1.425 1.00 0.00 C ATOM 411 O MET A 25 -9.254 17.506 1.020 1.00 0.00 O ATOM 412 CB MET A 25 -11.923 16.475 1.673 1.00 0.00 C ATOM 413 CG MET A 25 -13.246 16.152 0.998 1.00 0.00 C ATOM 414 SD MET A 25 -13.311 16.721 -0.712 1.00 0.00 S ATOM 415 CE MET A 25 -13.081 15.177 -1.591 1.00 0.00 C ATOM 0 H MET A 25 -10.641 14.333 2.796 1.00 0.00 H new ATOM 0 HA MET A 25 -10.859 15.500 0.081 1.00 0.00 H new ATOM 0 HB2 MET A 25 -12.025 16.320 2.747 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.697 17.531 1.524 1.00 0.00 H new ATOM 0 HG2 MET A 25 -13.409 15.075 1.025 1.00 0.00 H new ATOM 0 HG3 MET A 25 -14.058 16.612 1.561 1.00 0.00 H new ATOM 0 HE1 MET A 25 -13.723 15.160 -2.471 1.00 0.00 H new ATOM 0 HE2 MET A 25 -12.040 15.086 -1.900 1.00 0.00 H new ATOM 0 HE3 MET A 25 -13.340 14.344 -0.937 1.00 0.00 H new ATOM 425 N ASN A 26 -8.521 15.679 2.109 1.00 0.00 N ATOM 426 CA ASN A 26 -7.222 16.258 2.431 1.00 0.00 C ATOM 427 C ASN A 26 -7.363 17.368 3.469 1.00 0.00 C ATOM 428 O ASN A 26 -6.499 18.237 3.585 1.00 0.00 O ATOM 429 CB ASN A 26 -6.558 16.808 1.167 1.00 0.00 C ATOM 430 CG ASN A 26 -5.208 16.170 0.899 1.00 0.00 C ATOM 431 OD1 ASN A 26 -4.235 16.431 1.605 1.00 0.00 O ATOM 432 ND2 ASN A 26 -5.145 15.329 -0.127 1.00 0.00 N ATOM 0 H ASN A 26 -8.655 14.727 2.451 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.595 15.471 2.850 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.213 16.638 0.312 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.434 17.887 1.265 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.264 14.870 -0.357 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.978 15.142 -0.685 1.00 0.00 H new ATOM 439 N SER A 27 -8.458 17.330 4.222 1.00 0.00 N ATOM 440 CA SER A 27 -8.714 18.334 5.248 1.00 0.00 C ATOM 441 C SER A 27 -8.743 17.698 6.635 1.00 0.00 C ATOM 442 O SER A 27 -7.810 17.853 7.420 1.00 0.00 O ATOM 443 CB SER A 27 -10.039 19.048 4.974 1.00 0.00 C ATOM 444 OG SER A 27 -9.825 20.404 4.623 1.00 0.00 O ATOM 0 H SER A 27 -9.181 16.615 4.141 1.00 0.00 H new ATOM 0 HA SER A 27 -7.904 19.063 5.218 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.570 18.540 4.169 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.674 18.994 5.858 1.00 0.00 H new ATOM 0 HG SER A 27 -10.687 20.837 4.451 1.00 0.00 H new ATOM 450 N ASN A 28 -9.824 16.982 6.927 1.00 0.00 N ATOM 451 CA ASN A 28 -9.977 16.322 8.219 1.00 0.00 C ATOM 452 C ASN A 28 -10.916 15.124 8.110 1.00 0.00 C ATOM 453 O ASN A 28 -11.803 15.093 7.257 1.00 0.00 O ATOM 454 CB ASN A 28 -10.509 17.309 9.259 1.00 0.00 C ATOM 455 CG ASN A 28 -9.397 18.047 9.978 1.00 0.00 C ATOM 456 OD1 ASN A 28 -8.879 17.578 10.991 1.00 0.00 O ATOM 457 ND2 ASN A 28 -9.025 19.210 9.456 1.00 0.00 N ATOM 0 H ASN A 28 -10.606 16.844 6.287 1.00 0.00 H new ATOM 0 HA ASN A 28 -8.997 15.965 8.535 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.163 18.031 8.770 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.116 16.772 9.988 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.282 19.752 9.897 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.482 19.561 8.614 1.00 0.00 H new ATOM 464 N PHE A 29 -10.715 14.141 8.981 1.00 0.00 N ATOM 465 CA PHE A 29 -11.543 12.941 8.984 1.00 0.00 C ATOM 466 C PHE A 29 -12.647 13.044 10.032 1.00 0.00 C ATOM 467 O PHE A 29 -13.601 12.265 10.026 1.00 0.00 O ATOM 468 CB PHE A 29 -10.684 11.703 9.251 1.00 0.00 C ATOM 469 CG PHE A 29 -10.268 10.981 8.001 1.00 0.00 C ATOM 470 CD1 PHE A 29 -9.200 11.437 7.245 1.00 0.00 C ATOM 471 CD2 PHE A 29 -10.946 9.847 7.582 1.00 0.00 C ATOM 472 CE1 PHE A 29 -8.815 10.775 6.094 1.00 0.00 C ATOM 473 CE2 PHE A 29 -10.564 9.181 6.433 1.00 0.00 C ATOM 474 CZ PHE A 29 -9.498 9.646 5.687 1.00 0.00 C ATOM 0 H PHE A 29 -9.986 14.152 9.694 1.00 0.00 H new ATOM 0 HA PHE A 29 -12.007 12.848 8.002 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.792 12.001 9.803 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.239 11.016 9.890 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.662 12.320 7.558 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.782 9.480 8.160 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.981 11.141 5.514 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.099 8.297 6.118 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.200 9.128 4.788 1.00 0.00 H new ATOM 484 N THR A 30 -12.509 14.010 10.935 1.00 0.00 N ATOM 485 CA THR A 30 -13.492 14.215 11.991 1.00 0.00 C ATOM 486 C THR A 30 -14.065 15.627 11.943 1.00 0.00 C ATOM 487 O THR A 30 -14.941 15.980 12.733 1.00 0.00 O ATOM 488 CB THR A 30 -12.880 13.969 13.383 1.00 0.00 C ATOM 489 OG1 THR A 30 -13.801 14.374 14.402 1.00 0.00 O ATOM 490 CG2 THR A 30 -11.573 14.730 13.542 1.00 0.00 C ATOM 0 H THR A 30 -11.725 14.663 10.956 1.00 0.00 H new ATOM 0 HA THR A 30 -14.293 13.495 11.821 1.00 0.00 H new ATOM 0 HB THR A 30 -12.675 12.903 13.482 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.570 14.820 13.989 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.160 14.541 14.533 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.864 14.398 12.784 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.757 15.798 13.424 1.00 0.00 H new ATOM 498 N LYS A 31 -13.566 16.431 11.011 1.00 0.00 N ATOM 499 CA LYS A 31 -14.029 17.805 10.857 1.00 0.00 C ATOM 500 C LYS A 31 -14.645 18.021 9.478 1.00 0.00 C ATOM 501 O LYS A 31 -15.794 18.448 9.361 1.00 0.00 O ATOM 502 CB LYS A 31 -12.871 18.783 11.069 1.00 0.00 C ATOM 503 CG LYS A 31 -11.903 18.352 12.158 1.00 0.00 C ATOM 504 CD LYS A 31 -11.233 19.548 12.813 1.00 0.00 C ATOM 505 CE LYS A 31 -10.771 19.224 14.225 1.00 0.00 C ATOM 506 NZ LYS A 31 -10.756 20.432 15.095 1.00 0.00 N ATOM 0 H LYS A 31 -12.840 16.155 10.350 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.795 17.990 11.610 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.325 18.895 10.132 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.276 19.763 11.321 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.437 17.774 12.913 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.144 17.696 11.732 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.379 19.862 12.213 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.929 20.386 12.840 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.430 18.472 14.659 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.772 18.790 14.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.435 20.169 16.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.108 21.140 14.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.714 20.832 15.150 1.00 0.00 H new ATOM 520 N ASP A 32 -13.874 17.723 8.438 1.00 0.00 N ATOM 521 CA ASP A 32 -14.345 17.882 7.067 1.00 0.00 C ATOM 522 C ASP A 32 -15.736 17.280 6.897 1.00 0.00 C ATOM 523 O ASP A 32 -16.644 17.927 6.372 1.00 0.00 O ATOM 524 CB ASP A 32 -13.368 17.224 6.091 1.00 0.00 C ATOM 525 CG ASP A 32 -13.586 17.678 4.661 1.00 0.00 C ATOM 526 OD1 ASP A 32 -14.470 17.110 3.986 1.00 0.00 O ATOM 527 OD2 ASP A 32 -12.871 18.601 4.216 1.00 0.00 O ATOM 0 H ASP A 32 -12.920 17.370 8.518 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.402 18.949 6.849 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.346 17.457 6.391 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.478 16.141 6.146 1.00 0.00 H new ATOM 532 N LEU A 33 -15.897 16.040 7.344 1.00 0.00 N ATOM 533 CA LEU A 33 -17.179 15.350 7.241 1.00 0.00 C ATOM 534 C LEU A 33 -17.763 15.077 8.623 1.00 0.00 C ATOM 535 O LEU A 33 -18.976 14.947 8.781 1.00 0.00 O ATOM 536 CB LEU A 33 -17.012 14.036 6.476 1.00 0.00 C ATOM 537 CG LEU A 33 -15.684 13.305 6.678 1.00 0.00 C ATOM 538 CD1 LEU A 33 -15.654 12.619 8.035 1.00 0.00 C ATOM 539 CD2 LEU A 33 -15.456 12.296 5.562 1.00 0.00 C ATOM 0 H LEU A 33 -15.157 15.491 7.781 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.869 15.995 6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -17.821 13.365 6.766 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -17.133 14.240 5.412 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.878 14.038 6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.702 12.104 8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -15.771 13.364 8.822 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.468 11.897 8.096 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.506 11.785 5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -16.265 11.566 5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -15.433 12.813 4.603 1.00 0.00 H new ATOM 551 N GLY A 34 -16.890 14.993 9.623 1.00 0.00 N ATOM 552 CA GLY A 34 -17.339 14.738 10.980 1.00 0.00 C ATOM 553 C GLY A 34 -18.332 13.595 11.057 1.00 0.00 C ATOM 554 O GLY A 34 -19.440 13.760 11.567 1.00 0.00 O ATOM 0 H GLY A 34 -15.881 15.097 9.518 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.478 14.510 11.608 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.797 15.641 11.384 1.00 0.00 H new ATOM 558 N ALA A 35 -17.936 12.434 10.547 1.00 0.00 N ATOM 559 CA ALA A 35 -18.799 11.259 10.561 1.00 0.00 C ATOM 560 C ALA A 35 -19.344 10.995 11.961 1.00 0.00 C ATOM 561 O ALA A 35 -20.476 11.363 12.276 1.00 0.00 O ATOM 562 CB ALA A 35 -18.044 10.042 10.049 1.00 0.00 C ATOM 0 H ALA A 35 -17.023 12.282 10.119 1.00 0.00 H new ATOM 0 HA ALA A 35 -19.644 11.452 9.900 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -18.701 9.173 10.065 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -17.709 10.225 9.028 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -17.180 9.855 10.686 1.00 0.00 H new ATOM 568 N ASP A 36 -18.533 10.355 12.795 1.00 0.00 N ATOM 569 CA ASP A 36 -18.933 10.042 14.162 1.00 0.00 C ATOM 570 C ASP A 36 -17.848 9.244 14.877 1.00 0.00 C ATOM 571 O ASP A 36 -17.288 8.277 14.362 1.00 0.00 O ATOM 572 CB ASP A 36 -20.246 9.256 14.164 1.00 0.00 C ATOM 573 CG ASP A 36 -20.266 8.161 13.116 1.00 0.00 C ATOM 574 OD1 ASP A 36 -20.545 8.471 11.938 1.00 0.00 O ATOM 575 OD2 ASP A 36 -20.003 6.994 13.472 1.00 0.00 O ATOM 0 H ASP A 36 -17.594 10.042 12.549 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.079 10.981 14.696 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.401 8.815 15.149 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.076 9.940 13.987 1.00 0.00 H new ATOM 580 N SER A 37 -17.527 9.657 16.116 1.00 0.00 N ATOM 581 CA SER A 37 -16.504 9.053 17.000 1.00 0.00 C ATOM 582 C SER A 37 -16.480 7.518 16.918 1.00 0.00 C ATOM 583 O SER A 37 -15.422 6.888 16.884 1.00 0.00 O ATOM 584 CB SER A 37 -16.799 9.542 18.427 1.00 0.00 C ATOM 585 OG SER A 37 -18.043 9.026 18.902 1.00 0.00 O ATOM 0 H SER A 37 -17.991 10.455 16.551 1.00 0.00 H new ATOM 0 HA SER A 37 -15.510 9.365 16.681 1.00 0.00 H new ATOM 0 HB2 SER A 37 -15.995 9.232 19.094 1.00 0.00 H new ATOM 0 HB3 SER A 37 -16.824 10.632 18.443 1.00 0.00 H new ATOM 590 N LEU A 38 -17.671 6.931 16.889 1.00 0.00 N ATOM 591 CA LEU A 38 -17.808 5.481 16.813 1.00 0.00 C ATOM 592 C LEU A 38 -17.181 4.941 15.531 1.00 0.00 C ATOM 593 O LEU A 38 -16.372 4.013 15.568 1.00 0.00 O ATOM 594 CB LEU A 38 -19.284 5.084 16.877 1.00 0.00 C ATOM 595 CG LEU A 38 -20.139 5.843 17.893 1.00 0.00 C ATOM 596 CD1 LEU A 38 -20.907 6.966 17.213 1.00 0.00 C ATOM 597 CD2 LEU A 38 -21.095 4.893 18.600 1.00 0.00 C ATOM 0 H LEU A 38 -18.556 7.437 16.917 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.283 5.047 17.664 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -19.721 5.224 15.888 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.344 4.020 17.104 1.00 0.00 H new ATOM 0 HG LEU A 38 -19.477 6.284 18.639 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -21.509 7.494 17.952 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.204 7.661 16.754 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.558 6.548 16.445 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -21.696 5.450 19.319 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.750 4.424 17.866 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -20.525 4.124 19.121 1.00 0.00 H new ATOM 609 N ASP A 39 -17.557 5.529 14.401 1.00 0.00 N ATOM 610 CA ASP A 39 -17.028 5.109 13.108 1.00 0.00 C ATOM 611 C ASP A 39 -15.565 5.515 12.962 1.00 0.00 C ATOM 612 O ASP A 39 -14.710 4.690 12.636 1.00 0.00 O ATOM 613 CB ASP A 39 -17.855 5.717 11.974 1.00 0.00 C ATOM 614 CG ASP A 39 -19.153 4.969 11.739 1.00 0.00 C ATOM 615 OD1 ASP A 39 -19.690 4.393 12.708 1.00 0.00 O ATOM 616 OD2 ASP A 39 -19.631 4.959 10.585 1.00 0.00 O ATOM 0 H ASP A 39 -18.226 6.298 14.354 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.092 4.022 13.052 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.076 6.758 12.208 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.266 5.714 11.057 1.00 0.00 H new ATOM 621 N LEU A 40 -15.283 6.791 13.203 1.00 0.00 N ATOM 622 CA LEU A 40 -13.923 7.308 13.096 1.00 0.00 C ATOM 623 C LEU A 40 -12.949 6.445 13.892 1.00 0.00 C ATOM 624 O LEU A 40 -11.967 5.937 13.351 1.00 0.00 O ATOM 625 CB LEU A 40 -13.865 8.753 13.593 1.00 0.00 C ATOM 626 CG LEU A 40 -13.534 9.812 12.541 1.00 0.00 C ATOM 627 CD1 LEU A 40 -12.112 9.632 12.032 1.00 0.00 C ATOM 628 CD2 LEU A 40 -14.526 9.748 11.389 1.00 0.00 C ATOM 0 H LEU A 40 -15.978 7.487 13.474 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.631 7.280 12.046 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.828 9.002 14.039 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.121 8.813 14.387 1.00 0.00 H new ATOM 0 HG LEU A 40 -13.611 10.795 13.006 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.894 10.394 11.284 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.413 9.729 12.863 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.008 8.644 11.584 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -14.275 10.509 10.650 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -14.482 8.763 10.925 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.533 9.927 11.766 1.00 0.00 H new ATOM 640 N VAL A 41 -13.229 6.281 15.182 1.00 0.00 N ATOM 641 CA VAL A 41 -12.380 5.477 16.052 1.00 0.00 C ATOM 642 C VAL A 41 -12.364 4.018 15.609 1.00 0.00 C ATOM 643 O VAL A 41 -11.357 3.326 15.758 1.00 0.00 O ATOM 644 CB VAL A 41 -12.848 5.552 17.518 1.00 0.00 C ATOM 645 CG1 VAL A 41 -12.019 4.624 18.392 1.00 0.00 C ATOM 646 CG2 VAL A 41 -12.776 6.983 18.027 1.00 0.00 C ATOM 0 H VAL A 41 -14.037 6.695 15.647 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.373 5.887 15.978 1.00 0.00 H new ATOM 0 HB VAL A 41 -13.887 5.225 17.567 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -12.364 4.691 19.424 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -12.127 3.598 18.039 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.970 4.917 18.341 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.110 7.018 19.064 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -11.748 7.340 17.965 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.418 7.619 17.417 1.00 0.00 H new ATOM 656 N GLU A 42 -13.486 3.558 15.064 1.00 0.00 N ATOM 657 CA GLU A 42 -13.600 2.181 14.600 1.00 0.00 C ATOM 658 C GLU A 42 -12.582 1.892 13.499 1.00 0.00 C ATOM 659 O GLU A 42 -11.599 1.183 13.718 1.00 0.00 O ATOM 660 CB GLU A 42 -15.015 1.908 14.085 1.00 0.00 C ATOM 661 CG GLU A 42 -15.904 1.202 15.095 1.00 0.00 C ATOM 662 CD GLU A 42 -15.665 -0.295 15.136 1.00 0.00 C ATOM 663 OE1 GLU A 42 -15.535 -0.906 14.055 1.00 0.00 O ATOM 664 OE2 GLU A 42 -15.608 -0.856 16.251 1.00 0.00 O ATOM 0 H GLU A 42 -14.328 4.119 14.933 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.395 1.522 15.444 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -15.479 2.853 13.803 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.953 1.302 13.181 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.727 1.622 16.085 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.949 1.393 14.850 1.00 0.00 H new ATOM 671 N LEU A 43 -12.826 2.445 12.317 1.00 0.00 N ATOM 672 CA LEU A 43 -11.932 2.247 11.181 1.00 0.00 C ATOM 673 C LEU A 43 -10.479 2.476 11.585 1.00 0.00 C ATOM 674 O LEU A 43 -9.576 1.793 11.101 1.00 0.00 O ATOM 675 CB LEU A 43 -12.310 3.192 10.038 1.00 0.00 C ATOM 676 CG LEU A 43 -12.152 4.686 10.323 1.00 0.00 C ATOM 677 CD1 LEU A 43 -10.945 5.244 9.586 1.00 0.00 C ATOM 678 CD2 LEU A 43 -13.414 5.440 9.930 1.00 0.00 C ATOM 0 H LEU A 43 -13.635 3.034 12.119 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.038 1.216 10.843 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.701 2.942 9.170 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.348 3.002 9.764 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.992 4.818 11.393 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.848 6.308 9.800 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.045 4.724 9.915 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.075 5.100 8.513 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.284 6.502 10.140 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.604 5.301 8.866 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.259 5.058 10.503 1.00 0.00 H new ATOM 690 N ILE A 44 -10.262 3.438 12.475 1.00 0.00 N ATOM 691 CA ILE A 44 -8.920 3.753 12.946 1.00 0.00 C ATOM 692 C ILE A 44 -8.339 2.602 13.761 1.00 0.00 C ATOM 693 O ILE A 44 -7.226 2.146 13.502 1.00 0.00 O ATOM 694 CB ILE A 44 -8.911 5.031 13.806 1.00 0.00 C ATOM 695 CG1 ILE A 44 -9.133 6.264 12.927 1.00 0.00 C ATOM 696 CG2 ILE A 44 -7.599 5.147 14.568 1.00 0.00 C ATOM 697 CD1 ILE A 44 -9.499 7.506 13.710 1.00 0.00 C ATOM 0 H ILE A 44 -10.999 4.013 12.884 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.305 3.915 12.061 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.725 4.971 14.529 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.227 6.460 12.354 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.925 6.051 12.209 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.608 6.055 15.171 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.478 4.281 15.218 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.770 5.189 13.861 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.641 8.340 13.023 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.422 7.329 14.262 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.698 7.744 14.409 1.00 0.00 H new ATOM 709 N MET A 45 -9.101 2.137 14.745 1.00 0.00 N ATOM 710 CA MET A 45 -8.662 1.037 15.596 1.00 0.00 C ATOM 711 C MET A 45 -8.194 -0.147 14.756 1.00 0.00 C ATOM 712 O MET A 45 -7.304 -0.894 15.161 1.00 0.00 O ATOM 713 CB MET A 45 -9.796 0.601 16.526 1.00 0.00 C ATOM 714 CG MET A 45 -10.546 -0.627 16.036 1.00 0.00 C ATOM 715 SD MET A 45 -12.087 -0.902 16.930 1.00 0.00 S ATOM 716 CE MET A 45 -12.573 -2.501 16.284 1.00 0.00 C ATOM 0 H MET A 45 -10.025 2.504 14.973 1.00 0.00 H new ATOM 0 HA MET A 45 -7.823 1.387 16.197 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.385 0.395 17.515 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.500 1.426 16.639 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.762 -0.516 14.973 1.00 0.00 H new ATOM 0 HG3 MET A 45 -9.908 -1.504 16.142 1.00 0.00 H new ATOM 0 HE1 MET A 45 -13.512 -2.809 16.743 1.00 0.00 H new ATOM 0 HE2 MET A 45 -12.702 -2.433 15.204 1.00 0.00 H new ATOM 0 HE3 MET A 45 -11.800 -3.235 16.512 1.00 0.00 H new ATOM 726 N ALA A 46 -8.800 -0.311 13.584 1.00 0.00 N ATOM 727 CA ALA A 46 -8.443 -1.403 12.687 1.00 0.00 C ATOM 728 C ALA A 46 -7.138 -1.109 11.955 1.00 0.00 C ATOM 729 O ALA A 46 -6.289 -1.988 11.800 1.00 0.00 O ATOM 730 CB ALA A 46 -9.564 -1.654 11.689 1.00 0.00 C ATOM 0 H ALA A 46 -9.540 0.298 13.234 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.298 -2.301 13.288 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.284 -2.472 11.025 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.476 -1.917 12.225 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.736 -0.753 11.101 1.00 0.00 H new ATOM 736 N LEU A 47 -6.983 0.132 11.507 1.00 0.00 N ATOM 737 CA LEU A 47 -5.781 0.543 10.791 1.00 0.00 C ATOM 738 C LEU A 47 -4.529 0.239 11.608 1.00 0.00 C ATOM 739 O LEU A 47 -3.543 -0.274 11.082 1.00 0.00 O ATOM 740 CB LEU A 47 -5.842 2.036 10.466 1.00 0.00 C ATOM 741 CG LEU A 47 -5.237 2.457 9.126 1.00 0.00 C ATOM 742 CD1 LEU A 47 -5.247 3.972 8.988 1.00 0.00 C ATOM 743 CD2 LEU A 47 -3.821 1.916 8.986 1.00 0.00 C ATOM 0 H LEU A 47 -7.675 0.871 11.627 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.731 -0.023 9.861 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.886 2.349 10.485 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.331 2.581 11.260 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.846 2.036 8.326 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.813 4.253 8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.273 4.336 9.042 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.662 4.415 9.794 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.406 2.225 8.027 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.201 2.307 9.792 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.841 0.827 9.039 1.00 0.00 H new ATOM 755 N GLU A 48 -4.580 0.557 12.898 1.00 0.00 N ATOM 756 CA GLU A 48 -3.450 0.316 13.788 1.00 0.00 C ATOM 757 C GLU A 48 -3.317 -1.170 14.109 1.00 0.00 C ATOM 758 O GLU A 48 -2.212 -1.708 14.156 1.00 0.00 O ATOM 759 CB GLU A 48 -3.611 1.117 15.082 1.00 0.00 C ATOM 760 CG GLU A 48 -4.871 0.771 15.858 1.00 0.00 C ATOM 761 CD GLU A 48 -5.097 1.691 17.042 1.00 0.00 C ATOM 762 OE1 GLU A 48 -4.485 1.453 18.104 1.00 0.00 O ATOM 763 OE2 GLU A 48 -5.887 2.649 16.906 1.00 0.00 O ATOM 0 H GLU A 48 -5.390 0.981 13.349 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.543 0.642 13.278 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.743 0.943 15.718 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.622 2.180 14.842 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.731 0.826 15.191 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.806 -0.259 16.210 1.00 0.00 H new ATOM 770 N GLU A 49 -4.453 -1.825 14.331 1.00 0.00 N ATOM 771 CA GLU A 49 -4.464 -3.247 14.649 1.00 0.00 C ATOM 772 C GLU A 49 -3.875 -4.066 13.504 1.00 0.00 C ATOM 773 O GLU A 49 -3.456 -5.208 13.692 1.00 0.00 O ATOM 774 CB GLU A 49 -5.890 -3.716 14.945 1.00 0.00 C ATOM 775 CG GLU A 49 -5.955 -5.064 15.643 1.00 0.00 C ATOM 776 CD GLU A 49 -6.753 -6.088 14.861 1.00 0.00 C ATOM 777 OE1 GLU A 49 -7.948 -5.837 14.600 1.00 0.00 O ATOM 778 OE2 GLU A 49 -6.182 -7.141 14.509 1.00 0.00 O ATOM 0 H GLU A 49 -5.376 -1.393 14.296 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.848 -3.399 15.535 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.387 -2.971 15.566 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.446 -3.774 14.009 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.943 -5.438 15.797 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.401 -4.937 16.629 1.00 0.00 H new ATOM 785 N LYS A 50 -3.846 -3.473 12.315 1.00 0.00 N ATOM 786 CA LYS A 50 -3.309 -4.145 11.138 1.00 0.00 C ATOM 787 C LYS A 50 -1.833 -3.809 10.946 1.00 0.00 C ATOM 788 O LYS A 50 -1.039 -4.661 10.548 1.00 0.00 O ATOM 789 CB LYS A 50 -4.100 -3.744 9.891 1.00 0.00 C ATOM 790 CG LYS A 50 -3.509 -4.278 8.597 1.00 0.00 C ATOM 791 CD LYS A 50 -4.562 -4.967 7.746 1.00 0.00 C ATOM 792 CE LYS A 50 -4.513 -6.478 7.913 1.00 0.00 C ATOM 793 NZ LYS A 50 -5.036 -7.186 6.712 1.00 0.00 N ATOM 0 H LYS A 50 -4.188 -2.528 12.141 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.403 -5.220 11.290 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.124 -4.105 9.989 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.149 -2.656 9.836 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.064 -3.458 8.034 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.707 -4.980 8.825 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.551 -4.601 8.022 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.409 -4.711 6.698 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.485 -6.790 8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.097 -6.766 8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.986 -8.213 6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.025 -6.908 6.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.463 -6.931 5.882 1.00 0.00 H new ATOM 807 N PHE A 51 -1.473 -2.562 11.233 1.00 0.00 N ATOM 808 CA PHE A 51 -0.092 -2.114 11.092 1.00 0.00 C ATOM 809 C PHE A 51 0.735 -2.511 12.312 1.00 0.00 C ATOM 810 O PHE A 51 1.957 -2.365 12.320 1.00 0.00 O ATOM 811 CB PHE A 51 -0.043 -0.597 10.900 1.00 0.00 C ATOM 812 CG PHE A 51 0.277 -0.181 9.493 1.00 0.00 C ATOM 813 CD1 PHE A 51 -0.382 -0.758 8.419 1.00 0.00 C ATOM 814 CD2 PHE A 51 1.236 0.787 9.244 1.00 0.00 C ATOM 815 CE1 PHE A 51 -0.089 -0.377 7.123 1.00 0.00 C ATOM 816 CE2 PHE A 51 1.533 1.172 7.950 1.00 0.00 C ATOM 817 CZ PHE A 51 0.869 0.590 6.888 1.00 0.00 C ATOM 0 H PHE A 51 -2.118 -1.844 11.564 1.00 0.00 H new ATOM 0 HA PHE A 51 0.333 -2.598 10.213 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.005 -0.171 11.186 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.705 -0.178 11.573 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.133 -1.514 8.597 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.758 1.246 10.071 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.609 -0.835 6.295 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.284 1.927 7.770 1.00 0.00 H new ATOM 0 HZ PHE A 51 1.098 0.890 5.876 1.00 0.00 H new ATOM 827 N ASN A 52 0.059 -3.013 13.340 1.00 0.00 N ATOM 828 CA ASN A 52 0.731 -3.430 14.566 1.00 0.00 C ATOM 829 C ASN A 52 1.336 -2.230 15.289 1.00 0.00 C ATOM 830 O ASN A 52 2.513 -2.238 15.648 1.00 0.00 O ATOM 831 CB ASN A 52 1.823 -4.454 14.251 1.00 0.00 C ATOM 832 CG ASN A 52 2.281 -5.208 15.484 1.00 0.00 C ATOM 833 OD1 ASN A 52 1.951 -4.838 16.610 1.00 0.00 O ATOM 834 ND2 ASN A 52 3.046 -6.273 15.275 1.00 0.00 N ATOM 0 H ASN A 52 -0.953 -3.141 13.349 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.011 -3.890 15.219 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.450 -5.163 13.512 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.676 -3.945 13.802 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.385 -6.821 16.066 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.295 -6.543 14.323 1.00 0.00 H new ATOM 841 N VAL A 53 0.522 -1.201 15.500 1.00 0.00 N ATOM 842 CA VAL A 53 0.976 0.005 16.182 1.00 0.00 C ATOM 843 C VAL A 53 0.093 0.322 17.384 1.00 0.00 C ATOM 844 O VAL A 53 -0.821 -0.434 17.714 1.00 0.00 O ATOM 845 CB VAL A 53 0.985 1.218 15.232 1.00 0.00 C ATOM 846 CG1 VAL A 53 2.403 1.528 14.776 1.00 0.00 C ATOM 847 CG2 VAL A 53 0.076 0.966 14.038 1.00 0.00 C ATOM 0 H VAL A 53 -0.455 -1.178 15.209 1.00 0.00 H new ATOM 0 HA VAL A 53 1.993 -0.188 16.522 1.00 0.00 H new ATOM 0 HB VAL A 53 0.605 2.084 15.773 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.390 2.387 14.106 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.023 1.754 15.644 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.813 0.665 14.251 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.094 1.833 13.377 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.425 0.088 13.494 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.943 0.796 14.386 1.00 0.00 H new ATOM 857 N THR A 54 0.373 1.446 18.036 1.00 0.00 N ATOM 858 CA THR A 54 -0.395 1.864 19.203 1.00 0.00 C ATOM 859 C THR A 54 -0.732 3.349 19.136 1.00 0.00 C ATOM 860 O THR A 54 -0.193 4.152 19.899 1.00 0.00 O ATOM 861 CB THR A 54 0.370 1.581 20.509 1.00 0.00 C ATOM 862 OG1 THR A 54 -0.355 2.109 21.626 1.00 0.00 O ATOM 863 CG2 THR A 54 1.761 2.194 20.466 1.00 0.00 C ATOM 0 H THR A 54 1.126 2.083 17.776 1.00 0.00 H new ATOM 0 HA THR A 54 -1.318 1.284 19.198 1.00 0.00 H new ATOM 0 HB THR A 54 0.470 0.501 20.618 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.255 3.084 21.650 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.282 1.981 21.400 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.321 1.768 19.633 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.679 3.273 20.335 1.00 0.00 H new ATOM 871 N ILE A 55 -1.625 3.708 18.220 1.00 0.00 N ATOM 872 CA ILE A 55 -2.034 5.097 18.057 1.00 0.00 C ATOM 873 C ILE A 55 -3.457 5.314 18.562 1.00 0.00 C ATOM 874 O ILE A 55 -4.272 4.392 18.567 1.00 0.00 O ATOM 875 CB ILE A 55 -1.952 5.539 16.583 1.00 0.00 C ATOM 876 CG1 ILE A 55 -0.856 4.758 15.855 1.00 0.00 C ATOM 877 CG2 ILE A 55 -1.693 7.035 16.493 1.00 0.00 C ATOM 878 CD1 ILE A 55 -1.376 3.570 15.076 1.00 0.00 C ATOM 0 H ILE A 55 -2.079 3.056 17.580 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.345 5.700 18.648 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.906 5.326 16.101 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.335 5.430 15.173 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.123 4.412 16.584 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.638 7.332 15.446 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.505 7.575 16.981 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.751 7.272 16.988 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.544 3.064 14.586 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.872 2.878 15.756 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.087 3.911 14.324 1.00 0.00 H new ATOM 890 N SER A 56 -3.748 6.541 18.984 1.00 0.00 N ATOM 891 CA SER A 56 -5.072 6.879 19.493 1.00 0.00 C ATOM 892 C SER A 56 -5.248 8.392 19.587 1.00 0.00 C ATOM 893 O SER A 56 -5.933 9.000 18.765 1.00 0.00 O ATOM 894 CB SER A 56 -5.292 6.243 20.867 1.00 0.00 C ATOM 895 OG SER A 56 -4.150 6.403 21.691 1.00 0.00 O ATOM 0 H SER A 56 -3.085 7.316 18.983 1.00 0.00 H new ATOM 0 HA SER A 56 -5.813 6.486 18.796 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.158 6.698 21.348 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.514 5.182 20.749 1.00 0.00 H new ATOM 0 HG SER A 56 -4.316 5.990 22.564 1.00 0.00 H new ATOM 901 N ASP A 57 -4.624 8.992 20.594 1.00 0.00 N ATOM 902 CA ASP A 57 -4.709 10.433 20.797 1.00 0.00 C ATOM 903 C ASP A 57 -4.148 11.185 19.593 1.00 0.00 C ATOM 904 O ASP A 57 -4.425 12.370 19.406 1.00 0.00 O ATOM 905 CB ASP A 57 -3.954 10.838 22.063 1.00 0.00 C ATOM 906 CG ASP A 57 -4.863 10.940 23.272 1.00 0.00 C ATOM 907 OD1 ASP A 57 -5.473 12.011 23.466 1.00 0.00 O ATOM 908 OD2 ASP A 57 -4.964 9.948 24.025 1.00 0.00 O ATOM 0 H ASP A 57 -4.053 8.502 21.283 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.760 10.697 20.911 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.169 10.109 22.263 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.464 11.798 21.899 1.00 0.00 H new ATOM 913 N GLN A 58 -3.359 10.489 18.782 1.00 0.00 N ATOM 914 CA GLN A 58 -2.758 11.092 17.598 1.00 0.00 C ATOM 915 C GLN A 58 -3.497 10.663 16.335 1.00 0.00 C ATOM 916 O GLN A 58 -3.773 11.482 15.458 1.00 0.00 O ATOM 917 CB GLN A 58 -1.282 10.704 17.496 1.00 0.00 C ATOM 918 CG GLN A 58 -0.454 11.141 18.694 1.00 0.00 C ATOM 919 CD GLN A 58 -0.111 9.988 19.617 1.00 0.00 C ATOM 920 OE1 GLN A 58 0.905 9.315 19.438 1.00 0.00 O ATOM 921 NE2 GLN A 58 -0.957 9.755 20.613 1.00 0.00 N ATOM 0 H GLN A 58 -3.121 9.507 18.923 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.836 12.175 17.693 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.206 9.622 17.387 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.860 11.145 16.593 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.467 11.608 18.344 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.003 11.899 19.253 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.787 10.338 20.724 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.777 8.993 21.267 1.00 0.00 H new ATOM 930 N ASP A 59 -3.814 9.376 16.249 1.00 0.00 N ATOM 931 CA ASP A 59 -4.522 8.839 15.092 1.00 0.00 C ATOM 932 C ASP A 59 -5.771 9.661 14.789 1.00 0.00 C ATOM 933 O ASP A 59 -6.211 9.739 13.643 1.00 0.00 O ATOM 934 CB ASP A 59 -4.905 7.378 15.335 1.00 0.00 C ATOM 935 CG ASP A 59 -4.749 6.525 14.092 1.00 0.00 C ATOM 936 OD1 ASP A 59 -5.587 6.654 13.174 1.00 0.00 O ATOM 937 OD2 ASP A 59 -3.790 5.727 14.037 1.00 0.00 O ATOM 0 H ASP A 59 -3.592 8.685 16.966 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.855 8.894 14.231 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.284 6.970 16.132 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.938 7.329 15.679 1.00 0.00 H new ATOM 942 N ALA A 60 -6.336 10.273 15.825 1.00 0.00 N ATOM 943 CA ALA A 60 -7.533 11.090 15.669 1.00 0.00 C ATOM 944 C ALA A 60 -7.196 12.449 15.065 1.00 0.00 C ATOM 945 O ALA A 60 -7.975 13.006 14.291 1.00 0.00 O ATOM 946 CB ALA A 60 -8.231 11.264 17.010 1.00 0.00 C ATOM 0 H ALA A 60 -5.984 10.218 16.781 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.208 10.576 14.985 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.123 11.876 16.879 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.515 10.287 17.402 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.555 11.753 17.711 1.00 0.00 H new ATOM 952 N LEU A 61 -6.031 12.977 15.424 1.00 0.00 N ATOM 953 CA LEU A 61 -5.590 14.272 14.918 1.00 0.00 C ATOM 954 C LEU A 61 -4.303 14.132 14.112 1.00 0.00 C ATOM 955 O LEU A 61 -3.389 14.948 14.234 1.00 0.00 O ATOM 956 CB LEU A 61 -5.377 15.249 16.075 1.00 0.00 C ATOM 957 CG LEU A 61 -4.475 14.759 17.209 1.00 0.00 C ATOM 958 CD1 LEU A 61 -3.091 15.379 17.096 1.00 0.00 C ATOM 959 CD2 LEU A 61 -5.096 15.080 18.561 1.00 0.00 C ATOM 0 H LEU A 61 -5.375 12.528 16.063 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.368 14.661 14.261 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.954 16.170 15.674 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.351 15.502 16.495 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.374 13.677 17.125 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.463 15.019 17.911 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.644 15.099 16.142 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.173 16.464 17.153 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.441 14.724 19.356 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.227 16.158 18.654 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.065 14.588 18.642 1.00 0.00 H new ATOM 971 N LYS A 62 -4.238 13.094 13.285 1.00 0.00 N ATOM 972 CA LYS A 62 -3.065 12.847 12.455 1.00 0.00 C ATOM 973 C LYS A 62 -3.473 12.460 11.038 1.00 0.00 C ATOM 974 O LYS A 62 -3.142 13.153 10.075 1.00 0.00 O ATOM 975 CB LYS A 62 -2.203 11.742 13.070 1.00 0.00 C ATOM 976 CG LYS A 62 -0.859 11.568 12.385 1.00 0.00 C ATOM 977 CD LYS A 62 0.258 11.360 13.394 1.00 0.00 C ATOM 978 CE LYS A 62 0.033 10.107 14.226 1.00 0.00 C ATOM 979 NZ LYS A 62 1.083 9.936 15.268 1.00 0.00 N ATOM 0 H LYS A 62 -4.985 12.409 13.172 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.484 13.768 12.407 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.038 11.965 14.124 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.749 10.800 13.026 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.902 10.715 11.708 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.643 12.447 11.777 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.212 11.285 12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.322 12.227 14.051 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.946 10.159 14.702 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.024 9.234 13.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.668 9.486 16.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.847 9.337 14.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.468 10.866 15.529 1.00 0.00 H new ATOM 993 N ILE A 63 -4.194 11.351 10.917 1.00 0.00 N ATOM 994 CA ILE A 63 -4.649 10.874 9.617 1.00 0.00 C ATOM 995 C ILE A 63 -5.722 11.792 9.039 1.00 0.00 C ATOM 996 O ILE A 63 -6.093 11.671 7.873 1.00 0.00 O ATOM 997 CB ILE A 63 -5.209 9.442 9.707 1.00 0.00 C ATOM 998 CG1 ILE A 63 -4.108 8.466 10.125 1.00 0.00 C ATOM 999 CG2 ILE A 63 -5.816 9.026 8.375 1.00 0.00 C ATOM 1000 CD1 ILE A 63 -3.897 8.398 11.621 1.00 0.00 C ATOM 0 H ILE A 63 -4.476 10.766 11.703 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.780 10.875 8.959 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.993 9.421 10.464 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.356 7.471 9.756 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.173 8.759 9.647 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.207 8.012 8.454 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.626 9.708 8.115 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.050 9.060 7.600 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.102 7.687 11.844 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.618 9.383 11.994 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.819 8.075 12.104 1.00 0.00 H new ATOM 1012 N ASN A 64 -6.214 12.710 9.864 1.00 0.00 N ATOM 1013 CA ASN A 64 -7.243 13.650 9.435 1.00 0.00 C ATOM 1014 C ASN A 64 -6.913 14.229 8.062 1.00 0.00 C ATOM 1015 O ASN A 64 -7.805 14.493 7.256 1.00 0.00 O ATOM 1016 CB ASN A 64 -7.388 14.780 10.456 1.00 0.00 C ATOM 1017 CG ASN A 64 -6.256 15.785 10.371 1.00 0.00 C ATOM 1018 OD1 ASN A 64 -5.025 15.299 10.475 1.00 0.00 O flip ATOM 1019 ND2 ASN A 64 -6.486 16.985 10.213 1.00 0.00 N flip ATOM 0 H ASN A 64 -5.917 12.823 10.833 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.187 13.110 9.364 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.337 15.291 10.295 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.420 14.357 11.460 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.448 17.314 10.138 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.714 17.649 10.157 1.00 0.00 H new ATOM 1026 N THR A 65 -5.624 14.423 7.803 1.00 0.00 N ATOM 1027 CA THR A 65 -5.175 14.971 6.529 1.00 0.00 C ATOM 1028 C THR A 65 -4.398 13.933 5.727 1.00 0.00 C ATOM 1029 O THR A 65 -3.416 13.369 6.210 1.00 0.00 O ATOM 1030 CB THR A 65 -4.289 16.214 6.733 1.00 0.00 C ATOM 1031 OG1 THR A 65 -2.944 15.815 7.024 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.822 17.079 7.864 1.00 0.00 C ATOM 0 H THR A 65 -4.872 14.209 8.458 1.00 0.00 H new ATOM 0 HA THR A 65 -6.069 15.258 5.976 1.00 0.00 H new ATOM 0 HB THR A 65 -4.303 16.798 5.813 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.335 16.560 6.839 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.180 17.951 7.989 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.834 17.405 7.626 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.834 16.502 8.789 1.00 0.00 H new ATOM 1040 N VAL A 66 -4.843 13.685 4.499 1.00 0.00 N ATOM 1041 CA VAL A 66 -4.187 12.716 3.630 1.00 0.00 C ATOM 1042 C VAL A 66 -2.670 12.805 3.752 1.00 0.00 C ATOM 1043 O VAL A 66 -1.980 11.787 3.783 1.00 0.00 O ATOM 1044 CB VAL A 66 -4.586 12.924 2.157 1.00 0.00 C ATOM 1045 CG1 VAL A 66 -3.927 11.877 1.272 1.00 0.00 C ATOM 1046 CG2 VAL A 66 -6.099 12.887 2.004 1.00 0.00 C ATOM 0 H VAL A 66 -5.655 14.142 4.084 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.516 11.728 3.952 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.236 13.906 1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.221 12.040 0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.843 11.957 1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.244 10.883 1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.363 13.036 0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.475 11.920 2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.545 13.678 2.606 1.00 0.00 H new ATOM 1056 N GLN A 67 -2.159 14.030 3.821 1.00 0.00 N ATOM 1057 CA GLN A 67 -0.723 14.252 3.940 1.00 0.00 C ATOM 1058 C GLN A 67 -0.188 13.672 5.246 1.00 0.00 C ATOM 1059 O GLN A 67 0.649 12.770 5.239 1.00 0.00 O ATOM 1060 CB GLN A 67 -0.408 15.747 3.866 1.00 0.00 C ATOM 1061 CG GLN A 67 1.032 16.084 4.214 1.00 0.00 C ATOM 1062 CD GLN A 67 2.027 15.455 3.259 1.00 0.00 C ATOM 1063 OE1 GLN A 67 2.278 15.978 2.173 1.00 0.00 O ATOM 1064 NE2 GLN A 67 2.599 14.325 3.658 1.00 0.00 N ATOM 0 H GLN A 67 -2.718 14.883 3.797 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.233 13.743 3.110 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.623 16.106 2.859 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.072 16.283 4.544 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.160 17.166 4.205 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.245 15.747 5.228 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.362 13.926 4.566 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.276 13.856 3.056 1.00 0.00 H new ATOM 1073 N ASP A 68 -0.677 14.197 6.364 1.00 0.00 N ATOM 1074 CA ASP A 68 -0.250 13.731 7.678 1.00 0.00 C ATOM 1075 C ASP A 68 -0.493 12.233 7.829 1.00 0.00 C ATOM 1076 O ASP A 68 0.234 11.545 8.545 1.00 0.00 O ATOM 1077 CB ASP A 68 -0.989 14.494 8.779 1.00 0.00 C ATOM 1078 CG ASP A 68 -0.573 15.950 8.853 1.00 0.00 C ATOM 1079 OD1 ASP A 68 0.615 16.241 8.601 1.00 0.00 O ATOM 1080 OD2 ASP A 68 -1.435 16.799 9.163 1.00 0.00 O ATOM 0 H ASP A 68 -1.369 14.946 6.387 1.00 0.00 H new ATOM 0 HA ASP A 68 0.820 13.918 7.772 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.063 14.434 8.601 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.798 14.015 9.740 1.00 0.00 H new ATOM 1085 N ALA A 69 -1.522 11.735 7.151 1.00 0.00 N ATOM 1086 CA ALA A 69 -1.861 10.318 7.209 1.00 0.00 C ATOM 1087 C ALA A 69 -0.683 9.453 6.773 1.00 0.00 C ATOM 1088 O ALA A 69 -0.115 8.711 7.575 1.00 0.00 O ATOM 1089 CB ALA A 69 -3.078 10.031 6.343 1.00 0.00 C ATOM 0 H ALA A 69 -2.135 12.292 6.555 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.098 10.068 8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.320 8.969 6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.926 10.615 6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.862 10.303 5.310 1.00 0.00 H new ATOM 1095 N ILE A 70 -0.322 9.554 5.499 1.00 0.00 N ATOM 1096 CA ILE A 70 0.789 8.780 4.957 1.00 0.00 C ATOM 1097 C ILE A 70 2.078 9.058 5.724 1.00 0.00 C ATOM 1098 O ILE A 70 2.981 8.222 5.763 1.00 0.00 O ATOM 1099 CB ILE A 70 1.016 9.090 3.466 1.00 0.00 C ATOM 1100 CG1 ILE A 70 2.313 8.439 2.979 1.00 0.00 C ATOM 1101 CG2 ILE A 70 1.053 10.593 3.236 1.00 0.00 C ATOM 1102 CD1 ILE A 70 3.516 9.351 3.065 1.00 0.00 C ATOM 0 H ILE A 70 -0.782 10.163 4.823 1.00 0.00 H new ATOM 0 HA ILE A 70 0.524 7.728 5.065 1.00 0.00 H new ATOM 0 HB ILE A 70 0.186 8.676 2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.504 7.543 3.569 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.183 8.119 1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.214 10.795 2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.106 11.032 3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.865 11.030 3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.399 8.824 2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.346 10.236 2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.672 9.651 4.101 1.00 0.00 H new ATOM 1114 N ASP A 71 2.155 10.235 6.334 1.00 0.00 N ATOM 1115 CA ASP A 71 3.331 10.623 7.103 1.00 0.00 C ATOM 1116 C ASP A 71 3.371 9.891 8.441 1.00 0.00 C ATOM 1117 O ASP A 71 4.439 9.697 9.023 1.00 0.00 O ATOM 1118 CB ASP A 71 3.341 12.135 7.335 1.00 0.00 C ATOM 1119 CG ASP A 71 4.616 12.788 6.838 1.00 0.00 C ATOM 1120 OD1 ASP A 71 4.857 12.762 5.613 1.00 0.00 O ATOM 1121 OD2 ASP A 71 5.372 13.325 7.675 1.00 0.00 O ATOM 0 H ASP A 71 1.416 10.938 6.311 1.00 0.00 H new ATOM 0 HA ASP A 71 4.216 10.346 6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.486 12.583 6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.224 12.337 8.400 1.00 0.00 H new ATOM 1126 N TYR A 72 2.202 9.487 8.924 1.00 0.00 N ATOM 1127 CA TYR A 72 2.102 8.779 10.195 1.00 0.00 C ATOM 1128 C TYR A 72 2.455 7.305 10.026 1.00 0.00 C ATOM 1129 O TYR A 72 3.131 6.717 10.871 1.00 0.00 O ATOM 1130 CB TYR A 72 0.691 8.915 10.769 1.00 0.00 C ATOM 1131 CG TYR A 72 0.015 7.589 11.033 1.00 0.00 C ATOM 1132 CD1 TYR A 72 0.342 6.831 12.151 1.00 0.00 C ATOM 1133 CD2 TYR A 72 -0.950 7.093 10.166 1.00 0.00 C ATOM 1134 CE1 TYR A 72 -0.272 5.618 12.396 1.00 0.00 C ATOM 1135 CE2 TYR A 72 -1.571 5.882 10.404 1.00 0.00 C ATOM 1136 CZ TYR A 72 -1.229 5.148 11.520 1.00 0.00 C ATOM 1137 OH TYR A 72 -1.844 3.941 11.761 1.00 0.00 O ATOM 0 H TYR A 72 1.309 9.638 8.454 1.00 0.00 H new ATOM 0 HA TYR A 72 2.813 9.227 10.889 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.739 9.480 11.700 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.080 9.493 10.076 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.089 7.197 12.840 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.220 7.664 9.290 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.004 5.041 13.269 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.320 5.512 9.720 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.645 3.865 11.202 1.00 0.00 H new ATOM 1147 N ILE A 73 1.994 6.714 8.929 1.00 0.00 N ATOM 1148 CA ILE A 73 2.262 5.309 8.648 1.00 0.00 C ATOM 1149 C ILE A 73 3.739 5.081 8.346 1.00 0.00 C ATOM 1150 O ILE A 73 4.295 4.035 8.678 1.00 0.00 O ATOM 1151 CB ILE A 73 1.422 4.802 7.460 1.00 0.00 C ATOM 1152 CG1 ILE A 73 1.794 5.561 6.185 1.00 0.00 C ATOM 1153 CG2 ILE A 73 -0.062 4.952 7.759 1.00 0.00 C ATOM 1154 CD1 ILE A 73 1.098 5.040 4.947 1.00 0.00 C ATOM 0 H ILE A 73 1.433 7.186 8.220 1.00 0.00 H new ATOM 0 HA ILE A 73 1.986 4.750 9.542 1.00 0.00 H new ATOM 0 HB ILE A 73 1.636 3.744 7.306 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.548 6.615 6.314 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.872 5.502 6.038 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.643 4.590 6.911 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.315 4.371 8.646 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.293 6.003 7.935 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.409 5.625 4.081 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.364 3.994 4.793 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.019 5.125 5.073 1.00 0.00 H new ATOM 1166 N GLU A 74 4.368 6.068 7.717 1.00 0.00 N ATOM 1167 CA GLU A 74 5.782 5.975 7.372 1.00 0.00 C ATOM 1168 C GLU A 74 6.659 6.324 8.571 1.00 0.00 C ATOM 1169 O GLU A 74 7.744 5.769 8.744 1.00 0.00 O ATOM 1170 CB GLU A 74 6.106 6.905 6.201 1.00 0.00 C ATOM 1171 CG GLU A 74 5.822 8.369 6.489 1.00 0.00 C ATOM 1172 CD GLU A 74 7.009 9.083 7.107 1.00 0.00 C ATOM 1173 OE1 GLU A 74 8.058 8.433 7.298 1.00 0.00 O ATOM 1174 OE2 GLU A 74 6.888 10.291 7.399 1.00 0.00 O ATOM 0 H GLU A 74 3.921 6.941 7.436 1.00 0.00 H new ATOM 0 HA GLU A 74 5.991 4.946 7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.158 6.793 5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.526 6.596 5.331 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.543 8.870 5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.967 8.444 7.161 1.00 0.00 H new ATOM 1181 N LYS A 75 6.181 7.250 9.396 1.00 0.00 N ATOM 1182 CA LYS A 75 6.919 7.674 10.580 1.00 0.00 C ATOM 1183 C LYS A 75 7.000 6.547 11.604 1.00 0.00 C ATOM 1184 O LYS A 75 7.989 6.422 12.326 1.00 0.00 O ATOM 1185 CB LYS A 75 6.255 8.902 11.207 1.00 0.00 C ATOM 1186 CG LYS A 75 6.409 8.972 12.717 1.00 0.00 C ATOM 1187 CD LYS A 75 5.294 8.222 13.427 1.00 0.00 C ATOM 1188 CE LYS A 75 4.518 9.134 14.364 1.00 0.00 C ATOM 1189 NZ LYS A 75 3.994 10.337 13.660 1.00 0.00 N ATOM 0 H LYS A 75 5.286 7.721 9.266 1.00 0.00 H new ATOM 0 HA LYS A 75 7.932 7.934 10.272 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.683 9.802 10.764 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.194 8.898 10.958 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.372 8.551 13.005 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.408 10.014 13.036 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.615 7.794 12.690 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.716 7.391 13.993 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.688 8.581 14.804 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.164 9.446 15.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.191 10.729 14.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.745 11.053 13.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.679 10.071 12.705 1.00 0.00 H new ATOM 1203 N ASN A 76 5.954 5.729 11.661 1.00 0.00 N ATOM 1204 CA ASN A 76 5.908 4.612 12.597 1.00 0.00 C ATOM 1205 C ASN A 76 5.948 3.279 11.855 1.00 0.00 C ATOM 1206 O ASN A 76 6.935 2.547 11.926 1.00 0.00 O ATOM 1207 CB ASN A 76 4.645 4.692 13.457 1.00 0.00 C ATOM 1208 CG ASN A 76 4.930 5.202 14.856 1.00 0.00 C ATOM 1209 OD1 ASN A 76 4.112 6.138 15.322 1.00 0.00 O flip ATOM 1210 ND2 ASN A 76 5.874 4.759 15.510 1.00 0.00 N flip ATOM 0 H ASN A 76 5.127 5.819 11.070 1.00 0.00 H new ATOM 0 HA ASN A 76 6.784 4.675 13.243 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.921 5.348 12.974 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.188 3.704 13.519 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.477 4.039 15.112 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.053 5.111 16.450 1.00 0.00 H new ATOM 1217 N ASN A 77 4.868 2.971 11.144 1.00 0.00 N ATOM 1218 CA ASN A 77 4.780 1.726 10.389 1.00 0.00 C ATOM 1219 C ASN A 77 4.629 0.531 11.326 1.00 0.00 C ATOM 1220 O ASN A 77 3.570 -0.093 11.388 1.00 0.00 O ATOM 1221 CB ASN A 77 6.021 1.548 9.513 1.00 0.00 C ATOM 1222 CG ASN A 77 5.728 0.764 8.248 1.00 0.00 C ATOM 1223 OD1 ASN A 77 6.403 -0.219 7.943 1.00 0.00 O ATOM 1224 ND2 ASN A 77 4.717 1.198 7.504 1.00 0.00 N ATOM 0 H ASN A 77 4.042 3.566 11.075 1.00 0.00 H new ATOM 0 HA ASN A 77 3.898 1.778 9.751 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.418 2.528 9.246 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.795 1.035 10.084 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.473 0.712 6.641 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.184 2.018 7.795 1.00 0.00 H new ATOM 1231 N LYS A 78 5.695 0.219 12.054 1.00 0.00 N ATOM 1232 CA LYS A 78 5.683 -0.899 12.990 1.00 0.00 C ATOM 1233 C LYS A 78 7.044 -1.066 13.656 1.00 0.00 C ATOM 1234 O LYS A 78 7.133 -1.481 14.812 1.00 0.00 O ATOM 1235 CB LYS A 78 5.295 -2.191 12.267 1.00 0.00 C ATOM 1236 CG LYS A 78 6.011 -2.385 10.942 1.00 0.00 C ATOM 1237 CD LYS A 78 6.238 -3.857 10.641 1.00 0.00 C ATOM 1238 CE LYS A 78 7.005 -4.049 9.342 1.00 0.00 C ATOM 1239 NZ LYS A 78 8.242 -4.853 9.541 1.00 0.00 N ATOM 0 H LYS A 78 6.580 0.725 12.014 1.00 0.00 H new ATOM 0 HA LYS A 78 4.944 -0.686 13.763 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.512 -3.040 12.916 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.219 -2.191 12.092 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.424 -1.935 10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.969 -1.866 10.966 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.789 -4.316 11.461 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.278 -4.368 10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.364 -4.543 8.612 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.268 -3.075 8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.736 -4.961 8.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.865 -4.369 10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.990 -5.791 9.912 1.00 0.00 H new ATOM 1253 N GLN A 79 8.102 -0.739 12.921 1.00 0.00 N ATOM 1254 CA GLN A 79 9.459 -0.853 13.443 1.00 0.00 C ATOM 1255 C GLN A 79 9.753 -2.281 13.890 1.00 0.00 C ATOM 1256 O GLN A 79 10.894 -2.623 14.201 1.00 0.00 O ATOM 1257 CB GLN A 79 9.661 0.112 14.613 1.00 0.00 C ATOM 1258 CG GLN A 79 10.591 1.271 14.293 1.00 0.00 C ATOM 1259 CD GLN A 79 10.014 2.612 14.699 1.00 0.00 C ATOM 1260 OE1 GLN A 79 10.256 3.096 15.805 1.00 0.00 O ATOM 1261 NE2 GLN A 79 9.245 3.222 13.805 1.00 0.00 N ATOM 0 H GLN A 79 8.046 -0.393 11.963 1.00 0.00 H new ATOM 0 HA GLN A 79 10.152 -0.593 12.643 1.00 0.00 H new ATOM 0 HB2 GLN A 79 8.692 0.508 14.918 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.061 -0.440 15.463 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.542 1.120 14.803 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.801 1.279 13.223 1.00 0.00 H new ATOM 0 HE21 GLN A 79 9.070 2.785 12.900 1.00 0.00 H new ATOM 0 HE22 GLN A 79 8.829 4.127 14.023 1.00 0.00 H new TER 1270 GLN A 79 HETATM 1271 P24 PNS A 137 -18.887 9.771 20.050 1.00 0.00 P HETATM 1272 O25 PNS A 137 -19.698 8.605 20.817 1.00 0.00 O HETATM 1273 O26 PNS A 137 -18.064 10.591 20.966 1.00 0.00 O HETATM 1274 O27 PNS A 137 -19.998 10.614 19.244 1.00 0.00 O HETATM 1275 C28 PNS A 137 -19.808 11.992 18.905 1.00 0.00 C HETATM 1276 C29 PNS A 137 -20.846 12.533 17.900 1.00 0.00 C HETATM 1277 C30 PNS A 137 -22.260 12.235 18.434 1.00 0.00 C HETATM 1278 C31 PNS A 137 -20.636 11.791 16.563 1.00 0.00 C HETATM 1279 C32 PNS A 137 -20.582 14.049 17.735 1.00 0.00 C HETATM 1280 O33 PNS A 137 -20.800 14.746 18.967 1.00 0.00 O HETATM 1281 C34 PNS A 137 -21.420 14.772 16.649 1.00 0.00 C HETATM 1282 O35 PNS A 137 -22.512 14.337 16.273 1.00 0.00 O HETATM 1283 N36 PNS A 137 -20.949 15.909 16.119 1.00 0.00 N HETATM 1284 C37 PNS A 137 -19.691 16.589 16.484 1.00 0.00 C HETATM 1285 C38 PNS A 137 -19.720 18.014 15.922 1.00 0.00 C HETATM 1286 C39 PNS A 137 -18.559 18.865 16.483 1.00 0.00 C HETATM 1287 O40 PNS A 137 -18.598 19.209 17.665 1.00 0.00 O HETATM 1288 N41 PNS A 137 -17.541 19.202 15.680 1.00 0.00 N HETATM 1289 C42 PNS A 137 -17.375 18.870 14.250 1.00 0.00 C HETATM 1290 C43 PNS A 137 -16.035 19.403 13.742 1.00 0.00 C HETATM 1291 S44 PNS A 137 -15.892 21.229 13.816 1.00 0.00 S HETATM 0 H432 PNS A 137 -15.231 18.960 14.331 1.00 0.00 H new HETATM 0 H431 PNS A 137 -15.892 19.078 12.712 1.00 0.00 H new HETATM 0 H422 PNS A 137 -18.191 19.302 13.671 1.00 0.00 H new HETATM 0 H421 PNS A 137 -17.422 17.790 14.111 1.00 0.00 H new HETATM 0 H382 PNS A 137 -20.671 18.485 16.170 1.00 0.00 H new HETATM 0 H381 PNS A 137 -19.655 17.979 14.834 1.00 0.00 H new HETATM 0 H372 PNS A 137 -18.837 16.043 16.084 1.00 0.00 H new HETATM 0 H371 PNS A 137 -19.575 16.613 17.568 1.00 0.00 H new HETATM 0 H313 PNS A 137 -21.357 12.152 15.829 1.00 0.00 H new HETATM 0 H312 PNS A 137 -20.778 10.721 16.715 1.00 0.00 H new HETATM 0 H311 PNS A 137 -19.625 11.975 16.199 1.00 0.00 H new HETATM 0 H303 PNS A 137 -23.002 12.614 17.731 1.00 0.00 H new HETATM 0 H302 PNS A 137 -22.394 12.722 19.400 1.00 0.00 H new HETATM 0 H301 PNS A 137 -22.386 11.158 18.550 1.00 0.00 H new HETATM 0 H282 PNS A 137 -18.810 12.120 18.487 1.00 0.00 H new HETATM 0 H281 PNS A 137 -19.851 12.590 19.815 1.00 0.00 H new HETATM 0 H44 PNS A 137 -14.726 21.591 13.369 1.00 0.00 H new HETATM 0 H41 PNS A 137 -16.794 19.751 16.105 1.00 0.00 H new HETATM 0 H36 PNS A 137 -21.515 16.347 15.392 1.00 0.00 H new HETATM 0 H33 PNS A 137 -21.676 15.184 18.945 1.00 0.00 H new HETATM 0 H32 PNS A 137 -19.541 14.081 17.414 1.00 0.00 H new