USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 609 hydrogens (37 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 NoAdj-H: A 18 ASNHD21 : A 18 ASN ND2 : A 78 NAG C1 :(H bumps) USER MOD Set 1.1: A 37 ASN : amide:sc= -0.909 K(o=-9.7,f=-13!) USER MOD Set 1.2: A 70 ASN : amide:sc= -8.8! C(o=-9.7!,f=-14!) USER MOD Set 2.1: A 48 ASN : amide:sc= -1.65 K(o=-1.1,f=0.34) USER MOD Set 2.2: A 52 THR OG1 : rot 92:sc= 0.592 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.417 K(o=-0.42,f=-3.3!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -2.18! C(o=-2.2!,f=-9.1!) USER MOD Single : A 8 ASN : amide:sc= -1.92! C(o=-1.9!,f=-6!) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.359 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.278 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.673 USER MOD Single : A 30 LYS NZ :NH3+ -156:sc= -0.0265 (180deg=-0.633) USER MOD Single : A 34 GLN : amide:sc= -1.04 K(o=-1,f=-2.6!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -1.44! K(o=-1.4!,f=-0.61) USER MOD Single : A 46 ASN : amide:sc= -2.77 K(o=-2.8,f=-3.6!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.51 USER MOD Single : A 57 ASN : amide:sc= -0.671 K(o=-0.67,f=-0.12) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 150:sc= -1.04 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc=-0.00745 X(o=-0.0075,f=-0.38) USER MOD Single : A 74 GLN : amide:sc= -2.83 K(o=-2.8,f=1.4e-05) USER MOD Single : A 77 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.17) USER MOD Single : A 78 NAG O3 : rot 20:sc= 0.827 USER MOD Single : A 79 NAG O3 : rot 147:sc= 0.00934 USER MOD Single : A 79 NAG O4 : rot 140:sc= -0.0401 USER MOD Single : A 79 NAG O6 : rot 180:sc= 0 USER MOD Single : A 80 FUC O2 : rot 28:sc= 0.0375 USER MOD Single : A 80 FUC O3 : rot -92:sc= 0.00698 USER MOD Single : A 80 FUC O4 : rot -89:sc= -0.0145 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.893 -12.035 -5.370 1.00 0.00 N ATOM 2 CA LEU A 1 4.046 -10.670 -5.947 1.00 0.00 C ATOM 3 C LEU A 1 4.544 -9.711 -4.864 1.00 0.00 C ATOM 4 O LEU A 1 3.839 -9.393 -3.927 1.00 0.00 O ATOM 5 CB LEU A 1 2.695 -10.186 -6.479 1.00 0.00 C ATOM 6 CG LEU A 1 2.705 -10.236 -8.008 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.327 -10.665 -8.513 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.042 -8.850 -8.561 1.00 0.00 C ATOM 0 H1 LEU A 1 3.554 -12.687 -6.106 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.812 -12.365 -5.011 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.206 -12.007 -4.590 1.00 0.00 H new ATOM 0 HA LEU A 1 4.767 -10.699 -6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 1 1.892 -10.812 -6.089 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.501 -9.169 -6.138 1.00 0.00 H new ATOM 0 HG LEU A 1 3.454 -10.953 -8.343 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.334 -10.701 -9.602 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.086 -11.652 -8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.577 -9.948 -8.178 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.049 -8.885 -9.650 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.293 -8.133 -8.226 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.024 -8.544 -8.201 1.00 0.00 H new ATOM 22 N GLN A 2 5.757 -9.249 -4.988 1.00 0.00 N ATOM 23 CA GLN A 2 6.309 -8.311 -3.970 1.00 0.00 C ATOM 24 C GLN A 2 5.885 -6.883 -4.306 1.00 0.00 C ATOM 25 O GLN A 2 5.487 -6.586 -5.414 1.00 0.00 O ATOM 26 CB GLN A 2 7.837 -8.405 -3.972 1.00 0.00 C ATOM 27 CG GLN A 2 8.275 -9.601 -3.125 1.00 0.00 C ATOM 28 CD GLN A 2 8.998 -10.617 -4.010 1.00 0.00 C ATOM 29 OE1 GLN A 2 8.975 -10.512 -5.220 1.00 0.00 O ATOM 30 NE2 GLN A 2 9.643 -11.606 -3.453 1.00 0.00 N ATOM 0 H GLN A 2 6.392 -9.481 -5.752 1.00 0.00 H new ATOM 0 HA GLN A 2 5.927 -8.577 -2.984 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.204 -8.515 -4.992 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.269 -7.487 -3.575 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.933 -9.269 -2.322 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.407 -10.065 -2.655 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.662 -11.694 -2.437 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.128 -12.290 -4.034 1.00 0.00 H new ATOM 39 N CYS A 3 5.964 -6.000 -3.353 1.00 0.00 N ATOM 40 CA CYS A 3 5.564 -4.587 -3.609 1.00 0.00 C ATOM 41 C CYS A 3 6.191 -3.674 -2.552 1.00 0.00 C ATOM 42 O CYS A 3 6.722 -4.132 -1.558 1.00 0.00 O ATOM 43 CB CYS A 3 4.042 -4.469 -3.543 1.00 0.00 C ATOM 44 SG CYS A 3 3.328 -4.924 -5.143 1.00 0.00 S ATOM 0 H CYS A 3 6.289 -6.194 -2.406 1.00 0.00 H new ATOM 0 HA CYS A 3 5.912 -4.287 -4.598 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.650 -5.119 -2.761 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.757 -3.450 -3.283 1.00 0.00 H new ATOM 49 N TYR A 4 6.135 -2.385 -2.757 1.00 0.00 N ATOM 50 CA TYR A 4 6.725 -1.444 -1.764 1.00 0.00 C ATOM 51 C TYR A 4 5.666 -1.077 -0.722 1.00 0.00 C ATOM 52 O TYR A 4 4.862 -0.188 -0.926 1.00 0.00 O ATOM 53 CB TYR A 4 7.202 -0.176 -2.477 1.00 0.00 C ATOM 54 CG TYR A 4 8.327 -0.521 -3.423 1.00 0.00 C ATOM 55 CD1 TYR A 4 8.041 -0.949 -4.724 1.00 0.00 C ATOM 56 CD2 TYR A 4 9.656 -0.409 -2.999 1.00 0.00 C ATOM 57 CE1 TYR A 4 9.085 -1.267 -5.602 1.00 0.00 C ATOM 58 CE2 TYR A 4 10.701 -0.726 -3.876 1.00 0.00 C ATOM 59 CZ TYR A 4 10.415 -1.154 -5.179 1.00 0.00 C ATOM 60 OH TYR A 4 11.442 -1.466 -6.044 1.00 0.00 O ATOM 0 H TYR A 4 5.706 -1.944 -3.570 1.00 0.00 H new ATOM 0 HA TYR A 4 7.573 -1.920 -1.271 1.00 0.00 H new ATOM 0 HB2 TYR A 4 6.377 0.277 -3.027 1.00 0.00 H new ATOM 0 HB3 TYR A 4 7.540 0.559 -1.747 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.015 -1.034 -5.051 1.00 0.00 H new ATOM 0 HD2 TYR A 4 9.876 -0.078 -1.995 1.00 0.00 H new ATOM 0 HE1 TYR A 4 8.864 -1.599 -6.606 1.00 0.00 H new ATOM 0 HE2 TYR A 4 11.726 -0.641 -3.548 1.00 0.00 H new ATOM 0 HH TYR A 4 12.302 -1.332 -5.593 1.00 0.00 H new ATOM 70 N ASN A 5 5.656 -1.757 0.392 1.00 0.00 N ATOM 71 CA ASN A 5 4.646 -1.453 1.445 1.00 0.00 C ATOM 72 C ASN A 5 5.207 -0.407 2.412 1.00 0.00 C ATOM 73 O ASN A 5 6.340 -0.490 2.841 1.00 0.00 O ATOM 74 CB ASN A 5 4.319 -2.736 2.214 1.00 0.00 C ATOM 75 CG ASN A 5 3.383 -2.410 3.380 1.00 0.00 C ATOM 76 OD1 ASN A 5 2.915 -1.297 3.506 1.00 0.00 O ATOM 77 ND2 ASN A 5 3.089 -3.344 4.243 1.00 0.00 N ATOM 0 H ASN A 5 6.305 -2.511 0.619 1.00 0.00 H new ATOM 0 HA ASN A 5 3.741 -1.062 0.979 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.850 -3.461 1.549 1.00 0.00 H new ATOM 0 HB3 ASN A 5 5.236 -3.192 2.587 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.466 -3.139 5.024 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.483 -4.279 4.137 1.00 0.00 H new ATOM 84 N CYS A 6 4.420 0.576 2.759 1.00 0.00 N ATOM 85 CA CYS A 6 4.907 1.626 3.699 1.00 0.00 C ATOM 86 C CYS A 6 3.777 2.010 4.663 1.00 0.00 C ATOM 87 O CYS A 6 2.619 1.979 4.300 1.00 0.00 O ATOM 88 CB CYS A 6 5.343 2.860 2.907 1.00 0.00 C ATOM 89 SG CYS A 6 7.075 3.235 3.275 1.00 0.00 S ATOM 0 H CYS A 6 3.461 0.697 2.432 1.00 0.00 H new ATOM 0 HA CYS A 6 5.755 1.242 4.266 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.218 2.682 1.839 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.713 3.711 3.165 1.00 0.00 H new ATOM 94 N PRO A 7 4.153 2.355 5.868 1.00 0.00 N ATOM 95 CA PRO A 7 3.196 2.747 6.919 1.00 0.00 C ATOM 96 C PRO A 7 2.727 4.193 6.719 1.00 0.00 C ATOM 97 O PRO A 7 1.852 4.671 7.415 1.00 0.00 O ATOM 98 CB PRO A 7 4.008 2.617 8.209 1.00 0.00 C ATOM 99 CG PRO A 7 5.497 2.722 7.799 1.00 0.00 C ATOM 100 CD PRO A 7 5.566 2.384 6.297 1.00 0.00 C ATOM 0 HA PRO A 7 2.294 2.136 6.919 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.743 3.403 8.916 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.807 1.665 8.701 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.881 3.724 7.988 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.108 2.031 8.380 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.134 3.133 5.746 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.054 1.424 6.127 1.00 0.00 H new ATOM 108 N ASN A 8 3.302 4.896 5.781 1.00 0.00 N ATOM 109 CA ASN A 8 2.882 6.308 5.551 1.00 0.00 C ATOM 110 C ASN A 8 2.917 6.621 4.055 1.00 0.00 C ATOM 111 O ASN A 8 3.646 5.999 3.309 1.00 0.00 O ATOM 112 CB ASN A 8 3.834 7.251 6.291 1.00 0.00 C ATOM 113 CG ASN A 8 5.268 6.732 6.161 1.00 0.00 C ATOM 114 OD1 ASN A 8 5.546 5.595 6.486 1.00 0.00 O ATOM 115 ND2 ASN A 8 6.195 7.522 5.695 1.00 0.00 N ATOM 0 H ASN A 8 4.041 4.555 5.166 1.00 0.00 H new ATOM 0 HA ASN A 8 1.867 6.446 5.924 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.761 8.257 5.878 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.554 7.317 7.342 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.153 7.185 5.603 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.962 8.477 5.422 1.00 0.00 H new ATOM 122 N PRO A 9 2.120 7.582 3.662 1.00 0.00 N ATOM 123 CA PRO A 9 2.029 8.012 2.258 1.00 0.00 C ATOM 124 C PRO A 9 3.225 8.886 1.890 1.00 0.00 C ATOM 125 O PRO A 9 3.149 10.099 1.875 1.00 0.00 O ATOM 126 CB PRO A 9 0.725 8.809 2.207 1.00 0.00 C ATOM 127 CG PRO A 9 0.438 9.268 3.657 1.00 0.00 C ATOM 128 CD PRO A 9 1.239 8.331 4.582 1.00 0.00 C ATOM 0 HA PRO A 9 2.037 7.181 1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.819 9.666 1.540 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.091 8.195 1.825 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.739 10.306 3.802 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.628 9.212 3.877 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.816 8.893 5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.582 7.662 5.137 1.00 0.00 H new ATOM 136 N THR A 10 4.329 8.269 1.591 1.00 0.00 N ATOM 137 CA THR A 10 5.546 9.044 1.217 1.00 0.00 C ATOM 138 C THR A 10 5.755 8.965 -0.296 1.00 0.00 C ATOM 139 O THR A 10 5.029 8.287 -0.998 1.00 0.00 O ATOM 140 CB THR A 10 6.764 8.454 1.931 1.00 0.00 C ATOM 141 OG1 THR A 10 7.939 9.118 1.487 1.00 0.00 O ATOM 142 CG2 THR A 10 6.868 6.962 1.616 1.00 0.00 C ATOM 0 H THR A 10 4.445 7.256 1.589 1.00 0.00 H new ATOM 0 HA THR A 10 5.420 10.085 1.513 1.00 0.00 H new ATOM 0 HB THR A 10 6.656 8.589 3.007 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.720 8.742 1.945 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.736 6.542 2.125 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.966 6.454 1.958 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.976 6.824 0.540 1.00 0.00 H new ATOM 150 N ALA A 11 6.742 9.649 -0.807 1.00 0.00 N ATOM 151 CA ALA A 11 6.997 9.608 -2.275 1.00 0.00 C ATOM 152 C ALA A 11 8.382 9.007 -2.528 1.00 0.00 C ATOM 153 O ALA A 11 9.112 9.445 -3.395 1.00 0.00 O ATOM 154 CB ALA A 11 6.941 11.028 -2.844 1.00 0.00 C ATOM 0 H ALA A 11 7.383 10.234 -0.271 1.00 0.00 H new ATOM 0 HA ALA A 11 6.238 8.996 -2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.128 10.997 -3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.956 11.456 -2.659 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.700 11.644 -2.361 1.00 0.00 H new ATOM 160 N ASP A 12 8.748 8.005 -1.776 1.00 0.00 N ATOM 161 CA ASP A 12 10.083 7.372 -1.969 1.00 0.00 C ATOM 162 C ASP A 12 10.262 6.247 -0.946 1.00 0.00 C ATOM 163 O ASP A 12 11.271 6.159 -0.274 1.00 0.00 O ATOM 164 CB ASP A 12 11.179 8.421 -1.771 1.00 0.00 C ATOM 165 CG ASP A 12 12.135 8.394 -2.965 1.00 0.00 C ATOM 166 OD1 ASP A 12 12.483 7.306 -3.396 1.00 0.00 O ATOM 167 OD2 ASP A 12 12.502 9.461 -3.430 1.00 0.00 O ATOM 0 H ASP A 12 8.179 7.597 -1.035 1.00 0.00 H new ATOM 0 HA ASP A 12 10.151 6.963 -2.977 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.735 9.411 -1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.726 8.221 -0.849 1.00 0.00 H new ATOM 172 N CYS A 13 9.287 5.387 -0.823 1.00 0.00 N ATOM 173 CA CYS A 13 9.392 4.270 0.157 1.00 0.00 C ATOM 174 C CYS A 13 10.288 3.167 -0.413 1.00 0.00 C ATOM 175 O CYS A 13 10.217 2.835 -1.580 1.00 0.00 O ATOM 176 CB CYS A 13 7.998 3.701 0.430 1.00 0.00 C ATOM 177 SG CYS A 13 8.099 2.440 1.725 1.00 0.00 S ATOM 0 H CYS A 13 8.421 5.411 -1.361 1.00 0.00 H new ATOM 0 HA CYS A 13 9.824 4.643 1.086 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.322 4.499 0.738 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.586 3.268 -0.482 1.00 0.00 H new ATOM 182 N LYS A 14 11.129 2.595 0.405 1.00 0.00 N ATOM 183 CA LYS A 14 12.028 1.511 -0.081 1.00 0.00 C ATOM 184 C LYS A 14 11.873 0.290 0.827 1.00 0.00 C ATOM 185 O LYS A 14 12.806 -0.458 1.045 1.00 0.00 O ATOM 186 CB LYS A 14 13.480 1.995 -0.043 1.00 0.00 C ATOM 187 CG LYS A 14 13.934 2.362 -1.458 1.00 0.00 C ATOM 188 CD LYS A 14 15.462 2.313 -1.532 1.00 0.00 C ATOM 189 CE LYS A 14 15.981 3.565 -2.242 1.00 0.00 C ATOM 190 NZ LYS A 14 16.048 4.694 -1.272 1.00 0.00 N ATOM 0 H LYS A 14 11.232 2.833 1.392 1.00 0.00 H new ATOM 0 HA LYS A 14 11.764 1.245 -1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.569 2.860 0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.123 1.216 0.366 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.502 1.670 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.578 3.359 -1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.883 2.251 -0.529 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.782 1.419 -2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.968 3.374 -2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.324 3.824 -3.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.401 5.545 -1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.099 4.880 -0.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.691 4.445 -0.494 1.00 0.00 H new ATOM 204 N THR A 15 10.700 0.086 1.362 1.00 0.00 N ATOM 205 CA THR A 15 10.478 -1.081 2.262 1.00 0.00 C ATOM 206 C THR A 15 9.993 -2.279 1.443 1.00 0.00 C ATOM 207 O THR A 15 8.871 -2.723 1.584 1.00 0.00 O ATOM 208 CB THR A 15 9.424 -0.717 3.310 1.00 0.00 C ATOM 209 OG1 THR A 15 9.961 0.242 4.209 1.00 0.00 O ATOM 210 CG2 THR A 15 9.016 -1.972 4.084 1.00 0.00 C ATOM 0 H THR A 15 9.884 0.679 1.214 1.00 0.00 H new ATOM 0 HA THR A 15 11.413 -1.341 2.758 1.00 0.00 H new ATOM 0 HB THR A 15 8.549 -0.298 2.813 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.285 0.476 4.879 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.265 -1.711 4.830 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.602 -2.707 3.394 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.890 -2.393 4.581 1.00 0.00 H new ATOM 218 N ALA A 16 10.828 -2.806 0.590 1.00 0.00 N ATOM 219 CA ALA A 16 10.411 -3.976 -0.232 1.00 0.00 C ATOM 220 C ALA A 16 9.927 -5.099 0.687 1.00 0.00 C ATOM 221 O ALA A 16 10.574 -5.442 1.657 1.00 0.00 O ATOM 222 CB ALA A 16 11.600 -4.471 -1.057 1.00 0.00 C ATOM 0 H ALA A 16 11.780 -2.477 0.427 1.00 0.00 H new ATOM 0 HA ALA A 16 9.603 -3.679 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.294 -5.327 -1.658 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.946 -3.672 -1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.408 -4.767 -0.389 1.00 0.00 H new ATOM 228 N VAL A 17 8.792 -5.671 0.392 1.00 0.00 N ATOM 229 CA VAL A 17 8.267 -6.770 1.252 1.00 0.00 C ATOM 230 C VAL A 17 7.271 -7.610 0.455 1.00 0.00 C ATOM 231 O VAL A 17 6.654 -7.140 -0.481 1.00 0.00 O ATOM 232 CB VAL A 17 7.561 -6.171 2.468 1.00 0.00 C ATOM 233 CG1 VAL A 17 6.345 -5.363 2.008 1.00 0.00 C ATOM 234 CG2 VAL A 17 7.103 -7.299 3.394 1.00 0.00 C ATOM 0 H VAL A 17 8.206 -5.426 -0.406 1.00 0.00 H new ATOM 0 HA VAL A 17 9.094 -7.399 1.581 1.00 0.00 H new ATOM 0 HB VAL A 17 8.249 -5.516 3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.842 -4.936 2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.671 -4.560 1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.655 -6.016 1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.599 -6.875 4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.415 -7.953 2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.969 -7.875 3.722 1.00 0.00 H new ATOM 244 N ASN A 18 7.102 -8.851 0.821 1.00 0.00 N ATOM 245 CA ASN A 18 6.138 -9.717 0.085 1.00 0.00 C ATOM 246 C ASN A 18 4.713 -9.335 0.488 1.00 0.00 C ATOM 247 O ASN A 18 4.470 -8.879 1.587 1.00 0.00 O ATOM 248 CB ASN A 18 6.372 -11.191 0.431 1.00 0.00 C ATOM 249 CG ASN A 18 7.817 -11.414 0.880 1.00 0.00 C ATOM 250 OD1 ASN A 18 8.080 -12.200 1.769 1.00 0.00 O ATOM 251 ND2 ASN A 18 8.755 -10.734 0.280 1.00 0.00 N ATOM 0 H ASN A 18 7.588 -9.302 1.596 1.00 0.00 H new ATOM 0 HA ASN A 18 6.282 -9.574 -0.986 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.688 -11.498 1.222 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.155 -11.813 -0.437 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.514 -10.079 -0.464 1.00 0.00 H new ATOM 257 N CYS A 19 3.768 -9.520 -0.391 1.00 0.00 N ATOM 258 CA CYS A 19 2.361 -9.170 -0.052 1.00 0.00 C ATOM 259 C CYS A 19 1.696 -10.362 0.643 1.00 0.00 C ATOM 260 O CYS A 19 2.301 -11.398 0.829 1.00 0.00 O ATOM 261 CB CYS A 19 1.597 -8.833 -1.334 1.00 0.00 C ATOM 262 SG CYS A 19 2.140 -7.222 -1.951 1.00 0.00 S ATOM 0 H CYS A 19 3.909 -9.898 -1.328 1.00 0.00 H new ATOM 0 HA CYS A 19 2.349 -8.307 0.614 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.772 -9.601 -2.087 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.525 -8.817 -1.138 1.00 0.00 H new ATOM 267 N SER A 20 0.457 -10.223 1.028 1.00 0.00 N ATOM 268 CA SER A 20 -0.240 -11.351 1.711 1.00 0.00 C ATOM 269 C SER A 20 -1.240 -11.991 0.745 1.00 0.00 C ATOM 270 O SER A 20 -1.106 -11.890 -0.458 1.00 0.00 O ATOM 271 CB SER A 20 -0.982 -10.824 2.940 1.00 0.00 C ATOM 272 OG SER A 20 -2.110 -10.068 2.521 1.00 0.00 O ATOM 0 H SER A 20 -0.102 -9.380 0.900 1.00 0.00 H new ATOM 0 HA SER A 20 0.492 -12.096 2.022 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.300 -11.654 3.570 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.318 -10.204 3.542 1.00 0.00 H new ATOM 0 HG SER A 20 -2.588 -9.730 3.307 1.00 0.00 H new ATOM 278 N SER A 21 -2.241 -12.651 1.261 1.00 0.00 N ATOM 279 CA SER A 21 -3.245 -13.295 0.369 1.00 0.00 C ATOM 280 C SER A 21 -4.216 -12.233 -0.153 1.00 0.00 C ATOM 281 O SER A 21 -4.283 -11.134 0.361 1.00 0.00 O ATOM 282 CB SER A 21 -4.021 -14.356 1.153 1.00 0.00 C ATOM 283 OG SER A 21 -3.611 -15.647 0.723 1.00 0.00 O ATOM 0 H SER A 21 -2.406 -12.772 2.260 1.00 0.00 H new ATOM 0 HA SER A 21 -2.735 -13.767 -0.471 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.840 -14.241 2.222 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.092 -14.230 0.996 1.00 0.00 H new ATOM 0 HG SER A 21 -4.104 -16.330 1.223 1.00 0.00 H new ATOM 289 N ASP A 22 -4.968 -12.551 -1.170 1.00 0.00 N ATOM 290 CA ASP A 22 -5.932 -11.558 -1.724 1.00 0.00 C ATOM 291 C ASP A 22 -5.175 -10.303 -2.164 1.00 0.00 C ATOM 292 O ASP A 22 -5.666 -9.198 -2.049 1.00 0.00 O ATOM 293 CB ASP A 22 -6.954 -11.183 -0.649 1.00 0.00 C ATOM 294 CG ASP A 22 -7.753 -12.425 -0.249 1.00 0.00 C ATOM 295 OD1 ASP A 22 -7.164 -13.324 0.327 1.00 0.00 O ATOM 296 OD2 ASP A 22 -8.941 -12.455 -0.525 1.00 0.00 O ATOM 0 H ASP A 22 -4.957 -13.455 -1.642 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.447 -11.993 -2.581 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.446 -10.768 0.222 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.626 -10.411 -1.024 1.00 0.00 H new ATOM 301 N PHE A 23 -3.983 -10.466 -2.669 1.00 0.00 N ATOM 302 CA PHE A 23 -3.196 -9.283 -3.118 1.00 0.00 C ATOM 303 C PHE A 23 -2.157 -9.726 -4.150 1.00 0.00 C ATOM 304 O PHE A 23 -1.407 -10.656 -3.931 1.00 0.00 O ATOM 305 CB PHE A 23 -2.490 -8.651 -1.916 1.00 0.00 C ATOM 306 CG PHE A 23 -3.511 -7.965 -1.040 1.00 0.00 C ATOM 307 CD1 PHE A 23 -4.379 -7.015 -1.592 1.00 0.00 C ATOM 308 CD2 PHE A 23 -3.594 -8.282 0.322 1.00 0.00 C ATOM 309 CE1 PHE A 23 -5.329 -6.380 -0.783 1.00 0.00 C ATOM 310 CE2 PHE A 23 -4.544 -7.646 1.130 1.00 0.00 C ATOM 311 CZ PHE A 23 -5.411 -6.695 0.578 1.00 0.00 C ATOM 0 H PHE A 23 -3.520 -11.367 -2.790 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.865 -8.550 -3.569 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.961 -9.416 -1.347 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.744 -7.933 -2.255 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.316 -6.772 -2.642 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.926 -9.016 0.748 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.998 -5.647 -1.209 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.608 -7.889 2.180 1.00 0.00 H new ATOM 0 HZ PHE A 23 -6.143 -6.205 1.203 1.00 0.00 H new ATOM 321 N ASP A 24 -2.111 -9.070 -5.279 1.00 0.00 N ATOM 322 CA ASP A 24 -1.123 -9.459 -6.324 1.00 0.00 C ATOM 323 C ASP A 24 -0.859 -8.270 -7.252 1.00 0.00 C ATOM 324 O ASP A 24 0.256 -8.030 -7.665 1.00 0.00 O ATOM 325 CB ASP A 24 -1.682 -10.626 -7.141 1.00 0.00 C ATOM 326 CG ASP A 24 -3.125 -10.320 -7.545 1.00 0.00 C ATOM 327 OD1 ASP A 24 -3.312 -9.726 -8.595 1.00 0.00 O ATOM 328 OD2 ASP A 24 -4.019 -10.682 -6.797 1.00 0.00 O ATOM 0 H ASP A 24 -2.714 -8.284 -5.521 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.190 -9.759 -5.846 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.071 -10.788 -8.029 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.644 -11.545 -6.556 1.00 0.00 H new ATOM 333 N ALA A 25 -1.879 -7.525 -7.583 1.00 0.00 N ATOM 334 CA ALA A 25 -1.686 -6.354 -8.483 1.00 0.00 C ATOM 335 C ALA A 25 -1.074 -5.199 -7.691 1.00 0.00 C ATOM 336 O ALA A 25 -1.728 -4.584 -6.876 1.00 0.00 O ATOM 337 CB ALA A 25 -3.040 -5.915 -9.047 1.00 0.00 C ATOM 0 H ALA A 25 -2.837 -7.677 -7.269 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.021 -6.632 -9.301 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.899 -5.058 -9.706 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.483 -6.736 -9.610 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.703 -5.638 -8.227 1.00 0.00 H new ATOM 343 N CYS A 26 0.171 -4.888 -7.924 1.00 0.00 N ATOM 344 CA CYS A 26 0.790 -3.763 -7.172 1.00 0.00 C ATOM 345 C CYS A 26 -0.013 -2.499 -7.451 1.00 0.00 C ATOM 346 O CYS A 26 -0.671 -2.384 -8.465 1.00 0.00 O ATOM 347 CB CYS A 26 2.240 -3.568 -7.619 1.00 0.00 C ATOM 348 SG CYS A 26 3.268 -3.189 -6.177 1.00 0.00 S ATOM 0 H CYS A 26 0.780 -5.358 -8.594 1.00 0.00 H new ATOM 0 HA CYS A 26 0.785 -3.982 -6.104 1.00 0.00 H new ATOM 0 HB2 CYS A 26 2.604 -4.469 -8.112 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.302 -2.759 -8.347 1.00 0.00 H new ATOM 353 N LEU A 27 0.010 -1.557 -6.555 1.00 0.00 N ATOM 354 CA LEU A 27 -0.783 -0.320 -6.780 1.00 0.00 C ATOM 355 C LEU A 27 0.093 0.923 -6.622 1.00 0.00 C ATOM 356 O LEU A 27 0.760 1.111 -5.625 1.00 0.00 O ATOM 357 CB LEU A 27 -1.923 -0.279 -5.764 1.00 0.00 C ATOM 358 CG LEU A 27 -2.675 1.047 -5.873 1.00 0.00 C ATOM 359 CD1 LEU A 27 -3.909 0.857 -6.759 1.00 0.00 C ATOM 360 CD2 LEU A 27 -3.112 1.492 -4.475 1.00 0.00 C ATOM 0 H LEU A 27 0.539 -1.588 -5.683 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.180 -0.329 -7.795 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.607 -1.109 -5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.527 -0.400 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.027 1.805 -6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.448 1.801 -6.839 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.598 0.532 -7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.561 0.103 -6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.649 2.438 -4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.765 0.735 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.233 1.620 -3.843 1.00 0.00 H new ATOM 372 N ILE A 28 0.069 1.782 -7.605 1.00 0.00 N ATOM 373 CA ILE A 28 0.867 3.037 -7.534 1.00 0.00 C ATOM 374 C ILE A 28 -0.083 4.211 -7.766 1.00 0.00 C ATOM 375 O ILE A 28 -0.338 4.605 -8.888 1.00 0.00 O ATOM 376 CB ILE A 28 1.953 3.026 -8.613 1.00 0.00 C ATOM 377 CG1 ILE A 28 2.528 4.435 -8.776 1.00 0.00 C ATOM 378 CG2 ILE A 28 1.349 2.568 -9.942 1.00 0.00 C ATOM 379 CD1 ILE A 28 2.845 5.023 -7.400 1.00 0.00 C ATOM 0 H ILE A 28 -0.474 1.666 -8.461 1.00 0.00 H new ATOM 0 HA ILE A 28 1.350 3.125 -6.561 1.00 0.00 H new ATOM 0 HB ILE A 28 2.748 2.341 -8.318 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.431 4.402 -9.385 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.814 5.072 -9.299 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.123 2.560 -10.710 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.940 1.564 -9.829 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.553 3.253 -10.235 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.254 6.026 -7.519 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.932 5.071 -6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.575 4.391 -6.894 1.00 0.00 H new ATOM 391 N THR A 29 -0.628 4.757 -6.715 1.00 0.00 N ATOM 392 CA THR A 29 -1.583 5.887 -6.871 1.00 0.00 C ATOM 393 C THR A 29 -0.921 7.199 -6.448 1.00 0.00 C ATOM 394 O THR A 29 0.015 7.219 -5.677 1.00 0.00 O ATOM 395 CB THR A 29 -2.810 5.626 -5.992 1.00 0.00 C ATOM 396 OG1 THR A 29 -3.604 4.608 -6.584 1.00 0.00 O ATOM 397 CG2 THR A 29 -3.636 6.906 -5.858 1.00 0.00 C ATOM 0 H THR A 29 -0.452 4.468 -5.753 1.00 0.00 H new ATOM 0 HA THR A 29 -1.883 5.966 -7.916 1.00 0.00 H new ATOM 0 HB THR A 29 -2.483 5.307 -5.002 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.389 4.438 -6.023 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.507 6.713 -5.232 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.027 7.686 -5.402 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.964 7.232 -6.845 1.00 0.00 H new ATOM 405 N LYS A 30 -1.415 8.297 -6.949 1.00 0.00 N ATOM 406 CA LYS A 30 -0.838 9.619 -6.582 1.00 0.00 C ATOM 407 C LYS A 30 -1.969 10.645 -6.493 1.00 0.00 C ATOM 408 O LYS A 30 -2.287 11.319 -7.453 1.00 0.00 O ATOM 409 CB LYS A 30 0.169 10.053 -7.650 1.00 0.00 C ATOM 410 CG LYS A 30 1.587 9.966 -7.082 1.00 0.00 C ATOM 411 CD LYS A 30 2.575 10.574 -8.080 1.00 0.00 C ATOM 412 CE LYS A 30 3.539 9.493 -8.571 1.00 0.00 C ATOM 413 NZ LYS A 30 4.905 10.072 -8.713 1.00 0.00 N ATOM 0 H LYS A 30 -2.199 8.335 -7.601 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.329 9.547 -5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.079 9.416 -8.530 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.043 11.073 -7.972 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.642 10.496 -6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.848 8.926 -6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.036 11.005 -8.924 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.131 11.385 -7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.557 8.660 -7.868 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.200 9.096 -9.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.450 9.511 -9.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.833 11.054 -9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.387 10.055 -7.791 1.00 0.00 H new ATOM 427 N ALA A 31 -2.587 10.760 -5.350 1.00 0.00 N ATOM 428 CA ALA A 31 -3.708 11.732 -5.200 1.00 0.00 C ATOM 429 C ALA A 31 -3.163 13.094 -4.770 1.00 0.00 C ATOM 430 O ALA A 31 -3.352 13.522 -3.648 1.00 0.00 O ATOM 431 CB ALA A 31 -4.687 11.220 -4.142 1.00 0.00 C ATOM 0 H ALA A 31 -2.364 10.223 -4.512 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.221 11.837 -6.156 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.507 11.930 -4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.083 10.253 -4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.169 11.112 -3.189 1.00 0.00 H new ATOM 437 N GLY A 32 -2.499 13.787 -5.654 1.00 0.00 N ATOM 438 CA GLY A 32 -1.957 15.127 -5.291 1.00 0.00 C ATOM 439 C GLY A 32 -0.441 15.045 -5.113 1.00 0.00 C ATOM 440 O GLY A 32 0.272 14.561 -5.968 1.00 0.00 O ATOM 0 H GLY A 32 -2.309 13.484 -6.609 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.202 15.851 -6.069 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.421 15.479 -4.370 1.00 0.00 H new ATOM 444 N LEU A 33 0.058 15.523 -4.005 1.00 0.00 N ATOM 445 CA LEU A 33 1.528 15.484 -3.768 1.00 0.00 C ATOM 446 C LEU A 33 1.887 14.244 -2.948 1.00 0.00 C ATOM 447 O LEU A 33 3.045 13.914 -2.780 1.00 0.00 O ATOM 448 CB LEU A 33 1.951 16.739 -3.000 1.00 0.00 C ATOM 449 CG LEU A 33 1.007 16.957 -1.816 1.00 0.00 C ATOM 450 CD1 LEU A 33 1.825 17.158 -0.539 1.00 0.00 C ATOM 451 CD2 LEU A 33 0.149 18.200 -2.069 1.00 0.00 C ATOM 0 H LEU A 33 -0.491 15.939 -3.253 1.00 0.00 H new ATOM 0 HA LEU A 33 2.047 15.446 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.976 16.633 -2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.930 17.606 -3.660 1.00 0.00 H new ATOM 0 HG LEU A 33 0.363 16.085 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.152 17.313 0.304 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.437 16.275 -0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.470 18.029 -0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.524 18.356 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.795 19.071 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.436 18.060 -2.978 1.00 0.00 H new ATOM 463 N GLN A 34 0.909 13.555 -2.429 1.00 0.00 N ATOM 464 CA GLN A 34 1.205 12.343 -1.613 1.00 0.00 C ATOM 465 C GLN A 34 1.056 11.086 -2.475 1.00 0.00 C ATOM 466 O GLN A 34 0.103 10.934 -3.212 1.00 0.00 O ATOM 467 CB GLN A 34 0.230 12.272 -0.436 1.00 0.00 C ATOM 468 CG GLN A 34 -1.165 11.912 -0.948 1.00 0.00 C ATOM 469 CD GLN A 34 -2.213 12.723 -0.184 1.00 0.00 C ATOM 470 OE1 GLN A 34 -1.900 13.370 0.796 1.00 0.00 O ATOM 471 NE2 GLN A 34 -3.452 12.715 -0.592 1.00 0.00 N ATOM 0 H GLN A 34 -0.081 13.778 -2.534 1.00 0.00 H new ATOM 0 HA GLN A 34 2.227 12.402 -1.239 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.568 11.527 0.285 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.202 13.229 0.084 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.237 12.119 -2.016 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.348 10.846 -0.817 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.715 12.172 -1.415 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.158 13.252 -0.089 1.00 0.00 H new ATOM 480 N VAL A 35 1.993 10.180 -2.382 1.00 0.00 N ATOM 481 CA VAL A 35 1.907 8.930 -3.188 1.00 0.00 C ATOM 482 C VAL A 35 1.272 7.826 -2.337 1.00 0.00 C ATOM 483 O VAL A 35 1.140 7.954 -1.136 1.00 0.00 O ATOM 484 CB VAL A 35 3.315 8.508 -3.628 1.00 0.00 C ATOM 485 CG1 VAL A 35 3.315 7.035 -4.046 1.00 0.00 C ATOM 486 CG2 VAL A 35 3.751 9.368 -4.817 1.00 0.00 C ATOM 0 H VAL A 35 2.814 10.253 -1.782 1.00 0.00 H new ATOM 0 HA VAL A 35 1.294 9.101 -4.073 1.00 0.00 H new ATOM 0 HB VAL A 35 4.005 8.645 -2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.319 6.745 -4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.003 6.418 -3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.623 6.892 -4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.751 9.072 -5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.053 9.228 -5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.760 10.418 -4.523 1.00 0.00 H new ATOM 496 N TYR A 36 0.877 6.743 -2.950 1.00 0.00 N ATOM 497 CA TYR A 36 0.247 5.636 -2.177 1.00 0.00 C ATOM 498 C TYR A 36 0.795 4.291 -2.664 1.00 0.00 C ATOM 499 O TYR A 36 0.261 3.686 -3.572 1.00 0.00 O ATOM 500 CB TYR A 36 -1.269 5.673 -2.379 1.00 0.00 C ATOM 501 CG TYR A 36 -1.887 6.606 -1.366 1.00 0.00 C ATOM 502 CD1 TYR A 36 -1.736 6.350 0.002 1.00 0.00 C ATOM 503 CD2 TYR A 36 -2.606 7.728 -1.794 1.00 0.00 C ATOM 504 CE1 TYR A 36 -2.306 7.215 0.942 1.00 0.00 C ATOM 505 CE2 TYR A 36 -3.176 8.595 -0.854 1.00 0.00 C ATOM 506 CZ TYR A 36 -3.026 8.338 0.515 1.00 0.00 C ATOM 507 OH TYR A 36 -3.586 9.193 1.443 1.00 0.00 O ATOM 0 H TYR A 36 0.964 6.578 -3.953 1.00 0.00 H new ATOM 0 HA TYR A 36 0.477 5.757 -1.118 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.504 6.008 -3.389 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.686 4.672 -2.270 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.180 5.485 0.332 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.721 7.925 -2.850 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.191 7.017 1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.731 9.461 -1.184 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.050 9.921 0.979 1.00 0.00 H new ATOM 517 N ASN A 37 1.853 3.817 -2.065 1.00 0.00 N ATOM 518 CA ASN A 37 2.427 2.509 -2.492 1.00 0.00 C ATOM 519 C ASN A 37 1.834 1.394 -1.629 1.00 0.00 C ATOM 520 O ASN A 37 2.069 1.328 -0.438 1.00 0.00 O ATOM 521 CB ASN A 37 3.948 2.534 -2.319 1.00 0.00 C ATOM 522 CG ASN A 37 4.470 3.947 -2.581 1.00 0.00 C ATOM 523 OD1 ASN A 37 4.896 4.258 -3.675 1.00 0.00 O ATOM 524 ND2 ASN A 37 4.456 4.823 -1.614 1.00 0.00 N ATOM 0 H ASN A 37 2.344 4.278 -1.299 1.00 0.00 H new ATOM 0 HA ASN A 37 2.187 2.330 -3.540 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.215 2.218 -1.311 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.414 1.829 -3.008 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.803 5.768 -1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.098 4.562 -0.695 1.00 0.00 H new ATOM 531 N LYS A 38 1.064 0.518 -2.215 1.00 0.00 N ATOM 532 CA LYS A 38 0.456 -0.586 -1.417 1.00 0.00 C ATOM 533 C LYS A 38 0.035 -1.726 -2.344 1.00 0.00 C ATOM 534 O LYS A 38 -0.159 -1.543 -3.530 1.00 0.00 O ATOM 535 CB LYS A 38 -0.775 -0.058 -0.677 1.00 0.00 C ATOM 536 CG LYS A 38 -0.572 -0.213 0.831 1.00 0.00 C ATOM 537 CD LYS A 38 -1.545 0.706 1.572 1.00 0.00 C ATOM 538 CE LYS A 38 -1.081 2.158 1.432 1.00 0.00 C ATOM 539 NZ LYS A 38 -1.378 2.898 2.691 1.00 0.00 N ATOM 0 H LYS A 38 0.830 0.518 -3.208 1.00 0.00 H new ATOM 0 HA LYS A 38 1.189 -0.956 -0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.940 0.990 -0.926 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.664 -0.604 -0.993 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.737 -1.249 1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.455 0.035 1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.550 0.593 1.165 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.594 0.428 2.625 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.012 2.191 1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.586 2.633 0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.063 3.885 2.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.402 2.877 2.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.877 2.449 3.484 1.00 0.00 H new ATOM 553 N CYS A 39 -0.117 -2.902 -1.801 1.00 0.00 N ATOM 554 CA CYS A 39 -0.536 -4.064 -2.633 1.00 0.00 C ATOM 555 C CYS A 39 -2.034 -3.956 -2.911 1.00 0.00 C ATOM 556 O CYS A 39 -2.804 -3.566 -2.055 1.00 0.00 O ATOM 557 CB CYS A 39 -0.247 -5.365 -1.884 1.00 0.00 C ATOM 558 SG CYS A 39 0.558 -6.537 -3.003 1.00 0.00 S ATOM 0 H CYS A 39 0.032 -3.109 -0.813 1.00 0.00 H new ATOM 0 HA CYS A 39 0.017 -4.064 -3.572 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.393 -5.168 -1.024 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.174 -5.790 -1.500 1.00 0.00 H new ATOM 563 N TRP A 40 -2.455 -4.276 -4.101 1.00 0.00 N ATOM 564 CA TRP A 40 -3.898 -4.164 -4.422 1.00 0.00 C ATOM 565 C TRP A 40 -4.305 -5.271 -5.399 1.00 0.00 C ATOM 566 O TRP A 40 -3.477 -5.872 -6.054 1.00 0.00 O ATOM 567 CB TRP A 40 -4.131 -2.799 -5.059 1.00 0.00 C ATOM 568 CG TRP A 40 -5.490 -2.302 -4.716 1.00 0.00 C ATOM 569 CD1 TRP A 40 -6.634 -2.755 -5.264 1.00 0.00 C ATOM 570 CD2 TRP A 40 -5.865 -1.266 -3.767 1.00 0.00 C ATOM 571 NE1 TRP A 40 -7.697 -2.058 -4.715 1.00 0.00 N ATOM 572 CE2 TRP A 40 -7.272 -1.128 -3.784 1.00 0.00 C ATOM 573 CE3 TRP A 40 -5.127 -0.439 -2.902 1.00 0.00 C ATOM 574 CZ2 TRP A 40 -7.925 -0.200 -2.969 1.00 0.00 C ATOM 575 CZ3 TRP A 40 -5.778 0.495 -2.081 1.00 0.00 C ATOM 576 CH2 TRP A 40 -7.175 0.614 -2.115 1.00 0.00 C ATOM 0 H TRP A 40 -1.862 -4.609 -4.861 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.496 -4.269 -3.517 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -3.378 -2.093 -4.710 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -4.024 -2.871 -6.141 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.710 -3.533 -6.009 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -8.674 -2.212 -4.966 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.051 -0.523 -2.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -9.001 -0.112 -2.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.201 1.125 -1.420 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -7.671 1.334 -1.482 1.00 0.00 H new ATOM 587 N LYS A 41 -5.577 -5.540 -5.506 1.00 0.00 N ATOM 588 CA LYS A 41 -6.037 -6.600 -6.445 1.00 0.00 C ATOM 589 C LYS A 41 -6.384 -5.956 -7.788 1.00 0.00 C ATOM 590 O LYS A 41 -6.569 -4.759 -7.881 1.00 0.00 O ATOM 591 CB LYS A 41 -7.277 -7.293 -5.872 1.00 0.00 C ATOM 592 CG LYS A 41 -6.851 -8.552 -5.115 1.00 0.00 C ATOM 593 CD LYS A 41 -7.813 -9.697 -5.444 1.00 0.00 C ATOM 594 CE LYS A 41 -7.696 -10.783 -4.373 1.00 0.00 C ATOM 595 NZ LYS A 41 -8.582 -11.926 -4.726 1.00 0.00 N ATOM 0 H LYS A 41 -6.317 -5.071 -4.984 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.247 -7.339 -6.582 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.809 -6.616 -5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.965 -7.554 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.833 -8.828 -5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.850 -8.361 -4.042 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.836 -9.325 -5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.580 -10.112 -6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.663 -11.121 -4.294 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.975 -10.380 -3.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.503 -12.664 -3.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.567 -11.598 -4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.296 -12.316 -5.647 1.00 0.00 H new ATOM 609 N PHE A 42 -6.478 -6.734 -8.832 1.00 0.00 N ATOM 610 CA PHE A 42 -6.814 -6.152 -10.159 1.00 0.00 C ATOM 611 C PHE A 42 -8.322 -5.931 -10.242 1.00 0.00 C ATOM 612 O PHE A 42 -8.795 -5.059 -10.942 1.00 0.00 O ATOM 613 CB PHE A 42 -6.377 -7.110 -11.268 1.00 0.00 C ATOM 614 CG PHE A 42 -6.538 -6.427 -12.605 1.00 0.00 C ATOM 615 CD1 PHE A 42 -7.807 -6.314 -13.185 1.00 0.00 C ATOM 616 CD2 PHE A 42 -5.419 -5.901 -13.262 1.00 0.00 C ATOM 617 CE1 PHE A 42 -7.956 -5.679 -14.423 1.00 0.00 C ATOM 618 CE2 PHE A 42 -5.569 -5.265 -14.499 1.00 0.00 C ATOM 619 CZ PHE A 42 -6.838 -5.153 -15.080 1.00 0.00 C ATOM 0 H PHE A 42 -6.337 -7.744 -8.822 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.295 -5.201 -10.282 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.339 -7.407 -11.120 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.976 -8.020 -11.236 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.671 -6.717 -12.677 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.440 -5.986 -12.814 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.935 -5.595 -14.872 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.706 -4.860 -15.006 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.954 -4.661 -16.034 1.00 0.00 H new ATOM 629 N GLU A 43 -9.081 -6.717 -9.530 1.00 0.00 N ATOM 630 CA GLU A 43 -10.558 -6.554 -9.567 1.00 0.00 C ATOM 631 C GLU A 43 -10.945 -5.272 -8.828 1.00 0.00 C ATOM 632 O GLU A 43 -11.892 -4.599 -9.185 1.00 0.00 O ATOM 633 CB GLU A 43 -11.222 -7.754 -8.889 1.00 0.00 C ATOM 634 CG GLU A 43 -12.732 -7.708 -9.134 1.00 0.00 C ATOM 635 CD GLU A 43 -13.013 -7.900 -10.626 1.00 0.00 C ATOM 636 OE1 GLU A 43 -12.660 -8.946 -11.145 1.00 0.00 O ATOM 637 OE2 GLU A 43 -13.578 -6.999 -11.222 1.00 0.00 O ATOM 0 H GLU A 43 -8.741 -7.464 -8.925 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.892 -6.493 -10.603 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.807 -8.682 -9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.016 -7.740 -7.819 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.229 -8.487 -8.556 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.137 -6.754 -8.797 1.00 0.00 H new ATOM 644 N HIS A 44 -10.218 -4.931 -7.801 1.00 0.00 N ATOM 645 CA HIS A 44 -10.537 -3.696 -7.033 1.00 0.00 C ATOM 646 C HIS A 44 -9.773 -2.513 -7.628 1.00 0.00 C ATOM 647 O HIS A 44 -9.673 -1.460 -7.031 1.00 0.00 O ATOM 648 CB HIS A 44 -10.119 -3.890 -5.574 1.00 0.00 C ATOM 649 CG HIS A 44 -10.677 -5.187 -5.058 1.00 0.00 C ATOM 650 ND1 HIS A 44 -10.384 -5.666 -3.791 1.00 0.00 N ATOM 651 CD2 HIS A 44 -11.510 -6.120 -5.627 1.00 0.00 C ATOM 652 CE1 HIS A 44 -11.028 -6.838 -3.640 1.00 0.00 C ATOM 653 NE2 HIS A 44 -11.729 -7.161 -4.729 1.00 0.00 N ATOM 0 H HIS A 44 -9.413 -5.457 -7.459 1.00 0.00 H new ATOM 0 HA HIS A 44 -11.608 -3.498 -7.086 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -9.032 -3.893 -5.494 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -10.481 -3.060 -4.968 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.931 -6.056 -6.620 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -10.983 -7.443 -2.747 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -12.302 -7.992 -4.872 1.00 0.00 H new ATOM 661 N CYS A 45 -9.232 -2.677 -8.804 1.00 0.00 N ATOM 662 CA CYS A 45 -8.475 -1.562 -9.440 1.00 0.00 C ATOM 663 C CYS A 45 -9.368 -0.867 -10.470 1.00 0.00 C ATOM 664 O CYS A 45 -9.194 -1.026 -11.662 1.00 0.00 O ATOM 665 CB CYS A 45 -7.231 -2.122 -10.133 1.00 0.00 C ATOM 666 SG CYS A 45 -5.871 -0.937 -9.986 1.00 0.00 S ATOM 0 H CYS A 45 -9.282 -3.536 -9.352 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.172 -0.843 -8.679 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.948 -3.073 -9.682 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.444 -2.318 -11.184 1.00 0.00 H new ATOM 671 N ASN A 46 -10.324 -0.099 -10.022 1.00 0.00 N ATOM 672 CA ASN A 46 -11.226 0.604 -10.980 1.00 0.00 C ATOM 673 C ASN A 46 -11.480 2.033 -10.493 1.00 0.00 C ATOM 674 O ASN A 46 -10.887 2.488 -9.536 1.00 0.00 O ATOM 675 CB ASN A 46 -12.556 -0.148 -11.079 1.00 0.00 C ATOM 676 CG ASN A 46 -12.940 -0.693 -9.703 1.00 0.00 C ATOM 677 OD1 ASN A 46 -13.762 -0.119 -9.017 1.00 0.00 O ATOM 678 ND2 ASN A 46 -12.377 -1.787 -9.269 1.00 0.00 N ATOM 0 H ASN A 46 -10.520 0.072 -9.036 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.754 0.636 -11.962 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -13.336 0.518 -11.448 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -12.471 -0.966 -11.795 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.627 -2.161 -8.353 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.687 -2.269 -9.845 1.00 0.00 H new ATOM 685 N PHE A 47 -12.357 2.745 -11.148 1.00 0.00 N ATOM 686 CA PHE A 47 -12.650 4.145 -10.727 1.00 0.00 C ATOM 687 C PHE A 47 -13.730 4.137 -9.642 1.00 0.00 C ATOM 688 O PHE A 47 -14.772 4.743 -9.790 1.00 0.00 O ATOM 689 CB PHE A 47 -13.148 4.947 -11.933 1.00 0.00 C ATOM 690 CG PHE A 47 -12.531 6.326 -11.924 1.00 0.00 C ATOM 691 CD1 PHE A 47 -12.786 7.201 -10.860 1.00 0.00 C ATOM 692 CD2 PHE A 47 -11.710 6.733 -12.983 1.00 0.00 C ATOM 693 CE1 PHE A 47 -12.218 8.482 -10.855 1.00 0.00 C ATOM 694 CE2 PHE A 47 -11.143 8.012 -12.978 1.00 0.00 C ATOM 695 CZ PHE A 47 -11.397 8.887 -11.914 1.00 0.00 C ATOM 0 H PHE A 47 -12.884 2.417 -11.958 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.742 4.603 -10.334 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.889 4.429 -12.857 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.235 5.025 -11.905 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.420 6.888 -10.044 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.514 6.059 -13.804 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -12.414 9.156 -10.035 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.509 8.325 -13.795 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.959 9.874 -11.911 1.00 0.00 H new ATOM 705 N ASN A 48 -13.491 3.459 -8.553 1.00 0.00 N ATOM 706 CA ASN A 48 -14.510 3.420 -7.466 1.00 0.00 C ATOM 707 C ASN A 48 -14.012 2.537 -6.320 1.00 0.00 C ATOM 708 O ASN A 48 -14.262 2.807 -5.163 1.00 0.00 O ATOM 709 CB ASN A 48 -15.822 2.852 -8.013 1.00 0.00 C ATOM 710 CG ASN A 48 -16.798 2.619 -6.858 1.00 0.00 C ATOM 711 OD1 ASN A 48 -17.616 1.722 -6.907 1.00 0.00 O ATOM 712 ND2 ASN A 48 -16.748 3.399 -5.812 1.00 0.00 N ATOM 0 H ASN A 48 -12.637 2.932 -8.369 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.677 4.431 -7.096 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.256 3.542 -8.736 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.634 1.916 -8.539 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.395 3.255 -5.037 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.062 4.152 -5.770 1.00 0.00 H new ATOM 719 N ASP A 49 -13.312 1.479 -6.628 1.00 0.00 N ATOM 720 CA ASP A 49 -12.807 0.584 -5.549 1.00 0.00 C ATOM 721 C ASP A 49 -11.583 1.220 -4.885 1.00 0.00 C ATOM 722 O ASP A 49 -11.429 1.181 -3.680 1.00 0.00 O ATOM 723 CB ASP A 49 -12.418 -0.768 -6.146 1.00 0.00 C ATOM 724 CG ASP A 49 -13.674 -1.616 -6.351 1.00 0.00 C ATOM 725 OD1 ASP A 49 -14.678 -1.062 -6.767 1.00 0.00 O ATOM 726 OD2 ASP A 49 -13.610 -2.806 -6.087 1.00 0.00 O ATOM 0 H ASP A 49 -13.069 1.197 -7.577 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.589 0.440 -4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.905 -0.623 -7.097 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.723 -1.283 -5.484 1.00 0.00 H new ATOM 731 N VAL A 50 -10.711 1.802 -5.661 1.00 0.00 N ATOM 732 CA VAL A 50 -9.499 2.436 -5.071 1.00 0.00 C ATOM 733 C VAL A 50 -9.822 3.876 -4.661 1.00 0.00 C ATOM 734 O VAL A 50 -9.249 4.408 -3.731 1.00 0.00 O ATOM 735 CB VAL A 50 -8.372 2.438 -6.108 1.00 0.00 C ATOM 736 CG1 VAL A 50 -7.245 3.363 -5.643 1.00 0.00 C ATOM 737 CG2 VAL A 50 -7.829 1.016 -6.266 1.00 0.00 C ATOM 0 H VAL A 50 -10.785 1.866 -6.676 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.184 1.873 -4.192 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.759 2.793 -7.063 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.445 3.362 -6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.630 4.376 -5.527 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.856 3.011 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.026 1.013 -7.003 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.444 0.665 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.630 0.356 -6.599 1.00 0.00 H new ATOM 747 N THR A 51 -10.736 4.510 -5.344 1.00 0.00 N ATOM 748 CA THR A 51 -11.093 5.912 -4.986 1.00 0.00 C ATOM 749 C THR A 51 -11.926 5.912 -3.701 1.00 0.00 C ATOM 750 O THR A 51 -12.153 6.942 -3.097 1.00 0.00 O ATOM 751 CB THR A 51 -11.907 6.542 -6.120 1.00 0.00 C ATOM 752 OG1 THR A 51 -12.531 5.515 -6.879 1.00 0.00 O ATOM 753 CG2 THR A 51 -10.982 7.359 -7.025 1.00 0.00 C ATOM 0 H THR A 51 -11.250 4.118 -6.133 1.00 0.00 H new ATOM 0 HA THR A 51 -10.181 6.489 -4.832 1.00 0.00 H new ATOM 0 HB THR A 51 -12.669 7.198 -5.699 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.054 5.916 -7.604 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.564 7.806 -7.831 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.505 8.147 -6.442 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.218 6.707 -7.448 1.00 0.00 H new ATOM 761 N THR A 52 -12.383 4.764 -3.281 1.00 0.00 N ATOM 762 CA THR A 52 -13.204 4.698 -2.038 1.00 0.00 C ATOM 763 C THR A 52 -12.356 4.138 -0.893 1.00 0.00 C ATOM 764 O THR A 52 -12.417 4.610 0.224 1.00 0.00 O ATOM 765 CB THR A 52 -14.403 3.782 -2.274 1.00 0.00 C ATOM 766 OG1 THR A 52 -15.329 4.426 -3.139 1.00 0.00 O ATOM 767 CG2 THR A 52 -15.081 3.468 -0.940 1.00 0.00 C ATOM 0 H THR A 52 -12.224 3.869 -3.744 1.00 0.00 H new ATOM 0 HA THR A 52 -13.551 5.698 -1.777 1.00 0.00 H new ATOM 0 HB THR A 52 -14.064 2.853 -2.733 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.136 4.178 -4.067 1.00 0.00 H new ATOM 0 HG21 THR A 52 -15.936 2.814 -1.111 1.00 0.00 H new ATOM 0 HG22 THR A 52 -14.371 2.971 -0.279 1.00 0.00 H new ATOM 0 HG23 THR A 52 -15.420 4.395 -0.477 1.00 0.00 H new ATOM 775 N ARG A 53 -11.565 3.134 -1.161 1.00 0.00 N ATOM 776 CA ARG A 53 -10.717 2.552 -0.085 1.00 0.00 C ATOM 777 C ARG A 53 -9.804 3.645 0.471 1.00 0.00 C ATOM 778 O ARG A 53 -9.567 3.728 1.660 1.00 0.00 O ATOM 779 CB ARG A 53 -9.868 1.418 -0.661 1.00 0.00 C ATOM 780 CG ARG A 53 -10.734 0.167 -0.829 1.00 0.00 C ATOM 781 CD ARG A 53 -10.999 -0.462 0.539 1.00 0.00 C ATOM 782 NE ARG A 53 -12.222 -1.310 0.466 1.00 0.00 N ATOM 783 CZ ARG A 53 -13.360 -0.851 0.908 1.00 0.00 C ATOM 784 NH1 ARG A 53 -13.765 0.339 0.556 1.00 0.00 N ATOM 785 NH2 ARG A 53 -14.094 -1.582 1.702 1.00 0.00 N ATOM 0 H ARG A 53 -11.470 2.694 -2.076 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.348 2.158 0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.449 1.715 -1.622 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.028 1.206 0.001 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.677 0.427 -1.309 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.232 -0.550 -1.479 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.144 -1.064 0.846 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.128 0.317 1.291 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.169 -2.249 0.071 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.191 0.910 -0.065 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.655 0.698 0.902 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.778 -2.512 1.977 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.984 -1.223 2.048 1.00 0.00 H new ATOM 799 N LEU A 54 -9.301 4.492 -0.384 1.00 0.00 N ATOM 800 CA LEU A 54 -8.413 5.588 0.084 1.00 0.00 C ATOM 801 C LEU A 54 -9.263 6.818 0.414 1.00 0.00 C ATOM 802 O LEU A 54 -8.771 7.806 0.921 1.00 0.00 O ATOM 803 CB LEU A 54 -7.418 5.938 -1.022 1.00 0.00 C ATOM 804 CG LEU A 54 -6.815 4.653 -1.589 1.00 0.00 C ATOM 805 CD1 LEU A 54 -6.350 4.897 -3.025 1.00 0.00 C ATOM 806 CD2 LEU A 54 -5.621 4.229 -0.731 1.00 0.00 C ATOM 0 H LEU A 54 -9.469 4.470 -1.390 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.871 5.269 0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.918 6.497 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.630 6.579 -0.627 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.567 3.864 -1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.920 3.980 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.200 5.199 -3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.598 5.686 -3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.190 3.313 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.869 5.018 -0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.952 4.054 0.293 1.00 0.00 H new ATOM 818 N ARG A 55 -10.537 6.766 0.125 1.00 0.00 N ATOM 819 CA ARG A 55 -11.416 7.929 0.416 1.00 0.00 C ATOM 820 C ARG A 55 -10.951 9.130 -0.406 1.00 0.00 C ATOM 821 O ARG A 55 -11.073 10.267 0.005 1.00 0.00 O ATOM 822 CB ARG A 55 -11.353 8.264 1.908 1.00 0.00 C ATOM 823 CG ARG A 55 -12.302 7.342 2.675 1.00 0.00 C ATOM 824 CD ARG A 55 -12.603 7.944 4.049 1.00 0.00 C ATOM 825 NE ARG A 55 -12.343 6.927 5.105 1.00 0.00 N ATOM 826 CZ ARG A 55 -12.278 7.288 6.358 1.00 0.00 C ATOM 827 NH1 ARG A 55 -13.375 7.462 7.042 1.00 0.00 N ATOM 828 NH2 ARG A 55 -11.118 7.477 6.923 1.00 0.00 N ATOM 0 H ARG A 55 -11.004 5.965 -0.301 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.445 7.685 0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -10.334 8.144 2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.630 9.306 2.070 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.227 7.208 2.115 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.853 6.355 2.789 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.982 8.824 4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.641 8.273 4.094 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.216 5.948 4.849 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.282 7.316 6.598 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.326 7.744 8.021 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.261 7.343 6.386 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -11.067 7.759 7.902 1.00 0.00 H new ATOM 842 N GLU A 56 -10.424 8.880 -1.572 1.00 0.00 N ATOM 843 CA GLU A 56 -9.953 9.994 -2.439 1.00 0.00 C ATOM 844 C GLU A 56 -10.585 9.843 -3.824 1.00 0.00 C ATOM 845 O GLU A 56 -10.491 8.805 -4.449 1.00 0.00 O ATOM 846 CB GLU A 56 -8.428 9.941 -2.560 1.00 0.00 C ATOM 847 CG GLU A 56 -7.834 11.279 -2.117 1.00 0.00 C ATOM 848 CD GLU A 56 -6.812 11.042 -1.004 1.00 0.00 C ATOM 849 OE1 GLU A 56 -6.839 9.972 -0.418 1.00 0.00 O ATOM 850 OE2 GLU A 56 -6.018 11.935 -0.754 1.00 0.00 O ATOM 0 H GLU A 56 -10.299 7.946 -1.963 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.242 10.950 -2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.032 9.133 -1.944 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.142 9.727 -3.590 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.358 11.775 -2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.625 11.941 -1.764 1.00 0.00 H new ATOM 857 N ASN A 57 -11.237 10.865 -4.307 1.00 0.00 N ATOM 858 CA ASN A 57 -11.883 10.769 -5.646 1.00 0.00 C ATOM 859 C ASN A 57 -10.875 11.121 -6.741 1.00 0.00 C ATOM 860 O ASN A 57 -10.640 10.352 -7.651 1.00 0.00 O ATOM 861 CB ASN A 57 -13.063 11.741 -5.710 1.00 0.00 C ATOM 862 CG ASN A 57 -14.326 11.043 -5.199 1.00 0.00 C ATOM 863 OD1 ASN A 57 -15.062 11.598 -4.406 1.00 0.00 O ATOM 864 ND2 ASN A 57 -14.609 9.841 -5.621 1.00 0.00 N ATOM 0 H ASN A 57 -11.350 11.761 -3.833 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.236 9.749 -5.801 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.853 12.625 -5.107 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.212 12.082 -6.734 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -15.448 9.367 -5.286 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.992 9.375 -6.286 1.00 0.00 H new ATOM 871 N GLU A 58 -10.283 12.282 -6.668 1.00 0.00 N ATOM 872 CA GLU A 58 -9.301 12.681 -7.713 1.00 0.00 C ATOM 873 C GLU A 58 -7.956 11.996 -7.453 1.00 0.00 C ATOM 874 O GLU A 58 -7.317 12.224 -6.445 1.00 0.00 O ATOM 875 CB GLU A 58 -9.117 14.199 -7.685 1.00 0.00 C ATOM 876 CG GLU A 58 -10.241 14.863 -8.483 1.00 0.00 C ATOM 877 CD GLU A 58 -9.653 15.554 -9.715 1.00 0.00 C ATOM 878 OE1 GLU A 58 -8.458 15.799 -9.718 1.00 0.00 O ATOM 879 OE2 GLU A 58 -10.407 15.823 -10.635 1.00 0.00 O ATOM 0 H GLU A 58 -10.437 12.970 -5.931 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.673 12.376 -8.691 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.126 14.558 -6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.149 14.467 -8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.975 14.117 -8.787 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.764 15.589 -7.860 1.00 0.00 H new ATOM 886 N LEU A 59 -7.522 11.161 -8.359 1.00 0.00 N ATOM 887 CA LEU A 59 -6.217 10.466 -8.167 1.00 0.00 C ATOM 888 C LEU A 59 -5.940 9.553 -9.364 1.00 0.00 C ATOM 889 O LEU A 59 -6.827 9.229 -10.128 1.00 0.00 O ATOM 890 CB LEU A 59 -6.266 9.624 -6.889 1.00 0.00 C ATOM 891 CG LEU A 59 -7.385 8.586 -7.001 1.00 0.00 C ATOM 892 CD1 LEU A 59 -6.911 7.407 -7.854 1.00 0.00 C ATOM 893 CD2 LEU A 59 -7.754 8.085 -5.604 1.00 0.00 C ATOM 0 H LEU A 59 -8.014 10.931 -9.222 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.424 11.209 -8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.309 9.126 -6.732 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.437 10.266 -6.025 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.257 9.044 -7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.710 6.670 -7.932 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.646 7.762 -8.850 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.038 6.949 -7.388 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.551 7.345 -5.681 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.880 7.629 -5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.094 8.923 -4.995 1.00 0.00 H new ATOM 905 N THR A 60 -4.716 9.132 -9.528 1.00 0.00 N ATOM 906 CA THR A 60 -4.380 8.232 -10.668 1.00 0.00 C ATOM 907 C THR A 60 -3.851 6.905 -10.121 1.00 0.00 C ATOM 908 O THR A 60 -2.721 6.808 -9.687 1.00 0.00 O ATOM 909 CB THR A 60 -3.310 8.890 -11.542 1.00 0.00 C ATOM 910 OG1 THR A 60 -2.855 10.081 -10.915 1.00 0.00 O ATOM 911 CG2 THR A 60 -3.903 9.226 -12.911 1.00 0.00 C ATOM 0 H THR A 60 -3.933 9.373 -8.921 1.00 0.00 H new ATOM 0 HA THR A 60 -5.272 8.051 -11.268 1.00 0.00 H new ATOM 0 HB THR A 60 -2.473 8.204 -11.670 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.168 10.503 -11.473 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.140 9.695 -13.533 1.00 0.00 H new ATOM 0 HG22 THR A 60 -4.251 8.311 -13.391 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.741 9.912 -12.786 1.00 0.00 H new ATOM 919 N TYR A 61 -4.662 5.882 -10.132 1.00 0.00 N ATOM 920 CA TYR A 61 -4.206 4.567 -9.603 1.00 0.00 C ATOM 921 C TYR A 61 -3.768 3.666 -10.760 1.00 0.00 C ATOM 922 O TYR A 61 -4.504 3.444 -11.701 1.00 0.00 O ATOM 923 CB TYR A 61 -5.357 3.901 -8.846 1.00 0.00 C ATOM 924 CG TYR A 61 -6.470 3.569 -9.810 1.00 0.00 C ATOM 925 CD1 TYR A 61 -7.453 4.523 -10.101 1.00 0.00 C ATOM 926 CD2 TYR A 61 -6.520 2.306 -10.412 1.00 0.00 C ATOM 927 CE1 TYR A 61 -8.485 4.214 -10.994 1.00 0.00 C ATOM 928 CE2 TYR A 61 -7.552 1.997 -11.305 1.00 0.00 C ATOM 929 CZ TYR A 61 -8.535 2.950 -11.597 1.00 0.00 C ATOM 930 OH TYR A 61 -9.552 2.645 -12.478 1.00 0.00 O ATOM 0 H TYR A 61 -5.619 5.901 -10.484 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.363 4.721 -8.930 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.006 2.994 -8.354 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.725 4.566 -8.065 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.415 5.497 -9.636 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.762 1.570 -10.187 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.243 4.950 -11.219 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.590 1.023 -11.769 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.228 1.999 -13.140 1.00 0.00 H new ATOM 940 N TYR A 62 -2.573 3.140 -10.696 1.00 0.00 N ATOM 941 CA TYR A 62 -2.090 2.250 -11.789 1.00 0.00 C ATOM 942 C TYR A 62 -1.695 0.890 -11.206 1.00 0.00 C ATOM 943 O TYR A 62 -0.722 0.770 -10.489 1.00 0.00 O ATOM 944 CB TYR A 62 -0.874 2.890 -12.462 1.00 0.00 C ATOM 945 CG TYR A 62 -0.292 1.931 -13.473 1.00 0.00 C ATOM 946 CD1 TYR A 62 -0.795 1.903 -14.778 1.00 0.00 C ATOM 947 CD2 TYR A 62 0.752 1.074 -13.105 1.00 0.00 C ATOM 948 CE1 TYR A 62 -0.255 1.018 -15.718 1.00 0.00 C ATOM 949 CE2 TYR A 62 1.291 0.187 -14.046 1.00 0.00 C ATOM 950 CZ TYR A 62 0.788 0.159 -15.352 1.00 0.00 C ATOM 951 OH TYR A 62 1.320 -0.714 -16.278 1.00 0.00 O ATOM 0 H TYR A 62 -1.912 3.289 -9.934 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.883 2.111 -12.523 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.164 3.819 -12.952 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.124 3.145 -11.714 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.601 2.565 -15.060 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.141 1.097 -12.098 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.643 0.998 -16.726 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.095 -0.476 -13.763 1.00 0.00 H new ATOM 0 HH TYR A 62 2.036 -1.237 -15.861 1.00 0.00 H new ATOM 961 N CYS A 63 -2.444 -0.134 -11.509 1.00 0.00 N ATOM 962 CA CYS A 63 -2.116 -1.487 -10.972 1.00 0.00 C ATOM 963 C CYS A 63 -1.057 -2.146 -11.858 1.00 0.00 C ATOM 964 O CYS A 63 -0.946 -1.854 -13.032 1.00 0.00 O ATOM 965 CB CYS A 63 -3.378 -2.350 -10.959 1.00 0.00 C ATOM 966 SG CYS A 63 -4.290 -2.063 -9.422 1.00 0.00 S ATOM 0 H CYS A 63 -3.270 -0.093 -12.106 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.731 -1.391 -9.957 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -4.005 -2.109 -11.817 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -3.112 -3.403 -11.045 1.00 0.00 H new ATOM 971 N CYS A 64 -0.277 -3.035 -11.304 1.00 0.00 N ATOM 972 CA CYS A 64 0.774 -3.710 -12.117 1.00 0.00 C ATOM 973 C CYS A 64 0.838 -5.193 -11.743 1.00 0.00 C ATOM 974 O CYS A 64 0.214 -5.633 -10.798 1.00 0.00 O ATOM 975 CB CYS A 64 2.130 -3.058 -11.843 1.00 0.00 C ATOM 976 SG CYS A 64 3.199 -3.255 -13.291 1.00 0.00 S ATOM 0 H CYS A 64 -0.322 -3.322 -10.326 1.00 0.00 H new ATOM 0 HA CYS A 64 0.530 -3.612 -13.175 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.998 -2.000 -11.617 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.595 -3.515 -10.970 1.00 0.00 H new ATOM 981 N LYS A 65 1.589 -5.966 -12.477 1.00 0.00 N ATOM 982 CA LYS A 65 1.695 -7.420 -12.164 1.00 0.00 C ATOM 983 C LYS A 65 3.166 -7.842 -12.197 1.00 0.00 C ATOM 984 O LYS A 65 3.500 -8.933 -12.615 1.00 0.00 O ATOM 985 CB LYS A 65 0.908 -8.225 -13.201 1.00 0.00 C ATOM 986 CG LYS A 65 0.395 -9.519 -12.563 1.00 0.00 C ATOM 987 CD LYS A 65 -1.039 -9.784 -13.027 1.00 0.00 C ATOM 988 CE LYS A 65 -1.797 -10.542 -11.936 1.00 0.00 C ATOM 989 NZ LYS A 65 -1.844 -11.992 -12.279 1.00 0.00 N ATOM 0 H LYS A 65 2.134 -5.654 -13.281 1.00 0.00 H new ATOM 0 HA LYS A 65 1.285 -7.609 -11.172 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.071 -7.635 -13.576 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.543 -8.456 -14.056 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.038 -10.354 -12.841 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.428 -9.439 -11.476 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.541 -8.842 -13.246 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.032 -10.364 -13.950 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.307 -10.401 -10.973 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.808 -10.147 -11.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.359 -12.508 -11.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.330 -12.118 -13.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.875 -12.364 -12.350 1.00 0.00 H new ATOM 1003 N LYS A 66 4.048 -6.986 -11.757 1.00 0.00 N ATOM 1004 CA LYS A 66 5.497 -7.336 -11.763 1.00 0.00 C ATOM 1005 C LYS A 66 6.067 -7.159 -10.357 1.00 0.00 C ATOM 1006 O LYS A 66 5.776 -6.197 -9.674 1.00 0.00 O ATOM 1007 CB LYS A 66 6.242 -6.415 -12.727 1.00 0.00 C ATOM 1008 CG LYS A 66 7.258 -7.229 -13.530 1.00 0.00 C ATOM 1009 CD LYS A 66 7.679 -6.437 -14.770 1.00 0.00 C ATOM 1010 CE LYS A 66 8.357 -7.376 -15.768 1.00 0.00 C ATOM 1011 NZ LYS A 66 8.482 -6.692 -17.086 1.00 0.00 N ATOM 0 H LYS A 66 3.827 -6.059 -11.393 1.00 0.00 H new ATOM 0 HA LYS A 66 5.618 -8.371 -12.081 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.536 -5.929 -13.400 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.749 -5.625 -12.173 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.129 -7.452 -12.914 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.823 -8.184 -13.825 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.808 -5.969 -15.229 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.361 -5.635 -14.488 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.342 -7.665 -15.401 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.776 -8.292 -15.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.943 -7.330 -17.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.536 -6.438 -17.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.054 -5.830 -16.977 1.00 0.00 H new ATOM 1025 N ASP A 67 6.883 -8.078 -9.917 1.00 0.00 N ATOM 1026 CA ASP A 67 7.471 -7.952 -8.554 1.00 0.00 C ATOM 1027 C ASP A 67 8.050 -6.546 -8.387 1.00 0.00 C ATOM 1028 O ASP A 67 9.014 -6.178 -9.029 1.00 0.00 O ATOM 1029 CB ASP A 67 8.581 -8.992 -8.367 1.00 0.00 C ATOM 1030 CG ASP A 67 9.267 -9.264 -9.706 1.00 0.00 C ATOM 1031 OD1 ASP A 67 10.158 -8.509 -10.057 1.00 0.00 O ATOM 1032 OD2 ASP A 67 8.889 -10.223 -10.357 1.00 0.00 O ATOM 0 H ASP A 67 7.167 -8.907 -10.440 1.00 0.00 H new ATOM 0 HA ASP A 67 6.697 -8.123 -7.806 1.00 0.00 H new ATOM 0 HB2 ASP A 67 9.310 -8.633 -7.641 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.163 -9.916 -7.968 1.00 0.00 H new ATOM 1037 N LEU A 68 7.460 -5.755 -7.533 1.00 0.00 N ATOM 1038 CA LEU A 68 7.960 -4.369 -7.318 1.00 0.00 C ATOM 1039 C LEU A 68 7.718 -3.537 -8.580 1.00 0.00 C ATOM 1040 O LEU A 68 8.643 -3.075 -9.219 1.00 0.00 O ATOM 1041 CB LEU A 68 9.457 -4.398 -6.999 1.00 0.00 C ATOM 1042 CG LEU A 68 9.704 -5.320 -5.804 1.00 0.00 C ATOM 1043 CD1 LEU A 68 11.198 -5.637 -5.702 1.00 0.00 C ATOM 1044 CD2 LEU A 68 9.242 -4.623 -4.523 1.00 0.00 C ATOM 0 H LEU A 68 6.648 -6.012 -6.972 1.00 0.00 H new ATOM 0 HA LEU A 68 7.426 -3.921 -6.480 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.018 -4.749 -7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.812 -3.392 -6.776 1.00 0.00 H new ATOM 0 HG LEU A 68 9.146 -6.247 -5.938 1.00 0.00 H new ATOM 0 HD11 LEU A 68 11.373 -6.294 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.528 -6.131 -6.616 1.00 0.00 H new ATOM 0 HD13 LEU A 68 11.758 -4.712 -5.568 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.417 -5.278 -3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.801 -3.697 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.178 -4.397 -4.595 1.00 0.00 H new ATOM 1056 N CYS A 69 6.479 -3.342 -8.941 1.00 0.00 N ATOM 1057 CA CYS A 69 6.172 -2.537 -10.157 1.00 0.00 C ATOM 1058 C CYS A 69 6.044 -1.063 -9.767 1.00 0.00 C ATOM 1059 O CYS A 69 6.358 -0.177 -10.536 1.00 0.00 O ATOM 1060 CB CYS A 69 4.851 -3.018 -10.763 1.00 0.00 C ATOM 1061 SG CYS A 69 5.071 -3.332 -12.531 1.00 0.00 S ATOM 0 H CYS A 69 5.665 -3.706 -8.446 1.00 0.00 H new ATOM 0 HA CYS A 69 6.973 -2.655 -10.887 1.00 0.00 H new ATOM 0 HB2 CYS A 69 4.519 -3.927 -10.261 1.00 0.00 H new ATOM 0 HB3 CYS A 69 4.075 -2.268 -10.611 1.00 0.00 H new ATOM 1066 N ASN A 70 5.582 -0.795 -8.576 1.00 0.00 N ATOM 1067 CA ASN A 70 5.429 0.620 -8.134 1.00 0.00 C ATOM 1068 C ASN A 70 6.765 1.134 -7.591 1.00 0.00 C ATOM 1069 O ASN A 70 6.935 1.313 -6.401 1.00 0.00 O ATOM 1070 CB ASN A 70 4.368 0.697 -7.035 1.00 0.00 C ATOM 1071 CG ASN A 70 4.305 2.123 -6.484 1.00 0.00 C ATOM 1072 OD1 ASN A 70 5.014 2.997 -6.944 1.00 0.00 O ATOM 1073 ND2 ASN A 70 3.479 2.398 -5.512 1.00 0.00 N ATOM 0 H ASN A 70 5.304 -1.496 -7.889 1.00 0.00 H new ATOM 0 HA ASN A 70 5.122 1.234 -8.981 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.396 0.406 -7.433 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.607 -0.003 -6.235 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.428 3.346 -5.139 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.884 1.665 -5.126 1.00 0.00 H new ATOM 1080 N PHE A 71 7.710 1.378 -8.456 1.00 0.00 N ATOM 1081 CA PHE A 71 9.033 1.885 -7.991 1.00 0.00 C ATOM 1082 C PHE A 71 9.077 3.401 -8.158 1.00 0.00 C ATOM 1083 O PHE A 71 10.125 3.990 -8.335 1.00 0.00 O ATOM 1084 CB PHE A 71 10.153 1.249 -8.820 1.00 0.00 C ATOM 1085 CG PHE A 71 9.699 1.093 -10.253 1.00 0.00 C ATOM 1086 CD1 PHE A 71 9.143 2.182 -10.938 1.00 0.00 C ATOM 1087 CD2 PHE A 71 9.830 -0.143 -10.897 1.00 0.00 C ATOM 1088 CE1 PHE A 71 8.721 2.036 -12.263 1.00 0.00 C ATOM 1089 CE2 PHE A 71 9.407 -0.289 -12.224 1.00 0.00 C ATOM 1090 CZ PHE A 71 8.852 0.801 -12.907 1.00 0.00 C ATOM 0 H PHE A 71 7.624 1.249 -9.464 1.00 0.00 H new ATOM 0 HA PHE A 71 9.172 1.625 -6.942 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.048 1.870 -8.777 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.419 0.277 -8.405 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.040 3.136 -10.442 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.257 -0.984 -10.371 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.294 2.877 -12.789 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.509 -1.242 -12.721 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.525 0.688 -13.930 1.00 0.00 H new ATOM 1100 N ASN A 72 7.943 4.034 -8.110 1.00 0.00 N ATOM 1101 CA ASN A 72 7.905 5.513 -8.273 1.00 0.00 C ATOM 1102 C ASN A 72 8.524 5.897 -9.618 1.00 0.00 C ATOM 1103 O ASN A 72 9.509 6.606 -9.679 1.00 0.00 O ATOM 1104 CB ASN A 72 8.699 6.170 -7.143 1.00 0.00 C ATOM 1105 CG ASN A 72 7.753 6.981 -6.256 1.00 0.00 C ATOM 1106 OD1 ASN A 72 6.694 6.510 -5.888 1.00 0.00 O ATOM 1107 ND2 ASN A 72 8.092 8.188 -5.894 1.00 0.00 N ATOM 0 H ASN A 72 7.036 3.591 -7.964 1.00 0.00 H new ATOM 0 HA ASN A 72 6.870 5.854 -8.239 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.206 5.408 -6.551 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.471 6.818 -7.557 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.469 8.737 -5.302 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.980 8.583 -6.203 1.00 0.00 H new ATOM 1114 N GLU A 73 7.955 5.437 -10.698 1.00 0.00 N ATOM 1115 CA GLU A 73 8.513 5.780 -12.037 1.00 0.00 C ATOM 1116 C GLU A 73 7.662 5.123 -13.128 1.00 0.00 C ATOM 1117 O GLU A 73 8.162 4.717 -14.158 1.00 0.00 O ATOM 1118 CB GLU A 73 9.954 5.272 -12.136 1.00 0.00 C ATOM 1119 CG GLU A 73 10.922 6.445 -11.968 1.00 0.00 C ATOM 1120 CD GLU A 73 12.060 6.317 -12.981 1.00 0.00 C ATOM 1121 OE1 GLU A 73 11.770 6.060 -14.138 1.00 0.00 O ATOM 1122 OE2 GLU A 73 13.202 6.479 -12.584 1.00 0.00 O ATOM 0 H GLU A 73 7.129 4.839 -10.712 1.00 0.00 H new ATOM 0 HA GLU A 73 8.501 6.862 -12.170 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.139 4.521 -11.368 1.00 0.00 H new ATOM 0 HB3 GLU A 73 10.115 4.789 -13.100 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.396 7.388 -12.114 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.323 6.457 -10.954 1.00 0.00 H new ATOM 1129 N GLN A 74 6.380 5.021 -12.909 1.00 0.00 N ATOM 1130 CA GLN A 74 5.497 4.394 -13.934 1.00 0.00 C ATOM 1131 C GLN A 74 4.492 5.431 -14.437 1.00 0.00 C ATOM 1132 O GLN A 74 4.610 5.943 -15.532 1.00 0.00 O ATOM 1133 CB GLN A 74 4.743 3.217 -13.311 1.00 0.00 C ATOM 1134 CG GLN A 74 5.537 1.928 -13.532 1.00 0.00 C ATOM 1135 CD GLN A 74 4.635 0.721 -13.270 1.00 0.00 C ATOM 1136 OE1 GLN A 74 4.820 -0.329 -13.852 1.00 0.00 O ATOM 1137 NE2 GLN A 74 3.658 0.825 -12.411 1.00 0.00 N ATOM 0 H GLN A 74 5.906 5.344 -12.066 1.00 0.00 H new ATOM 0 HA GLN A 74 6.103 4.036 -14.766 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.597 3.388 -12.245 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.753 3.128 -13.758 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.920 1.895 -14.552 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.400 1.902 -12.867 1.00 0.00 H new ATOM 0 HE21 GLN A 74 3.501 1.706 -11.921 1.00 0.00 H new ATOM 0 HE22 GLN A 74 3.051 0.025 -12.229 1.00 0.00 H new ATOM 1146 N LEU A 75 3.504 5.747 -13.644 1.00 0.00 N ATOM 1147 CA LEU A 75 2.495 6.753 -14.078 1.00 0.00 C ATOM 1148 C LEU A 75 3.195 8.085 -14.356 1.00 0.00 C ATOM 1149 O LEU A 75 3.032 8.674 -15.407 1.00 0.00 O ATOM 1150 CB LEU A 75 1.456 6.944 -12.970 1.00 0.00 C ATOM 1151 CG LEU A 75 0.187 6.167 -13.321 1.00 0.00 C ATOM 1152 CD1 LEU A 75 -0.793 6.237 -12.148 1.00 0.00 C ATOM 1153 CD2 LEU A 75 -0.462 6.782 -14.563 1.00 0.00 C ATOM 0 H LEU A 75 3.353 5.352 -12.716 1.00 0.00 H new ATOM 0 HA LEU A 75 1.999 6.405 -14.984 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.856 6.596 -12.018 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.226 8.003 -12.851 1.00 0.00 H new ATOM 0 HG LEU A 75 0.442 5.127 -13.522 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.698 5.683 -12.397 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.332 5.800 -11.262 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.048 7.278 -11.948 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.367 6.228 -14.813 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.718 7.822 -14.363 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.235 6.734 -15.399 1.00 0.00 H new ATOM 1165 N GLU A 76 3.974 8.564 -13.425 1.00 0.00 N ATOM 1166 CA GLU A 76 4.685 9.856 -13.639 1.00 0.00 C ATOM 1167 C GLU A 76 5.280 9.881 -15.049 1.00 0.00 C ATOM 1168 O GLU A 76 6.245 9.202 -15.338 1.00 0.00 O ATOM 1169 CB GLU A 76 5.807 9.998 -12.607 1.00 0.00 C ATOM 1170 CG GLU A 76 5.641 11.318 -11.852 1.00 0.00 C ATOM 1171 CD GLU A 76 6.377 12.431 -12.600 1.00 0.00 C ATOM 1172 OE1 GLU A 76 6.947 12.143 -13.640 1.00 0.00 O ATOM 1173 OE2 GLU A 76 6.358 13.552 -12.121 1.00 0.00 O ATOM 0 H GLU A 76 4.149 8.116 -12.525 1.00 0.00 H new ATOM 0 HA GLU A 76 3.983 10.682 -13.526 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.781 9.162 -11.909 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.777 9.970 -13.103 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.584 11.565 -11.759 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.036 11.223 -10.841 1.00 0.00 H new ATOM 1180 N ASN A 77 4.709 10.658 -15.930 1.00 0.00 N ATOM 1181 CA ASN A 77 5.239 10.724 -17.322 1.00 0.00 C ATOM 1182 C ASN A 77 5.256 9.320 -17.928 1.00 0.00 C ATOM 1183 O ASN A 77 6.257 8.640 -17.771 1.00 0.00 O ATOM 1184 CB ASN A 77 6.662 11.288 -17.303 1.00 0.00 C ATOM 1185 CG ASN A 77 6.792 12.381 -18.367 1.00 0.00 C ATOM 1186 OD1 ASN A 77 7.753 12.412 -19.110 1.00 0.00 O ATOM 1187 ND2 ASN A 77 5.858 13.288 -18.471 1.00 0.00 N ATOM 1188 OXT ASN A 77 4.267 8.948 -18.538 1.00 0.00 O ATOM 0 H ASN A 77 3.899 11.250 -15.746 1.00 0.00 H new ATOM 0 HA ASN A 77 4.600 11.372 -17.922 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.890 11.695 -16.318 1.00 0.00 H new ATOM 0 HB3 ASN A 77 7.382 10.493 -17.494 1.00 0.00 H new ATOM 0 HD21 ASN A 77 5.936 14.022 -19.175 1.00 0.00 H new ATOM 0 HD22 ASN A 77 5.051 13.263 -17.848 1.00 0.00 H new TER 1195 ASN A 77 HETATM 1196 C1 NAG A 78 10.140 -10.920 0.671 1.00 0.00 C HETATM 1197 C2 NAG A 78 10.918 -9.625 0.466 1.00 0.00 C HETATM 1198 C3 NAG A 78 12.365 -9.860 0.857 1.00 0.00 C HETATM 1199 C4 NAG A 78 12.400 -10.302 2.310 1.00 0.00 C HETATM 1200 C5 NAG A 78 11.582 -11.580 2.458 1.00 0.00 C HETATM 1201 C6 NAG A 78 11.542 -12.097 3.883 1.00 0.00 C HETATM 1202 C7 NAG A 78 11.053 -7.959 -1.240 1.00 0.00 C HETATM 1203 C8 NAG A 78 10.960 -7.587 -2.711 1.00 0.00 C HETATM 1204 N2 NAG A 78 10.841 -9.207 -0.920 1.00 0.00 N HETATM 1205 O3 NAG A 78 13.117 -8.668 0.685 1.00 0.00 O HETATM 1206 O4 NAG A 78 13.759 -10.535 2.724 1.00 0.00 O HETATM 1207 O5 NAG A 78 10.217 -11.341 2.043 1.00 0.00 O HETATM 1208 O6 NAG A 78 10.556 -13.140 4.003 1.00 0.00 O HETATM 1209 O7 NAG A 78 11.316 -7.129 -0.391 1.00 0.00 O HETATM 0 HO3 NAG A 78 12.510 -7.899 0.666 1.00 0.00 H new HETATM 0 HN2 NAG A 78 10.621 -9.889 -1.646 1.00 0.00 H new HETATM 0 H83 NAG A 78 11.695 -8.159 -3.278 1.00 0.00 H new HETATM 0 H82 NAG A 78 9.960 -7.813 -3.081 1.00 0.00 H new HETATM 0 H81 NAG A 78 11.158 -6.522 -2.830 1.00 0.00 H new HETATM 0 H62 NAG A 78 12.523 -12.478 4.168 1.00 0.00 H new HETATM 0 H61 NAG A 78 11.306 -11.282 4.567 1.00 0.00 H new HETATM 0 H5 NAG A 78 12.070 -12.327 1.832 1.00 0.00 H new HETATM 0 H4 NAG A 78 11.976 -9.520 2.940 1.00 0.00 H new HETATM 0 H3 NAG A 78 12.804 -10.631 0.224 1.00 0.00 H new HETATM 0 H2 NAG A 78 10.489 -8.838 1.086 1.00 0.00 H new HETATM 1222 C1 NAG A 79 14.424 -11.568 2.084 1.00 0.00 C HETATM 1223 C2 NAG A 79 15.919 -11.465 2.351 1.00 0.00 C HETATM 1224 C3 NAG A 79 16.618 -12.624 1.664 1.00 0.00 C HETATM 1225 C4 NAG A 79 16.047 -13.917 2.221 1.00 0.00 C HETATM 1226 C5 NAG A 79 14.545 -13.950 1.953 1.00 0.00 C HETATM 1227 C6 NAG A 79 13.877 -15.202 2.487 1.00 0.00 C HETATM 1228 C7 NAG A 79 17.125 -9.425 2.639 1.00 0.00 C HETATM 1229 C8 NAG A 79 17.633 -8.117 2.057 1.00 0.00 C HETATM 1230 N2 NAG A 79 16.431 -10.203 1.854 1.00 0.00 N HETATM 1231 O3 NAG A 79 18.016 -12.559 1.899 1.00 0.00 O HETATM 1232 O4 NAG A 79 16.678 -15.031 1.604 1.00 0.00 O HETATM 1233 O5 NAG A 79 13.908 -12.813 2.582 1.00 0.00 O HETATM 1234 O6 NAG A 79 12.715 -15.524 1.738 1.00 0.00 O HETATM 1235 O7 NAG A 79 17.353 -9.738 3.791 1.00 0.00 O HETATM 0 HO6 NAG A 79 12.305 -16.336 2.103 1.00 0.00 H new HETATM 0 HO4 NAG A 79 16.843 -15.726 2.275 1.00 0.00 H new HETATM 0 HO3 NAG A 79 18.381 -13.467 1.952 1.00 0.00 H new HETATM 0 HN2 NAG A 79 16.249 -9.923 0.890 1.00 0.00 H new HETATM 0 H83 NAG A 79 18.284 -8.325 1.208 1.00 0.00 H new HETATM 0 H82 NAG A 79 16.788 -7.513 1.726 1.00 0.00 H new HETATM 0 H81 NAG A 79 18.192 -7.573 2.818 1.00 0.00 H new HETATM 0 H62 NAG A 79 14.579 -16.035 2.451 1.00 0.00 H new HETATM 0 H61 NAG A 79 13.609 -15.056 3.534 1.00 0.00 H new HETATM 0 H5 NAG A 79 14.429 -13.929 0.869 1.00 0.00 H new HETATM 0 H4 NAG A 79 16.228 -13.967 3.295 1.00 0.00 H new HETATM 0 H3 NAG A 79 16.455 -12.578 0.587 1.00 0.00 H new HETATM 0 H2 NAG A 79 16.105 -11.508 3.424 1.00 0.00 H new HETATM 1250 C1 FUC A 80 10.322 -13.479 5.339 1.00 0.00 C HETATM 1251 C2 FUC A 80 8.821 -13.618 5.559 1.00 0.00 C HETATM 1252 C3 FUC A 80 8.305 -14.769 4.710 1.00 0.00 C HETATM 1253 C4 FUC A 80 9.039 -16.032 5.132 1.00 0.00 C HETATM 1254 C5 FUC A 80 10.536 -15.826 4.918 1.00 0.00 C HETATM 1255 C6 FUC A 80 11.366 -17.025 5.335 1.00 0.00 C HETATM 1256 O2 FUC A 80 8.165 -12.413 5.194 1.00 0.00 O HETATM 1257 O3 FUC A 80 6.906 -14.924 4.898 1.00 0.00 O HETATM 1258 O4 FUC A 80 8.774 -16.315 6.497 1.00 0.00 O HETATM 1259 O5 FUC A 80 10.982 -14.694 5.694 1.00 0.00 O HETATM 0 HO4 FUC A 80 9.439 -15.865 7.059 1.00 0.00 H new HETATM 0 HO3 FUC A 80 6.742 -15.568 5.618 1.00 0.00 H new HETATM 0 HO2 FUC A 80 8.689 -11.950 4.507 1.00 0.00 H new HETATM 0 H63 FUC A 80 11.208 -17.226 6.395 1.00 0.00 H new HETATM 0 H62 FUC A 80 11.066 -17.896 4.752 1.00 0.00 H new HETATM 0 H61 FUC A 80 12.421 -16.816 5.158 1.00 0.00 H new HETATM 0 H5 FUC A 80 10.676 -15.668 3.849 1.00 0.00 H new HETATM 0 H4 FUC A 80 8.696 -16.876 4.533 1.00 0.00 H new HETATM 0 H3 FUC A 80 8.483 -14.570 3.653 1.00 0.00 H new HETATM 0 H2 FUC A 80 8.619 -13.819 6.611 1.00 0.00 H new