USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 SER OG : rot 119:sc= 0.179 USER MOD Set 1.2: A 65 GLN : amide:sc= -0.758 X(o=-0.58,f=-0.31) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.233 USER MOD Single : A 15 THR OG1 : rot 177:sc= 0.563 USER MOD Single : A 16 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-1.6) USER MOD Single : A 17 LYS NZ :NH3+ -169:sc= -0.971 (180deg=-1.1) USER MOD Single : A 18 CYS SG : rot -100:sc= 1.27 USER MOD Single : A 28 ASN : amide:sc= 0.0855 K(o=0.085,f=-2.8!) USER MOD Single : A 30 LYS NZ :NH3+ 164:sc= 1.23 (180deg=0.888) USER MOD Single : A 33 ASN : amide:sc= 0.0416 K(o=0.042,f=-1.5!) USER MOD Single : A 34 GLN :FLIP amide:sc=-0.00362 F(o=-1.2,f=-0.0036) USER MOD Single : A 35 GLN : amide:sc= -0.0483 K(o=-0.048,f=-0.76) USER MOD Single : A 36 THR OG1 : rot -87:sc= 1.14 USER MOD Single : A 43 SER OG : rot 180:sc= 0.135 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.0539 X(o=-0.054,f=-0.41) USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= -0.0538 (180deg=-0.319) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=-0.0052) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 76 LYS NZ :NH3+ 176:sc= 0.879 (180deg=0.858) USER MOD Single : A 82 CYS SG : rot 180:sc= 0.113 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -3.246 -9.657 -10.873 1.00 0.00 N ATOM 2 CA GLY A 7 -2.144 -8.737 -11.040 1.00 0.00 C ATOM 3 C GLY A 7 -1.946 -7.835 -9.846 1.00 0.00 C ATOM 4 O GLY A 7 -2.067 -8.267 -8.701 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.229 -9.302 -11.218 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.318 -8.126 -11.926 1.00 0.00 H new ATOM 8 N GLU A 8 -1.625 -6.584 -10.119 1.00 0.00 N ATOM 9 CA GLU A 8 -1.345 -5.614 -9.074 1.00 0.00 C ATOM 10 C GLU A 8 -2.612 -4.861 -8.671 1.00 0.00 C ATOM 11 O GLU A 8 -3.480 -4.593 -9.506 1.00 0.00 O ATOM 12 CB GLU A 8 -0.292 -4.601 -9.543 1.00 0.00 C ATOM 13 CG GLU A 8 1.039 -5.205 -9.979 1.00 0.00 C ATOM 14 CD GLU A 8 0.947 -5.991 -11.271 1.00 0.00 C ATOM 15 OE1 GLU A 8 0.401 -5.460 -12.256 1.00 0.00 O ATOM 16 OE2 GLU A 8 1.423 -7.146 -11.302 1.00 0.00 O ATOM 0 H GLU A 8 -1.551 -6.212 -11.066 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.965 -6.163 -8.213 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.704 -4.031 -10.375 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.105 -3.894 -8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.770 -4.406 -10.100 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.409 -5.859 -9.190 1.00 0.00 H new ATOM 23 N MET A 9 -2.716 -4.537 -7.392 1.00 0.00 N ATOM 24 CA MET A 9 -3.743 -3.622 -6.912 1.00 0.00 C ATOM 25 C MET A 9 -3.079 -2.427 -6.258 1.00 0.00 C ATOM 26 O MET A 9 -2.320 -2.575 -5.301 1.00 0.00 O ATOM 27 CB MET A 9 -4.684 -4.307 -5.920 1.00 0.00 C ATOM 28 CG MET A 9 -5.614 -5.324 -6.559 1.00 0.00 C ATOM 29 SD MET A 9 -6.741 -4.584 -7.758 1.00 0.00 S ATOM 30 CE MET A 9 -7.611 -6.037 -8.340 1.00 0.00 C ATOM 0 H MET A 9 -2.099 -4.895 -6.663 1.00 0.00 H new ATOM 0 HA MET A 9 -4.341 -3.296 -7.763 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.089 -4.804 -5.153 1.00 0.00 H new ATOM 0 HB3 MET A 9 -5.282 -3.547 -5.417 1.00 0.00 H new ATOM 0 HG2 MET A 9 -5.020 -6.093 -7.052 1.00 0.00 H new ATOM 0 HG3 MET A 9 -6.194 -5.819 -5.780 1.00 0.00 H new ATOM 0 HE1 MET A 9 -8.346 -5.745 -9.090 1.00 0.00 H new ATOM 0 HE2 MET A 9 -6.899 -6.734 -8.782 1.00 0.00 H new ATOM 0 HE3 MET A 9 -8.118 -6.517 -7.503 1.00 0.00 H new ATOM 40 N THR A 10 -3.334 -1.249 -6.791 1.00 0.00 N ATOM 41 CA THR A 10 -2.701 -0.045 -6.294 1.00 0.00 C ATOM 42 C THR A 10 -3.641 0.705 -5.355 1.00 0.00 C ATOM 43 O THR A 10 -4.851 0.711 -5.550 1.00 0.00 O ATOM 44 CB THR A 10 -2.283 0.864 -7.467 1.00 0.00 C ATOM 45 OG1 THR A 10 -1.578 0.086 -8.446 1.00 0.00 O ATOM 46 CG2 THR A 10 -1.393 2.005 -6.993 1.00 0.00 C ATOM 0 H THR A 10 -3.976 -1.100 -7.569 1.00 0.00 H new ATOM 0 HA THR A 10 -1.809 -0.330 -5.737 1.00 0.00 H new ATOM 0 HB THR A 10 -3.185 1.292 -7.904 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.313 0.662 -9.193 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.116 2.628 -7.844 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.933 2.608 -6.263 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.493 1.597 -6.533 1.00 0.00 H new ATOM 54 N PHE A 11 -3.084 1.296 -4.315 1.00 0.00 N ATOM 55 CA PHE A 11 -3.855 2.118 -3.395 1.00 0.00 C ATOM 56 C PHE A 11 -3.145 3.449 -3.202 1.00 0.00 C ATOM 57 O PHE A 11 -2.042 3.635 -3.706 1.00 0.00 O ATOM 58 CB PHE A 11 -4.036 1.397 -2.054 1.00 0.00 C ATOM 59 CG PHE A 11 -4.788 0.100 -2.172 1.00 0.00 C ATOM 60 CD1 PHE A 11 -6.173 0.087 -2.242 1.00 0.00 C ATOM 61 CD2 PHE A 11 -4.108 -1.105 -2.218 1.00 0.00 C ATOM 62 CE1 PHE A 11 -6.863 -1.102 -2.361 1.00 0.00 C ATOM 63 CE2 PHE A 11 -4.794 -2.299 -2.335 1.00 0.00 C ATOM 64 CZ PHE A 11 -6.172 -2.297 -2.407 1.00 0.00 C ATOM 0 H PHE A 11 -2.093 1.223 -4.083 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.846 2.299 -3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.056 1.202 -1.619 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.566 2.054 -1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.718 1.019 -2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.029 -1.112 -2.162 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.941 -1.098 -2.418 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.252 -3.233 -2.370 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.710 -3.229 -2.499 1.00 0.00 H new ATOM 74 N SER A 12 -3.766 4.375 -2.496 1.00 0.00 N ATOM 75 CA SER A 12 -3.187 5.698 -2.324 1.00 0.00 C ATOM 76 C SER A 12 -2.684 5.890 -0.894 1.00 0.00 C ATOM 77 O SER A 12 -3.465 5.849 0.060 1.00 0.00 O ATOM 78 CB SER A 12 -4.214 6.775 -2.684 1.00 0.00 C ATOM 79 OG SER A 12 -3.634 8.069 -2.653 1.00 0.00 O ATOM 0 H SER A 12 -4.665 4.239 -2.034 1.00 0.00 H new ATOM 0 HA SER A 12 -2.334 5.791 -2.996 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.618 6.578 -3.677 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.050 6.732 -1.986 1.00 0.00 H new ATOM 0 HG SER A 12 -4.312 8.737 -2.888 1.00 0.00 H new ATOM 85 N ILE A 13 -1.377 6.087 -0.754 1.00 0.00 N ATOM 86 CA ILE A 13 -0.769 6.328 0.545 1.00 0.00 C ATOM 87 C ILE A 13 -0.254 7.761 0.645 1.00 0.00 C ATOM 88 O ILE A 13 0.681 8.156 -0.050 1.00 0.00 O ATOM 89 CB ILE A 13 0.389 5.345 0.828 1.00 0.00 C ATOM 90 CG1 ILE A 13 -0.154 3.928 1.035 1.00 0.00 C ATOM 91 CG2 ILE A 13 1.191 5.791 2.046 1.00 0.00 C ATOM 92 CD1 ILE A 13 -1.003 3.778 2.282 1.00 0.00 C ATOM 0 H ILE A 13 -0.717 6.084 -1.531 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.546 6.169 1.293 1.00 0.00 H new ATOM 0 HB ILE A 13 1.054 5.341 -0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.748 3.645 0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.683 3.232 1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.001 5.084 2.227 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.607 6.782 1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.538 5.826 2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.352 2.749 2.363 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.408 4.029 3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.860 4.448 2.221 1.00 0.00 H new ATOM 104 N PRO A 14 -0.906 8.561 1.492 1.00 0.00 N ATOM 105 CA PRO A 14 -0.492 9.932 1.803 1.00 0.00 C ATOM 106 C PRO A 14 1.007 10.095 2.032 1.00 0.00 C ATOM 107 O PRO A 14 1.634 9.298 2.734 1.00 0.00 O ATOM 108 CB PRO A 14 -1.227 10.178 3.105 1.00 0.00 C ATOM 109 CG PRO A 14 -2.516 9.474 2.909 1.00 0.00 C ATOM 110 CD PRO A 14 -2.150 8.201 2.200 1.00 0.00 C ATOM 0 HA PRO A 14 -0.713 10.616 0.984 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.677 9.780 3.958 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.374 11.242 3.289 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.005 9.270 3.862 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.208 10.072 2.317 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.993 7.380 2.900 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.931 7.885 1.508 1.00 0.00 H new ATOM 118 N THR A 15 1.547 11.168 1.472 1.00 0.00 N ATOM 119 CA THR A 15 2.956 11.518 1.602 1.00 0.00 C ATOM 120 C THR A 15 3.362 11.724 3.074 1.00 0.00 C ATOM 121 O THR A 15 4.541 11.683 3.412 1.00 0.00 O ATOM 122 CB THR A 15 3.237 12.796 0.775 1.00 0.00 C ATOM 123 OG1 THR A 15 2.858 12.571 -0.589 1.00 0.00 O ATOM 124 CG2 THR A 15 4.697 13.210 0.817 1.00 0.00 C ATOM 0 H THR A 15 1.013 11.829 0.907 1.00 0.00 H new ATOM 0 HA THR A 15 3.555 10.691 1.221 1.00 0.00 H new ATOM 0 HB THR A 15 2.651 13.602 1.217 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.984 13.395 -1.104 1.00 0.00 H new ATOM 0 HG21 THR A 15 4.837 14.111 0.220 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.989 13.408 1.848 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.314 12.408 0.413 1.00 0.00 H new ATOM 132 N HIS A 16 2.383 11.926 3.955 1.00 0.00 N ATOM 133 CA HIS A 16 2.675 12.095 5.378 1.00 0.00 C ATOM 134 C HIS A 16 2.592 10.763 6.130 1.00 0.00 C ATOM 135 O HIS A 16 3.136 10.632 7.223 1.00 0.00 O ATOM 136 CB HIS A 16 1.738 13.128 6.032 1.00 0.00 C ATOM 137 CG HIS A 16 0.309 12.696 6.146 1.00 0.00 C ATOM 138 ND1 HIS A 16 -0.624 12.930 5.166 1.00 0.00 N ATOM 139 CD2 HIS A 16 -0.346 12.051 7.139 1.00 0.00 C ATOM 140 CE1 HIS A 16 -1.788 12.442 5.543 1.00 0.00 C ATOM 141 NE2 HIS A 16 -1.648 11.904 6.737 1.00 0.00 N ATOM 0 H HIS A 16 1.393 11.976 3.713 1.00 0.00 H new ATOM 0 HA HIS A 16 3.697 12.468 5.446 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.114 13.359 7.029 1.00 0.00 H new ATOM 0 HB3 HIS A 16 1.779 14.052 5.454 1.00 0.00 H new ATOM 0 HD2 HIS A 16 0.078 11.715 8.074 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.703 12.477 4.970 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -2.388 11.452 7.275 1.00 0.00 H new ATOM 150 N LYS A 17 1.906 9.774 5.555 1.00 0.00 N ATOM 151 CA LYS A 17 1.771 8.471 6.214 1.00 0.00 C ATOM 152 C LYS A 17 2.821 7.491 5.716 1.00 0.00 C ATOM 153 O LYS A 17 2.821 6.317 6.108 1.00 0.00 O ATOM 154 CB LYS A 17 0.371 7.880 6.013 1.00 0.00 C ATOM 155 CG LYS A 17 -0.729 8.767 6.566 1.00 0.00 C ATOM 156 CD LYS A 17 -2.036 8.021 6.788 1.00 0.00 C ATOM 157 CE LYS A 17 -2.491 7.280 5.544 1.00 0.00 C ATOM 158 NZ LYS A 17 -3.976 7.200 5.462 1.00 0.00 N ATOM 0 H LYS A 17 1.442 9.846 4.650 1.00 0.00 H new ATOM 0 HA LYS A 17 1.924 8.637 7.280 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.200 7.718 4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.321 6.904 6.496 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.399 9.200 7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.901 9.595 5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.913 7.312 7.607 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.809 8.727 7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.104 7.784 4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.072 6.274 5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.247 6.535 4.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.357 6.868 6.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.363 8.141 5.248 1.00 0.00 H new ATOM 172 N CYS A 18 3.744 7.992 4.898 1.00 0.00 N ATOM 173 CA CYS A 18 4.793 7.165 4.314 1.00 0.00 C ATOM 174 C CYS A 18 5.838 6.771 5.364 1.00 0.00 C ATOM 175 O CYS A 18 6.945 6.350 5.034 1.00 0.00 O ATOM 176 CB CYS A 18 5.454 7.884 3.134 1.00 0.00 C ATOM 177 SG CYS A 18 6.417 9.341 3.593 1.00 0.00 S ATOM 0 H CYS A 18 3.785 8.974 4.624 1.00 0.00 H new ATOM 0 HA CYS A 18 4.331 6.250 3.944 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.106 7.181 2.615 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.680 8.183 2.427 1.00 0.00 H new ATOM 0 HG CYS A 18 5.715 10.413 3.372 1.00 0.00 H new ATOM 183 N GLY A 19 5.470 6.903 6.631 1.00 0.00 N ATOM 184 CA GLY A 19 6.345 6.511 7.708 1.00 0.00 C ATOM 185 C GLY A 19 5.698 5.498 8.635 1.00 0.00 C ATOM 186 O GLY A 19 6.360 4.583 9.119 1.00 0.00 O ATOM 0 H GLY A 19 4.570 7.279 6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.261 6.089 7.294 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.631 7.393 8.280 1.00 0.00 H new ATOM 190 N LEU A 20 4.396 5.642 8.870 1.00 0.00 N ATOM 191 CA LEU A 20 3.700 4.759 9.804 1.00 0.00 C ATOM 192 C LEU A 20 3.364 3.421 9.150 1.00 0.00 C ATOM 193 O LEU A 20 3.464 2.370 9.787 1.00 0.00 O ATOM 194 CB LEU A 20 2.437 5.432 10.377 1.00 0.00 C ATOM 195 CG LEU A 20 1.291 5.698 9.400 1.00 0.00 C ATOM 196 CD1 LEU A 20 0.277 4.569 9.459 1.00 0.00 C ATOM 197 CD2 LEU A 20 0.621 7.027 9.715 1.00 0.00 C ATOM 0 H LEU A 20 3.808 6.352 8.433 1.00 0.00 H new ATOM 0 HA LEU A 20 4.375 4.562 10.637 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.056 4.807 11.184 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.731 6.383 10.822 1.00 0.00 H new ATOM 0 HG LEU A 20 1.700 5.748 8.391 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.534 4.771 8.759 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.762 3.630 9.192 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.126 4.495 10.469 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.192 7.201 9.010 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.223 7.002 10.729 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.352 7.832 9.631 1.00 0.00 H new ATOM 209 N VAL A 21 2.978 3.452 7.877 1.00 0.00 N ATOM 210 CA VAL A 21 2.659 2.215 7.164 1.00 0.00 C ATOM 211 C VAL A 21 3.859 1.721 6.399 1.00 0.00 C ATOM 212 O VAL A 21 3.974 0.538 6.085 1.00 0.00 O ATOM 213 CB VAL A 21 1.513 2.376 6.153 1.00 0.00 C ATOM 214 CG1 VAL A 21 0.390 1.414 6.476 1.00 0.00 C ATOM 215 CG2 VAL A 21 1.013 3.806 6.106 1.00 0.00 C ATOM 0 H VAL A 21 2.879 4.304 7.324 1.00 0.00 H new ATOM 0 HA VAL A 21 2.353 1.508 7.935 1.00 0.00 H new ATOM 0 HB VAL A 21 1.898 2.136 5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.415 1.539 5.752 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.763 0.391 6.431 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.012 1.619 7.478 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.203 3.885 5.381 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.648 4.096 7.091 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.828 4.467 5.812 1.00 0.00 H new ATOM 225 N ILE A 22 4.743 2.639 6.086 1.00 0.00 N ATOM 226 CA ILE A 22 5.880 2.329 5.257 1.00 0.00 C ATOM 227 C ILE A 22 7.071 2.008 6.144 1.00 0.00 C ATOM 228 O ILE A 22 7.534 0.870 6.183 1.00 0.00 O ATOM 229 CB ILE A 22 6.217 3.489 4.282 1.00 0.00 C ATOM 230 CG1 ILE A 22 5.086 3.725 3.250 1.00 0.00 C ATOM 231 CG2 ILE A 22 7.526 3.207 3.556 1.00 0.00 C ATOM 232 CD1 ILE A 22 3.725 4.118 3.824 1.00 0.00 C ATOM 0 H ILE A 22 4.695 3.610 6.395 1.00 0.00 H new ATOM 0 HA ILE A 22 5.635 1.462 4.644 1.00 0.00 H new ATOM 0 HB ILE A 22 6.319 4.395 4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.407 4.507 2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.961 2.815 2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.749 4.029 2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.332 3.109 4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.435 2.281 2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.013 4.257 3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.369 3.330 4.487 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.821 5.048 4.384 1.00 0.00 H new ATOM 244 N GLY A 23 7.529 2.999 6.894 1.00 0.00 N ATOM 245 CA GLY A 23 8.617 2.788 7.826 1.00 0.00 C ATOM 246 C GLY A 23 9.781 3.710 7.548 1.00 0.00 C ATOM 247 O GLY A 23 9.648 4.656 6.774 1.00 0.00 O ATOM 0 H GLY A 23 7.164 3.951 6.873 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.261 2.949 8.843 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.951 1.752 7.766 1.00 0.00 H new ATOM 251 N ARG A 24 10.918 3.441 8.177 1.00 0.00 N ATOM 252 CA ARG A 24 12.127 4.223 7.939 1.00 0.00 C ATOM 253 C ARG A 24 12.642 3.957 6.530 1.00 0.00 C ATOM 254 O ARG A 24 12.835 4.876 5.738 1.00 0.00 O ATOM 255 CB ARG A 24 13.194 3.874 8.981 1.00 0.00 C ATOM 256 CG ARG A 24 12.752 4.144 10.412 1.00 0.00 C ATOM 257 CD ARG A 24 13.746 3.591 11.418 1.00 0.00 C ATOM 258 NE ARG A 24 15.070 4.193 11.277 1.00 0.00 N ATOM 259 CZ ARG A 24 16.208 3.524 11.448 1.00 0.00 C ATOM 260 NH1 ARG A 24 16.184 2.220 11.702 1.00 0.00 N ATOM 261 NH2 ARG A 24 17.372 4.154 11.347 1.00 0.00 N ATOM 0 H ARG A 24 11.030 2.688 8.856 1.00 0.00 H new ATOM 0 HA ARG A 24 11.894 5.284 8.031 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.457 2.821 8.882 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.096 4.449 8.773 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.640 5.218 10.562 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.773 3.695 10.582 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.375 3.768 12.427 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.825 2.511 11.292 1.00 0.00 H new ATOM 0 HE ARG A 24 15.125 5.182 11.034 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.292 1.729 11.766 1.00 0.00 H new ATOM 0 HH12 ARG A 24 17.057 1.710 11.833 1.00 0.00 H new ATOM 0 HH21 ARG A 24 17.395 5.152 11.138 1.00 0.00 H new ATOM 0 HH22 ARG A 24 18.243 3.640 11.478 1.00 0.00 H new ATOM 275 N GLY A 25 12.850 2.686 6.229 1.00 0.00 N ATOM 276 CA GLY A 25 13.201 2.277 4.884 1.00 0.00 C ATOM 277 C GLY A 25 12.241 1.223 4.380 1.00 0.00 C ATOM 278 O GLY A 25 12.610 0.341 3.603 1.00 0.00 O ATOM 0 H GLY A 25 12.781 1.921 6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.183 3.141 4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.218 1.886 4.871 1.00 0.00 H new ATOM 282 N GLY A 26 10.997 1.328 4.828 1.00 0.00 N ATOM 283 CA GLY A 26 10.000 0.323 4.521 1.00 0.00 C ATOM 284 C GLY A 26 9.983 -0.779 5.566 1.00 0.00 C ATOM 285 O GLY A 26 9.883 -1.961 5.243 1.00 0.00 O ATOM 0 H GLY A 26 10.659 2.099 5.404 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.016 0.789 4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.204 -0.107 3.540 1.00 0.00 H new ATOM 289 N GLU A 27 10.068 -0.372 6.828 1.00 0.00 N ATOM 290 CA GLU A 27 10.132 -1.303 7.949 1.00 0.00 C ATOM 291 C GLU A 27 8.810 -2.049 8.121 1.00 0.00 C ATOM 292 O GLU A 27 8.791 -3.226 8.478 1.00 0.00 O ATOM 293 CB GLU A 27 10.464 -0.542 9.237 1.00 0.00 C ATOM 294 CG GLU A 27 10.881 -1.433 10.398 1.00 0.00 C ATOM 295 CD GLU A 27 12.271 -2.007 10.220 1.00 0.00 C ATOM 296 OE1 GLU A 27 13.169 -1.260 9.782 1.00 0.00 O ATOM 297 OE2 GLU A 27 12.479 -3.198 10.531 1.00 0.00 O ATOM 0 H GLU A 27 10.094 0.610 7.102 1.00 0.00 H new ATOM 0 HA GLU A 27 10.914 -2.033 7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.266 0.166 9.031 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.593 0.041 9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.845 -0.858 11.324 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.165 -2.249 10.501 1.00 0.00 H new ATOM 304 N ASN A 28 7.705 -1.367 7.858 1.00 0.00 N ATOM 305 CA ASN A 28 6.391 -1.959 8.075 1.00 0.00 C ATOM 306 C ASN A 28 5.930 -2.744 6.852 1.00 0.00 C ATOM 307 O ASN A 28 5.393 -3.844 6.982 1.00 0.00 O ATOM 308 CB ASN A 28 5.359 -0.885 8.441 1.00 0.00 C ATOM 309 CG ASN A 28 3.984 -1.469 8.724 1.00 0.00 C ATOM 310 OD1 ASN A 28 3.703 -1.916 9.835 1.00 0.00 O ATOM 311 ND2 ASN A 28 3.110 -1.440 7.733 1.00 0.00 N ATOM 0 H ASN A 28 7.690 -0.413 7.498 1.00 0.00 H new ATOM 0 HA ASN A 28 6.477 -2.653 8.911 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.705 -0.338 9.318 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.284 -0.166 7.626 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.165 -1.796 7.876 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.381 -1.061 6.825 1.00 0.00 H new ATOM 318 N VAL A 29 6.170 -2.193 5.666 1.00 0.00 N ATOM 319 CA VAL A 29 5.680 -2.798 4.427 1.00 0.00 C ATOM 320 C VAL A 29 6.294 -4.172 4.178 1.00 0.00 C ATOM 321 O VAL A 29 5.645 -5.052 3.612 1.00 0.00 O ATOM 322 CB VAL A 29 5.920 -1.894 3.199 1.00 0.00 C ATOM 323 CG1 VAL A 29 5.154 -0.591 3.347 1.00 0.00 C ATOM 324 CG2 VAL A 29 7.402 -1.623 2.991 1.00 0.00 C ATOM 0 H VAL A 29 6.699 -1.331 5.534 1.00 0.00 H new ATOM 0 HA VAL A 29 4.605 -2.916 4.562 1.00 0.00 H new ATOM 0 HB VAL A 29 5.553 -2.419 2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.332 0.037 2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.088 -0.803 3.430 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.491 -0.070 4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.536 -0.984 2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.808 -1.125 3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.926 -2.566 2.834 1.00 0.00 H new ATOM 334 N LYS A 30 7.532 -4.365 4.619 1.00 0.00 N ATOM 335 CA LYS A 30 8.195 -5.648 4.457 1.00 0.00 C ATOM 336 C LYS A 30 7.531 -6.704 5.345 1.00 0.00 C ATOM 337 O LYS A 30 7.456 -7.877 4.988 1.00 0.00 O ATOM 338 CB LYS A 30 9.682 -5.538 4.809 1.00 0.00 C ATOM 339 CG LYS A 30 9.917 -5.236 6.279 1.00 0.00 C ATOM 340 CD LYS A 30 11.385 -5.311 6.666 1.00 0.00 C ATOM 341 CE LYS A 30 11.577 -4.879 8.110 1.00 0.00 C ATOM 342 NZ LYS A 30 12.992 -4.960 8.554 1.00 0.00 N ATOM 0 H LYS A 30 8.092 -3.653 5.088 1.00 0.00 H new ATOM 0 HA LYS A 30 8.104 -5.948 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.182 -6.471 4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.137 -4.754 4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.536 -4.240 6.507 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.349 -5.941 6.886 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.751 -6.329 6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.974 -4.672 6.008 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.223 -3.855 8.228 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.962 -5.505 8.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.113 -4.412 9.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.244 -5.953 8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.611 -4.571 7.814 1.00 0.00 H new ATOM 356 N ALA A 31 7.041 -6.266 6.503 1.00 0.00 N ATOM 357 CA ALA A 31 6.404 -7.167 7.451 1.00 0.00 C ATOM 358 C ALA A 31 4.992 -7.499 7.001 1.00 0.00 C ATOM 359 O ALA A 31 4.498 -8.599 7.254 1.00 0.00 O ATOM 360 CB ALA A 31 6.392 -6.564 8.843 1.00 0.00 C ATOM 0 H ALA A 31 7.075 -5.292 6.804 1.00 0.00 H new ATOM 0 HA ALA A 31 6.982 -8.090 7.486 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.911 -7.255 9.535 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.416 -6.379 9.168 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.841 -5.624 8.828 1.00 0.00 H new ATOM 366 N ILE A 32 4.350 -6.544 6.333 1.00 0.00 N ATOM 367 CA ILE A 32 3.055 -6.788 5.714 1.00 0.00 C ATOM 368 C ILE A 32 3.175 -7.983 4.787 1.00 0.00 C ATOM 369 O ILE A 32 2.354 -8.898 4.814 1.00 0.00 O ATOM 370 CB ILE A 32 2.566 -5.577 4.888 1.00 0.00 C ATOM 371 CG1 ILE A 32 2.569 -4.297 5.722 1.00 0.00 C ATOM 372 CG2 ILE A 32 1.171 -5.841 4.344 1.00 0.00 C ATOM 373 CD1 ILE A 32 2.233 -3.058 4.919 1.00 0.00 C ATOM 0 H ILE A 32 4.707 -5.597 6.208 1.00 0.00 H new ATOM 0 HA ILE A 32 2.334 -6.969 6.511 1.00 0.00 H new ATOM 0 HB ILE A 32 3.256 -5.439 4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.851 -4.400 6.536 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.551 -4.171 6.178 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.838 -4.980 3.764 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.191 -6.724 3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.483 -6.008 5.173 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.253 -2.185 5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.965 -2.932 4.122 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.239 -3.164 4.485 1.00 0.00 H new ATOM 385 N ASN A 33 4.234 -7.958 3.985 1.00 0.00 N ATOM 386 CA ASN A 33 4.553 -9.034 3.054 1.00 0.00 C ATOM 387 C ASN A 33 4.663 -10.365 3.791 1.00 0.00 C ATOM 388 O ASN A 33 4.065 -11.357 3.388 1.00 0.00 O ATOM 389 CB ASN A 33 5.885 -8.716 2.361 1.00 0.00 C ATOM 390 CG ASN A 33 6.152 -9.568 1.128 1.00 0.00 C ATOM 391 OD1 ASN A 33 5.714 -10.712 1.032 1.00 0.00 O ATOM 392 ND2 ASN A 33 6.890 -9.013 0.176 1.00 0.00 N ATOM 0 H ASN A 33 4.900 -7.185 3.963 1.00 0.00 H new ATOM 0 HA ASN A 33 3.757 -9.114 2.314 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.893 -7.665 2.074 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.698 -8.858 3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.111 -9.539 -0.670 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.237 -8.061 0.290 1.00 0.00 H new ATOM 399 N GLN A 34 5.417 -10.368 4.882 1.00 0.00 N ATOM 400 CA GLN A 34 5.644 -11.584 5.658 1.00 0.00 C ATOM 401 C GLN A 34 4.331 -12.160 6.174 1.00 0.00 C ATOM 402 O GLN A 34 4.135 -13.377 6.193 1.00 0.00 O ATOM 403 CB GLN A 34 6.576 -11.292 6.833 1.00 0.00 C ATOM 404 CG GLN A 34 7.858 -10.597 6.426 1.00 0.00 C ATOM 405 CD GLN A 34 8.791 -10.365 7.596 1.00 0.00 C ATOM 406 OE1 GLN A 34 8.773 -11.275 8.560 1.00 0.00 O flip ATOM 407 NE2 GLN A 34 9.533 -9.384 7.625 1.00 0.00 N flip ATOM 0 H GLN A 34 5.884 -9.540 5.252 1.00 0.00 H new ATOM 0 HA GLN A 34 6.108 -12.320 5.001 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.050 -10.672 7.559 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.822 -12.229 7.333 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.368 -11.196 5.672 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.617 -9.640 5.963 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.515 -8.708 6.862 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.167 -9.247 8.412 1.00 0.00 H new ATOM 416 N GLN A 35 3.430 -11.279 6.584 1.00 0.00 N ATOM 417 CA GLN A 35 2.137 -11.698 7.112 1.00 0.00 C ATOM 418 C GLN A 35 1.225 -12.211 6.003 1.00 0.00 C ATOM 419 O GLN A 35 0.351 -13.041 6.239 1.00 0.00 O ATOM 420 CB GLN A 35 1.431 -10.538 7.820 1.00 0.00 C ATOM 421 CG GLN A 35 2.205 -9.940 8.983 1.00 0.00 C ATOM 422 CD GLN A 35 2.540 -10.955 10.060 1.00 0.00 C ATOM 423 OE1 GLN A 35 1.827 -11.942 10.249 1.00 0.00 O ATOM 424 NE2 GLN A 35 3.612 -10.704 10.794 1.00 0.00 N ATOM 0 H GLN A 35 3.569 -10.269 6.562 1.00 0.00 H new ATOM 0 HA GLN A 35 2.332 -12.501 7.823 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.232 -9.752 7.091 1.00 0.00 H new ATOM 0 HB3 GLN A 35 0.465 -10.887 8.185 1.00 0.00 H new ATOM 0 HG2 GLN A 35 3.129 -9.499 8.608 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.621 -9.132 9.423 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.177 -9.876 10.606 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.874 -11.339 11.548 1.00 0.00 H new ATOM 433 N THR A 36 1.430 -11.717 4.793 1.00 0.00 N ATOM 434 CA THR A 36 0.483 -11.953 3.717 1.00 0.00 C ATOM 435 C THR A 36 1.054 -12.821 2.600 1.00 0.00 C ATOM 436 O THR A 36 0.602 -13.944 2.379 1.00 0.00 O ATOM 437 CB THR A 36 0.000 -10.616 3.128 1.00 0.00 C ATOM 438 OG1 THR A 36 1.121 -9.813 2.733 1.00 0.00 O ATOM 439 CG2 THR A 36 -0.840 -9.865 4.145 1.00 0.00 C ATOM 0 H THR A 36 2.239 -11.153 4.533 1.00 0.00 H new ATOM 0 HA THR A 36 -0.354 -12.496 4.157 1.00 0.00 H new ATOM 0 HB THR A 36 -0.612 -10.826 2.251 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.430 -9.284 3.498 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.175 -8.921 3.715 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.707 -10.467 4.417 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.243 -9.666 5.035 1.00 0.00 H new ATOM 447 N GLY A 37 2.054 -12.296 1.916 1.00 0.00 N ATOM 448 CA GLY A 37 2.598 -12.953 0.750 1.00 0.00 C ATOM 449 C GLY A 37 2.697 -11.996 -0.415 1.00 0.00 C ATOM 450 O GLY A 37 3.394 -12.259 -1.394 1.00 0.00 O ATOM 0 H GLY A 37 2.505 -11.412 2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.585 -13.353 0.981 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.967 -13.799 0.477 1.00 0.00 H new ATOM 454 N ALA A 38 1.995 -10.875 -0.301 1.00 0.00 N ATOM 455 CA ALA A 38 1.950 -9.894 -1.368 1.00 0.00 C ATOM 456 C ALA A 38 3.052 -8.862 -1.217 1.00 0.00 C ATOM 457 O ALA A 38 3.438 -8.499 -0.105 1.00 0.00 O ATOM 458 CB ALA A 38 0.601 -9.202 -1.405 1.00 0.00 C ATOM 0 H ALA A 38 1.449 -10.626 0.524 1.00 0.00 H new ATOM 0 HA ALA A 38 2.103 -10.426 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.589 -8.470 -2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.182 -9.941 -1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.425 -8.697 -0.455 1.00 0.00 H new ATOM 464 N PHE A 39 3.531 -8.375 -2.343 1.00 0.00 N ATOM 465 CA PHE A 39 4.591 -7.389 -2.361 1.00 0.00 C ATOM 466 C PHE A 39 4.004 -5.983 -2.288 1.00 0.00 C ATOM 467 O PHE A 39 3.412 -5.504 -3.257 1.00 0.00 O ATOM 468 CB PHE A 39 5.421 -7.538 -3.637 1.00 0.00 C ATOM 469 CG PHE A 39 6.039 -8.895 -3.806 1.00 0.00 C ATOM 470 CD1 PHE A 39 7.231 -9.211 -3.177 1.00 0.00 C ATOM 471 CD2 PHE A 39 5.428 -9.854 -4.598 1.00 0.00 C ATOM 472 CE1 PHE A 39 7.801 -10.460 -3.331 1.00 0.00 C ATOM 473 CE2 PHE A 39 5.993 -11.103 -4.756 1.00 0.00 C ATOM 474 CZ PHE A 39 7.180 -11.407 -4.122 1.00 0.00 C ATOM 0 H PHE A 39 3.198 -8.650 -3.267 1.00 0.00 H new ATOM 0 HA PHE A 39 5.233 -7.549 -1.495 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.786 -7.329 -4.498 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.211 -6.787 -3.634 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.721 -8.473 -2.559 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.499 -9.621 -5.097 1.00 0.00 H new ATOM 0 HE1 PHE A 39 8.730 -10.696 -2.834 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.506 -11.842 -5.375 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.623 -12.384 -4.244 1.00 0.00 H new ATOM 484 N VAL A 40 4.152 -5.341 -1.136 1.00 0.00 N ATOM 485 CA VAL A 40 3.680 -3.973 -0.947 1.00 0.00 C ATOM 486 C VAL A 40 4.764 -2.992 -1.390 1.00 0.00 C ATOM 487 O VAL A 40 5.587 -2.540 -0.592 1.00 0.00 O ATOM 488 CB VAL A 40 3.283 -3.714 0.527 1.00 0.00 C ATOM 489 CG1 VAL A 40 2.639 -2.347 0.680 1.00 0.00 C ATOM 490 CG2 VAL A 40 2.347 -4.805 1.020 1.00 0.00 C ATOM 0 H VAL A 40 4.598 -5.748 -0.314 1.00 0.00 H new ATOM 0 HA VAL A 40 2.789 -3.826 -1.558 1.00 0.00 H new ATOM 0 HB VAL A 40 4.187 -3.731 1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.368 -2.187 1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.342 -1.576 0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.743 -2.295 0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.076 -4.610 2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.447 -4.817 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.846 -5.771 0.951 1.00 0.00 H new ATOM 500 N GLU A 41 4.763 -2.702 -2.683 1.00 0.00 N ATOM 501 CA GLU A 41 5.791 -1.889 -3.314 1.00 0.00 C ATOM 502 C GLU A 41 5.394 -0.421 -3.321 1.00 0.00 C ATOM 503 O GLU A 41 4.214 -0.090 -3.412 1.00 0.00 O ATOM 504 CB GLU A 41 5.988 -2.354 -4.757 1.00 0.00 C ATOM 505 CG GLU A 41 6.310 -3.830 -4.886 1.00 0.00 C ATOM 506 CD GLU A 41 7.724 -4.164 -4.467 1.00 0.00 C ATOM 507 OE1 GLU A 41 7.986 -4.286 -3.256 1.00 0.00 O ATOM 508 OE2 GLU A 41 8.580 -4.321 -5.358 1.00 0.00 O ATOM 0 H GLU A 41 4.043 -3.027 -3.328 1.00 0.00 H new ATOM 0 HA GLU A 41 6.715 -2.002 -2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.083 -2.138 -5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.794 -1.775 -5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.611 -4.403 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.160 -4.140 -5.920 1.00 0.00 H new ATOM 515 N ILE A 42 6.377 0.457 -3.243 1.00 0.00 N ATOM 516 CA ILE A 42 6.124 1.883 -3.342 1.00 0.00 C ATOM 517 C ILE A 42 5.951 2.243 -4.811 1.00 0.00 C ATOM 518 O ILE A 42 6.866 2.052 -5.614 1.00 0.00 O ATOM 519 CB ILE A 42 7.275 2.715 -2.737 1.00 0.00 C ATOM 520 CG1 ILE A 42 7.776 2.078 -1.436 1.00 0.00 C ATOM 521 CG2 ILE A 42 6.803 4.138 -2.477 1.00 0.00 C ATOM 522 CD1 ILE A 42 8.960 2.798 -0.822 1.00 0.00 C ATOM 0 H ILE A 42 7.357 0.208 -3.111 1.00 0.00 H new ATOM 0 HA ILE A 42 5.221 2.115 -2.777 1.00 0.00 H new ATOM 0 HB ILE A 42 8.101 2.737 -3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.960 2.058 -0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.054 1.042 -1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.620 4.720 -2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.485 4.593 -3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.966 4.122 -1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.259 2.290 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.792 2.795 -1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.682 3.827 -0.593 1.00 0.00 H new ATOM 534 N SER A 43 4.779 2.744 -5.162 1.00 0.00 N ATOM 535 CA SER A 43 4.429 2.940 -6.558 1.00 0.00 C ATOM 536 C SER A 43 5.080 4.190 -7.126 1.00 0.00 C ATOM 537 O SER A 43 5.353 5.154 -6.412 1.00 0.00 O ATOM 538 CB SER A 43 2.913 3.025 -6.722 1.00 0.00 C ATOM 539 OG SER A 43 2.543 3.022 -8.092 1.00 0.00 O ATOM 0 H SER A 43 4.054 3.022 -4.500 1.00 0.00 H new ATOM 0 HA SER A 43 4.803 2.080 -7.113 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.442 2.184 -6.214 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.544 3.933 -6.245 1.00 0.00 H new ATOM 0 HG SER A 43 1.567 3.075 -8.167 1.00 0.00 H new ATOM 545 N ARG A 44 5.325 4.150 -8.424 1.00 0.00 N ATOM 546 CA ARG A 44 5.919 5.267 -9.136 1.00 0.00 C ATOM 547 C ARG A 44 4.825 6.022 -9.882 1.00 0.00 C ATOM 548 O ARG A 44 5.089 6.952 -10.648 1.00 0.00 O ATOM 549 CB ARG A 44 6.986 4.765 -10.120 1.00 0.00 C ATOM 550 CG ARG A 44 8.233 4.173 -9.462 1.00 0.00 C ATOM 551 CD ARG A 44 7.958 2.862 -8.729 1.00 0.00 C ATOM 552 NE ARG A 44 7.590 1.770 -9.634 1.00 0.00 N ATOM 553 CZ ARG A 44 7.795 0.478 -9.361 1.00 0.00 C ATOM 554 NH1 ARG A 44 8.343 0.123 -8.203 1.00 0.00 N ATOM 555 NH2 ARG A 44 7.439 -0.458 -10.235 1.00 0.00 N ATOM 0 H ARG A 44 5.118 3.343 -9.013 1.00 0.00 H new ATOM 0 HA ARG A 44 6.400 5.937 -8.423 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.539 4.009 -10.766 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.288 5.593 -10.761 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.993 4.004 -10.225 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.644 4.897 -8.758 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.844 2.575 -8.163 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.155 3.016 -8.008 1.00 0.00 H new ATOM 0 HE ARG A 44 7.152 2.010 -10.524 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.607 0.837 -7.524 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.500 -0.863 -7.994 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.007 -0.192 -11.120 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.598 -1.443 -10.021 1.00 0.00 H new ATOM 569 N GLN A 45 3.591 5.603 -9.634 1.00 0.00 N ATOM 570 CA GLN A 45 2.424 6.169 -10.290 1.00 0.00 C ATOM 571 C GLN A 45 1.864 7.335 -9.486 1.00 0.00 C ATOM 572 O GLN A 45 1.853 7.305 -8.255 1.00 0.00 O ATOM 573 CB GLN A 45 1.343 5.097 -10.438 1.00 0.00 C ATOM 574 CG GLN A 45 1.799 3.855 -11.186 1.00 0.00 C ATOM 575 CD GLN A 45 1.975 4.090 -12.672 1.00 0.00 C ATOM 576 OE1 GLN A 45 3.053 4.460 -13.138 1.00 0.00 O ATOM 577 NE2 GLN A 45 0.912 3.870 -13.426 1.00 0.00 N ATOM 0 H GLN A 45 3.373 4.860 -8.971 1.00 0.00 H new ATOM 0 HA GLN A 45 2.726 6.531 -11.273 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.998 4.805 -9.446 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.488 5.528 -10.959 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.743 3.510 -10.764 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.071 3.058 -11.034 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.038 3.564 -12.998 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.966 4.006 -14.435 1.00 0.00 H new ATOM 586 N LEU A 46 1.401 8.354 -10.191 1.00 0.00 N ATOM 587 CA LEU A 46 0.719 9.473 -9.563 1.00 0.00 C ATOM 588 C LEU A 46 -0.787 9.272 -9.657 1.00 0.00 C ATOM 589 O LEU A 46 -1.268 8.588 -10.561 1.00 0.00 O ATOM 590 CB LEU A 46 1.098 10.794 -10.240 1.00 0.00 C ATOM 591 CG LEU A 46 2.539 11.261 -10.024 1.00 0.00 C ATOM 592 CD1 LEU A 46 2.764 12.617 -10.675 1.00 0.00 C ATOM 593 CD2 LEU A 46 2.866 11.323 -8.539 1.00 0.00 C ATOM 0 H LEU A 46 1.486 8.429 -11.205 1.00 0.00 H new ATOM 0 HA LEU A 46 1.024 9.517 -8.517 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.925 10.695 -11.312 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.425 11.572 -9.879 1.00 0.00 H new ATOM 0 HG LEU A 46 3.207 10.538 -10.493 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.794 12.933 -10.511 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.573 12.543 -11.746 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.086 13.349 -10.236 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.895 11.657 -8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.191 12.023 -8.047 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.746 10.333 -8.098 1.00 0.00 H new ATOM 605 N PRO A 47 -1.553 9.858 -8.725 1.00 0.00 N ATOM 606 CA PRO A 47 -3.014 9.811 -8.773 1.00 0.00 C ATOM 607 C PRO A 47 -3.525 10.617 -9.964 1.00 0.00 C ATOM 608 O PRO A 47 -2.786 11.449 -10.491 1.00 0.00 O ATOM 609 CB PRO A 47 -3.440 10.448 -7.443 1.00 0.00 C ATOM 610 CG PRO A 47 -2.287 11.304 -7.038 1.00 0.00 C ATOM 611 CD PRO A 47 -1.054 10.625 -7.568 1.00 0.00 C ATOM 0 HA PRO A 47 -3.413 8.804 -8.896 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.348 11.039 -7.562 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.651 9.688 -6.691 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -2.385 12.309 -7.449 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -2.240 11.406 -5.954 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.294 11.348 -7.864 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -0.601 9.974 -6.820 1.00 0.00 H new ATOM 619 N PRO A 48 -4.778 10.383 -10.406 1.00 0.00 N ATOM 620 CA PRO A 48 -5.347 11.023 -11.613 1.00 0.00 C ATOM 621 C PRO A 48 -5.571 12.534 -11.461 1.00 0.00 C ATOM 622 O PRO A 48 -6.616 13.068 -11.846 1.00 0.00 O ATOM 623 CB PRO A 48 -6.681 10.298 -11.808 1.00 0.00 C ATOM 624 CG PRO A 48 -7.035 9.774 -10.461 1.00 0.00 C ATOM 625 CD PRO A 48 -5.735 9.453 -9.781 1.00 0.00 C ATOM 0 HA PRO A 48 -4.666 10.939 -12.460 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.448 10.976 -12.182 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -6.589 9.490 -12.534 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.600 10.513 -9.892 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.662 8.886 -10.541 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.798 9.606 -8.704 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.446 8.414 -9.939 1.00 0.00 H new ATOM 633 N ASN A 49 -4.576 13.195 -10.895 1.00 0.00 N ATOM 634 CA ASN A 49 -4.555 14.641 -10.734 1.00 0.00 C ATOM 635 C ASN A 49 -3.120 15.146 -10.823 1.00 0.00 C ATOM 636 O ASN A 49 -2.877 16.336 -11.013 1.00 0.00 O ATOM 637 CB ASN A 49 -5.154 15.065 -9.382 1.00 0.00 C ATOM 638 CG ASN A 49 -6.669 14.975 -9.333 1.00 0.00 C ATOM 639 OD1 ASN A 49 -7.370 15.899 -9.746 1.00 0.00 O ATOM 640 ND2 ASN A 49 -7.188 13.877 -8.800 1.00 0.00 N ATOM 0 H ASN A 49 -3.744 12.734 -10.527 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.159 15.075 -11.531 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.735 14.437 -8.596 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.852 16.090 -9.166 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.200 13.777 -8.722 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.575 13.132 -8.469 1.00 0.00 H new ATOM 647 N GLY A 50 -2.167 14.215 -10.719 1.00 0.00 N ATOM 648 CA GLY A 50 -0.767 14.582 -10.598 1.00 0.00 C ATOM 649 C GLY A 50 -0.483 15.211 -9.249 1.00 0.00 C ATOM 650 O GLY A 50 0.322 16.134 -9.131 1.00 0.00 O ATOM 0 H GLY A 50 -2.345 13.211 -10.717 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.143 13.698 -10.729 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.501 15.280 -11.392 1.00 0.00 H new ATOM 654 N ASP A 51 -1.159 14.697 -8.232 1.00 0.00 N ATOM 655 CA ASP A 51 -1.090 15.258 -6.890 1.00 0.00 C ATOM 656 C ASP A 51 0.084 14.654 -6.121 1.00 0.00 C ATOM 657 O ASP A 51 0.161 13.438 -5.951 1.00 0.00 O ATOM 658 CB ASP A 51 -2.404 14.980 -6.156 1.00 0.00 C ATOM 659 CG ASP A 51 -2.645 15.920 -4.997 1.00 0.00 C ATOM 660 OD1 ASP A 51 -1.855 15.910 -4.036 1.00 0.00 O ATOM 661 OD2 ASP A 51 -3.632 16.686 -5.050 1.00 0.00 O ATOM 0 H ASP A 51 -1.768 13.883 -8.313 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.936 16.335 -6.959 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.231 15.062 -6.861 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.398 13.954 -5.789 1.00 0.00 H new ATOM 666 N PRO A 52 1.014 15.498 -5.650 1.00 0.00 N ATOM 667 CA PRO A 52 2.221 15.057 -4.957 1.00 0.00 C ATOM 668 C PRO A 52 2.003 14.825 -3.462 1.00 0.00 C ATOM 669 O PRO A 52 2.932 14.469 -2.735 1.00 0.00 O ATOM 670 CB PRO A 52 3.203 16.217 -5.171 1.00 0.00 C ATOM 671 CG PRO A 52 2.426 17.335 -5.800 1.00 0.00 C ATOM 672 CD PRO A 52 0.974 16.954 -5.763 1.00 0.00 C ATOM 0 HA PRO A 52 2.570 14.099 -5.342 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.638 16.534 -4.223 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.028 15.911 -5.814 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.591 18.267 -5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.753 17.499 -6.827 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.460 17.410 -4.917 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.451 17.274 -6.664 1.00 0.00 H new ATOM 680 N ASN A 53 0.778 15.025 -3.009 1.00 0.00 N ATOM 681 CA ASN A 53 0.437 14.840 -1.604 1.00 0.00 C ATOM 682 C ASN A 53 0.053 13.384 -1.342 1.00 0.00 C ATOM 683 O ASN A 53 -0.066 12.946 -0.192 1.00 0.00 O ATOM 684 CB ASN A 53 -0.717 15.775 -1.245 1.00 0.00 C ATOM 685 CG ASN A 53 -1.176 15.679 0.199 1.00 0.00 C ATOM 686 OD1 ASN A 53 -0.386 15.438 1.109 1.00 0.00 O ATOM 687 ND2 ASN A 53 -2.467 15.879 0.412 1.00 0.00 N ATOM 0 H ASN A 53 -0.004 15.317 -3.596 1.00 0.00 H new ATOM 0 HA ASN A 53 1.299 15.079 -0.982 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -0.414 16.802 -1.450 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.562 15.556 -1.898 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.840 15.836 1.360 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -3.089 16.076 -0.372 1.00 0.00 H new ATOM 694 N PHE A 54 -0.127 12.635 -2.422 1.00 0.00 N ATOM 695 CA PHE A 54 -0.482 11.229 -2.331 1.00 0.00 C ATOM 696 C PHE A 54 0.482 10.375 -3.146 1.00 0.00 C ATOM 697 O PHE A 54 0.639 10.579 -4.349 1.00 0.00 O ATOM 698 CB PHE A 54 -1.911 11.002 -2.828 1.00 0.00 C ATOM 699 CG PHE A 54 -2.958 11.691 -2.000 1.00 0.00 C ATOM 700 CD1 PHE A 54 -3.311 11.199 -0.754 1.00 0.00 C ATOM 701 CD2 PHE A 54 -3.588 12.831 -2.470 1.00 0.00 C ATOM 702 CE1 PHE A 54 -4.272 11.832 0.009 1.00 0.00 C ATOM 703 CE2 PHE A 54 -4.550 13.468 -1.711 1.00 0.00 C ATOM 704 CZ PHE A 54 -4.893 12.969 -0.470 1.00 0.00 C ATOM 0 H PHE A 54 -0.032 12.983 -3.376 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.417 10.935 -1.283 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.987 11.352 -3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.116 9.932 -2.839 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.829 10.310 -0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.324 13.226 -3.440 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.538 11.439 0.979 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.034 14.357 -2.088 1.00 0.00 H new ATOM 0 HZ PHE A 54 -5.645 13.466 0.125 1.00 0.00 H new ATOM 714 N LYS A 55 1.128 9.429 -2.484 1.00 0.00 N ATOM 715 CA LYS A 55 1.997 8.478 -3.157 1.00 0.00 C ATOM 716 C LYS A 55 1.308 7.128 -3.237 1.00 0.00 C ATOM 717 O LYS A 55 0.963 6.535 -2.220 1.00 0.00 O ATOM 718 CB LYS A 55 3.331 8.334 -2.420 1.00 0.00 C ATOM 719 CG LYS A 55 4.179 9.593 -2.431 1.00 0.00 C ATOM 720 CD LYS A 55 5.544 9.346 -1.802 1.00 0.00 C ATOM 721 CE LYS A 55 6.438 10.575 -1.882 1.00 0.00 C ATOM 722 NZ LYS A 55 6.646 11.023 -3.284 1.00 0.00 N ATOM 0 H LYS A 55 1.066 9.299 -1.474 1.00 0.00 H new ATOM 0 HA LYS A 55 2.200 8.849 -4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.135 8.049 -1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.899 7.521 -2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.306 9.940 -3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.664 10.386 -1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.416 9.058 -0.759 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.030 8.511 -2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.992 11.385 -1.305 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.403 10.352 -1.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.445 11.687 -3.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.852 10.199 -3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.786 11.496 -3.628 1.00 0.00 H new ATOM 736 N LEU A 56 1.089 6.652 -4.443 1.00 0.00 N ATOM 737 CA LEU A 56 0.400 5.390 -4.633 1.00 0.00 C ATOM 738 C LEU A 56 1.275 4.224 -4.175 1.00 0.00 C ATOM 739 O LEU A 56 2.501 4.339 -4.107 1.00 0.00 O ATOM 740 CB LEU A 56 -0.019 5.216 -6.100 1.00 0.00 C ATOM 741 CG LEU A 56 -1.286 5.976 -6.533 1.00 0.00 C ATOM 742 CD1 LEU A 56 -1.143 7.472 -6.314 1.00 0.00 C ATOM 743 CD2 LEU A 56 -1.602 5.687 -7.993 1.00 0.00 C ATOM 0 H LEU A 56 1.376 7.116 -5.305 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.503 5.397 -4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.808 5.536 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.173 4.154 -6.290 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.111 5.626 -5.912 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.056 7.975 -6.631 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.968 7.670 -5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.302 7.846 -6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.500 6.231 -8.285 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.766 6.005 -8.616 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.766 4.618 -8.125 1.00 0.00 H new ATOM 755 N PHE A 57 0.638 3.114 -3.848 1.00 0.00 N ATOM 756 CA PHE A 57 1.334 1.921 -3.397 1.00 0.00 C ATOM 757 C PHE A 57 0.831 0.701 -4.153 1.00 0.00 C ATOM 758 O PHE A 57 -0.374 0.523 -4.323 1.00 0.00 O ATOM 759 CB PHE A 57 1.145 1.734 -1.891 1.00 0.00 C ATOM 760 CG PHE A 57 2.405 1.948 -1.104 1.00 0.00 C ATOM 761 CD1 PHE A 57 2.837 3.225 -0.776 1.00 0.00 C ATOM 762 CD2 PHE A 57 3.163 0.865 -0.698 1.00 0.00 C ATOM 763 CE1 PHE A 57 3.999 3.412 -0.058 1.00 0.00 C ATOM 764 CE2 PHE A 57 4.327 1.046 0.020 1.00 0.00 C ATOM 765 CZ PHE A 57 4.746 2.320 0.339 1.00 0.00 C ATOM 0 H PHE A 57 -0.376 3.014 -3.887 1.00 0.00 H new ATOM 0 HA PHE A 57 2.399 2.039 -3.599 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.382 2.428 -1.538 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.772 0.728 -1.701 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.257 4.082 -1.086 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.840 -0.135 -0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.325 4.411 0.194 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.909 0.191 0.332 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.658 2.464 0.899 1.00 0.00 H new ATOM 775 N ILE A 58 1.757 -0.127 -4.611 1.00 0.00 N ATOM 776 CA ILE A 58 1.424 -1.297 -5.407 1.00 0.00 C ATOM 777 C ILE A 58 1.398 -2.537 -4.538 1.00 0.00 C ATOM 778 O ILE A 58 2.442 -2.990 -4.084 1.00 0.00 O ATOM 779 CB ILE A 58 2.463 -1.552 -6.523 1.00 0.00 C ATOM 780 CG1 ILE A 58 2.851 -0.255 -7.218 1.00 0.00 C ATOM 781 CG2 ILE A 58 1.921 -2.546 -7.533 1.00 0.00 C ATOM 782 CD1 ILE A 58 3.879 -0.440 -8.316 1.00 0.00 C ATOM 0 H ILE A 58 2.756 -0.008 -4.442 1.00 0.00 H new ATOM 0 HA ILE A 58 0.447 -1.099 -5.848 1.00 0.00 H new ATOM 0 HB ILE A 58 3.357 -1.970 -6.061 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.957 0.202 -7.642 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.244 0.441 -6.477 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.664 -2.715 -8.312 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.699 -3.489 -7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.010 -2.150 -7.981 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.108 0.526 -8.767 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.789 -0.868 -7.895 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.481 -1.111 -9.077 1.00 0.00 H new ATOM 794 N ILE A 59 0.231 -3.095 -4.303 1.00 0.00 N ATOM 795 CA ILE A 59 0.164 -4.366 -3.630 1.00 0.00 C ATOM 796 C ILE A 59 -0.033 -5.441 -4.682 1.00 0.00 C ATOM 797 O ILE A 59 -1.126 -5.612 -5.216 1.00 0.00 O ATOM 798 CB ILE A 59 -0.963 -4.421 -2.575 1.00 0.00 C ATOM 799 CG1 ILE A 59 -0.811 -3.266 -1.577 1.00 0.00 C ATOM 800 CG2 ILE A 59 -0.936 -5.759 -1.844 1.00 0.00 C ATOM 801 CD1 ILE A 59 -1.853 -3.271 -0.480 1.00 0.00 C ATOM 0 H ILE A 59 -0.670 -2.694 -4.564 1.00 0.00 H new ATOM 0 HA ILE A 59 1.094 -4.524 -3.083 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.923 -4.320 -3.082 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.180 -3.315 -1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.869 -2.321 -2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.735 -5.785 -1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.079 -6.568 -2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.025 -5.882 -1.345 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.683 -2.426 0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.846 -3.190 -0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.782 -4.200 0.085 1.00 0.00 H new ATOM 813 N ARG A 60 1.052 -6.113 -5.027 1.00 0.00 N ATOM 814 CA ARG A 60 1.030 -7.088 -6.105 1.00 0.00 C ATOM 815 C ARG A 60 1.153 -8.504 -5.563 1.00 0.00 C ATOM 816 O ARG A 60 2.005 -8.789 -4.717 1.00 0.00 O ATOM 817 CB ARG A 60 2.140 -6.797 -7.124 1.00 0.00 C ATOM 818 CG ARG A 60 3.527 -6.652 -6.526 1.00 0.00 C ATOM 819 CD ARG A 60 4.560 -6.412 -7.611 1.00 0.00 C ATOM 820 NE ARG A 60 5.895 -6.167 -7.078 1.00 0.00 N ATOM 821 CZ ARG A 60 7.009 -6.604 -7.662 1.00 0.00 C ATOM 822 NH1 ARG A 60 6.927 -7.431 -8.699 1.00 0.00 N ATOM 823 NH2 ARG A 60 8.197 -6.246 -7.195 1.00 0.00 N ATOM 0 H ARG A 60 1.960 -6.002 -4.576 1.00 0.00 H new ATOM 0 HA ARG A 60 0.070 -7.005 -6.614 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.159 -7.601 -7.860 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.892 -5.880 -7.659 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.538 -5.823 -5.818 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.783 -7.552 -5.967 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.592 -7.277 -8.273 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.253 -5.559 -8.216 1.00 0.00 H new ATOM 0 HE ARG A 60 5.980 -5.633 -6.213 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.014 -7.728 -9.044 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.777 -7.769 -9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.262 -5.632 -6.383 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.046 -6.585 -7.648 1.00 0.00 H new ATOM 837 N GLY A 61 0.286 -9.379 -6.047 1.00 0.00 N ATOM 838 CA GLY A 61 0.283 -10.751 -5.605 1.00 0.00 C ATOM 839 C GLY A 61 -1.063 -11.402 -5.828 1.00 0.00 C ATOM 840 O GLY A 61 -1.875 -10.897 -6.602 1.00 0.00 O ATOM 0 H GLY A 61 -0.422 -9.157 -6.746 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.051 -11.309 -6.141 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.538 -10.794 -4.546 1.00 0.00 H new ATOM 844 N SER A 62 -1.302 -12.517 -5.157 1.00 0.00 N ATOM 845 CA SER A 62 -2.582 -13.200 -5.249 1.00 0.00 C ATOM 846 C SER A 62 -3.675 -12.380 -4.558 1.00 0.00 C ATOM 847 O SER A 62 -3.388 -11.660 -3.599 1.00 0.00 O ATOM 848 CB SER A 62 -2.475 -14.588 -4.612 1.00 0.00 C ATOM 849 OG SER A 62 -1.359 -15.297 -5.128 1.00 0.00 O ATOM 0 H SER A 62 -0.625 -12.969 -4.542 1.00 0.00 H new ATOM 0 HA SER A 62 -2.849 -13.311 -6.300 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.380 -14.490 -3.531 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.389 -15.151 -4.802 1.00 0.00 H new ATOM 0 HG SER A 62 -0.738 -15.505 -4.399 1.00 0.00 H new ATOM 855 N PRO A 63 -4.928 -12.466 -5.042 1.00 0.00 N ATOM 856 CA PRO A 63 -6.053 -11.674 -4.524 1.00 0.00 C ATOM 857 C PRO A 63 -6.122 -11.623 -2.996 1.00 0.00 C ATOM 858 O PRO A 63 -6.164 -10.537 -2.407 1.00 0.00 O ATOM 859 CB PRO A 63 -7.275 -12.398 -5.086 1.00 0.00 C ATOM 860 CG PRO A 63 -6.800 -13.000 -6.361 1.00 0.00 C ATOM 861 CD PRO A 63 -5.348 -13.346 -6.152 1.00 0.00 C ATOM 0 HA PRO A 63 -5.968 -10.629 -4.821 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -7.635 -13.162 -4.397 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -8.101 -11.708 -5.257 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.379 -13.889 -6.610 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.918 -12.300 -7.189 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.221 -14.398 -5.897 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.760 -13.162 -7.051 1.00 0.00 H new ATOM 869 N GLN A 64 -6.105 -12.793 -2.359 1.00 0.00 N ATOM 870 CA GLN A 64 -6.233 -12.876 -0.906 1.00 0.00 C ATOM 871 C GLN A 64 -5.027 -12.257 -0.210 1.00 0.00 C ATOM 872 O GLN A 64 -5.127 -11.773 0.914 1.00 0.00 O ATOM 873 CB GLN A 64 -6.402 -14.331 -0.463 1.00 0.00 C ATOM 874 CG GLN A 64 -6.611 -14.488 1.034 1.00 0.00 C ATOM 875 CD GLN A 64 -6.830 -15.927 1.443 1.00 0.00 C ATOM 876 OE1 GLN A 64 -5.885 -16.652 1.748 1.00 0.00 O ATOM 877 NE2 GLN A 64 -8.084 -16.346 1.458 1.00 0.00 N ATOM 0 H GLN A 64 -6.004 -13.694 -2.826 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.121 -12.313 -0.619 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -7.252 -14.766 -0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.520 -14.898 -0.760 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.743 -14.092 1.562 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.470 -13.892 1.342 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.837 -15.710 1.197 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.298 -17.305 1.730 1.00 0.00 H new ATOM 886 N GLN A 65 -3.899 -12.243 -0.895 1.00 0.00 N ATOM 887 CA GLN A 65 -2.682 -11.688 -0.332 1.00 0.00 C ATOM 888 C GLN A 65 -2.733 -10.168 -0.398 1.00 0.00 C ATOM 889 O GLN A 65 -2.380 -9.486 0.562 1.00 0.00 O ATOM 890 CB GLN A 65 -1.455 -12.199 -1.095 1.00 0.00 C ATOM 891 CG GLN A 65 -1.164 -13.675 -0.892 1.00 0.00 C ATOM 892 CD GLN A 65 -0.202 -14.217 -1.929 1.00 0.00 C ATOM 893 OE1 GLN A 65 -0.254 -15.392 -2.286 1.00 0.00 O ATOM 894 NE2 GLN A 65 0.680 -13.364 -2.429 1.00 0.00 N ATOM 0 H GLN A 65 -3.800 -12.609 -1.842 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.602 -12.004 0.708 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.599 -12.012 -2.159 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.583 -11.623 -0.786 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -0.746 -13.828 0.103 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.097 -14.237 -0.936 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.692 -12.396 -2.107 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.347 -13.675 -3.135 1.00 0.00 H new ATOM 903 N ILE A 66 -3.190 -9.656 -1.534 1.00 0.00 N ATOM 904 CA ILE A 66 -3.299 -8.218 -1.744 1.00 0.00 C ATOM 905 C ILE A 66 -4.262 -7.578 -0.752 1.00 0.00 C ATOM 906 O ILE A 66 -3.900 -6.651 -0.029 1.00 0.00 O ATOM 907 CB ILE A 66 -3.774 -7.890 -3.176 1.00 0.00 C ATOM 908 CG1 ILE A 66 -2.745 -8.364 -4.204 1.00 0.00 C ATOM 909 CG2 ILE A 66 -4.036 -6.397 -3.321 1.00 0.00 C ATOM 910 CD1 ILE A 66 -3.050 -7.920 -5.618 1.00 0.00 C ATOM 0 H ILE A 66 -3.493 -10.219 -2.329 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.300 -7.809 -1.591 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.708 -8.420 -3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.761 -7.991 -3.919 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.693 -9.452 -4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.370 -6.183 -4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.807 -6.093 -2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.118 -5.845 -3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.278 -8.293 -6.291 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.019 -8.316 -5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.073 -6.831 -5.660 1.00 0.00 H new ATOM 922 N ASP A 67 -5.484 -8.085 -0.716 1.00 0.00 N ATOM 923 CA ASP A 67 -6.531 -7.504 0.117 1.00 0.00 C ATOM 924 C ASP A 67 -6.197 -7.641 1.598 1.00 0.00 C ATOM 925 O ASP A 67 -6.438 -6.723 2.382 1.00 0.00 O ATOM 926 CB ASP A 67 -7.867 -8.169 -0.188 1.00 0.00 C ATOM 927 CG ASP A 67 -8.997 -7.673 0.693 1.00 0.00 C ATOM 928 OD1 ASP A 67 -9.580 -6.613 0.385 1.00 0.00 O ATOM 929 OD2 ASP A 67 -9.327 -8.363 1.682 1.00 0.00 O ATOM 0 H ASP A 67 -5.778 -8.900 -1.255 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.600 -6.441 -0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.124 -7.991 -1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.765 -9.247 -0.064 1.00 0.00 H new ATOM 934 N HIS A 68 -5.626 -8.777 1.980 1.00 0.00 N ATOM 935 CA HIS A 68 -5.240 -8.992 3.369 1.00 0.00 C ATOM 936 C HIS A 68 -4.126 -8.025 3.758 1.00 0.00 C ATOM 937 O HIS A 68 -4.087 -7.536 4.884 1.00 0.00 O ATOM 938 CB HIS A 68 -4.800 -10.444 3.597 1.00 0.00 C ATOM 939 CG HIS A 68 -4.651 -10.823 5.043 1.00 0.00 C ATOM 940 ND1 HIS A 68 -3.925 -11.918 5.461 1.00 0.00 N ATOM 941 CD2 HIS A 68 -5.141 -10.250 6.168 1.00 0.00 C ATOM 942 CE1 HIS A 68 -3.976 -12.001 6.776 1.00 0.00 C ATOM 943 NE2 HIS A 68 -4.704 -11.001 7.228 1.00 0.00 N ATOM 0 H HIS A 68 -5.422 -9.556 1.355 1.00 0.00 H new ATOM 0 HA HIS A 68 -6.107 -8.802 4.002 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.527 -11.109 3.132 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.849 -10.607 3.090 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.760 -9.367 6.220 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.501 -12.760 7.380 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.910 -10.815 8.210 1.00 0.00 H new ATOM 952 N ALA A 69 -3.230 -7.745 2.817 1.00 0.00 N ATOM 953 CA ALA A 69 -2.173 -6.767 3.033 1.00 0.00 C ATOM 954 C ALA A 69 -2.771 -5.374 3.157 1.00 0.00 C ATOM 955 O ALA A 69 -2.385 -4.591 4.027 1.00 0.00 O ATOM 956 CB ALA A 69 -1.162 -6.815 1.897 1.00 0.00 C ATOM 0 H ALA A 69 -3.216 -8.183 1.896 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.655 -7.010 3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.379 -6.078 2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.719 -7.810 1.846 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.663 -6.592 0.955 1.00 0.00 H new ATOM 962 N LYS A 70 -3.725 -5.087 2.283 1.00 0.00 N ATOM 963 CA LYS A 70 -4.472 -3.838 2.319 1.00 0.00 C ATOM 964 C LYS A 70 -5.087 -3.618 3.700 1.00 0.00 C ATOM 965 O LYS A 70 -4.974 -2.537 4.273 1.00 0.00 O ATOM 966 CB LYS A 70 -5.575 -3.875 1.261 1.00 0.00 C ATOM 967 CG LYS A 70 -6.539 -2.705 1.325 1.00 0.00 C ATOM 968 CD LYS A 70 -7.949 -3.140 0.964 1.00 0.00 C ATOM 969 CE LYS A 70 -8.917 -1.968 0.999 1.00 0.00 C ATOM 970 NZ LYS A 70 -10.330 -2.414 0.932 1.00 0.00 N ATOM 0 H LYS A 70 -4.003 -5.714 1.528 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.790 -3.014 2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.115 -3.898 0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.138 -4.802 1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.532 -2.278 2.328 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.211 -1.921 0.643 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.950 -3.586 -0.031 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.283 -3.911 1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.760 -1.395 1.913 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.708 -1.299 0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.957 -1.585 0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.487 -2.939 0.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.538 -3.031 1.743 1.00 0.00 H new ATOM 984 N GLN A 71 -5.721 -4.659 4.229 1.00 0.00 N ATOM 985 CA GLN A 71 -6.369 -4.581 5.534 1.00 0.00 C ATOM 986 C GLN A 71 -5.354 -4.368 6.653 1.00 0.00 C ATOM 987 O GLN A 71 -5.654 -3.715 7.654 1.00 0.00 O ATOM 988 CB GLN A 71 -7.194 -5.839 5.802 1.00 0.00 C ATOM 989 CG GLN A 71 -8.352 -6.021 4.836 1.00 0.00 C ATOM 990 CD GLN A 71 -9.152 -7.272 5.125 1.00 0.00 C ATOM 991 OE1 GLN A 71 -8.620 -8.259 5.632 1.00 0.00 O ATOM 992 NE2 GLN A 71 -10.434 -7.245 4.805 1.00 0.00 N ATOM 0 H GLN A 71 -5.800 -5.568 3.774 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.035 -3.719 5.517 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.542 -6.711 5.744 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.583 -5.799 6.820 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.008 -5.152 4.892 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.968 -6.066 3.817 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.838 -6.407 4.386 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.020 -8.062 4.977 1.00 0.00 H new ATOM 1001 N LEU A 72 -4.149 -4.903 6.483 1.00 0.00 N ATOM 1002 CA LEU A 72 -3.086 -4.686 7.454 1.00 0.00 C ATOM 1003 C LEU A 72 -2.696 -3.213 7.461 1.00 0.00 C ATOM 1004 O LEU A 72 -2.354 -2.650 8.501 1.00 0.00 O ATOM 1005 CB LEU A 72 -1.856 -5.535 7.126 1.00 0.00 C ATOM 1006 CG LEU A 72 -2.081 -7.047 7.040 1.00 0.00 C ATOM 1007 CD1 LEU A 72 -0.752 -7.763 6.863 1.00 0.00 C ATOM 1008 CD2 LEU A 72 -2.799 -7.569 8.270 1.00 0.00 C ATOM 0 H LEU A 72 -3.887 -5.485 5.688 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.455 -4.980 8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.449 -5.195 6.174 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.096 -5.344 7.884 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.713 -7.246 6.174 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.923 -8.838 6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.273 -7.420 5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.105 -7.545 7.713 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.943 -8.645 8.178 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.202 -7.358 9.157 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.769 -7.079 8.360 1.00 0.00 H new ATOM 1020 N ILE A 73 -2.758 -2.606 6.284 1.00 0.00 N ATOM 1021 CA ILE A 73 -2.453 -1.194 6.115 1.00 0.00 C ATOM 1022 C ILE A 73 -3.576 -0.330 6.677 1.00 0.00 C ATOM 1023 O ILE A 73 -3.322 0.645 7.382 1.00 0.00 O ATOM 1024 CB ILE A 73 -2.245 -0.857 4.621 1.00 0.00 C ATOM 1025 CG1 ILE A 73 -1.047 -1.635 4.071 1.00 0.00 C ATOM 1026 CG2 ILE A 73 -2.062 0.640 4.415 1.00 0.00 C ATOM 1027 CD1 ILE A 73 -0.787 -1.398 2.599 1.00 0.00 C ATOM 0 H ILE A 73 -3.021 -3.080 5.420 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.533 -0.983 6.661 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.138 -1.156 4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.157 -1.360 4.636 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.212 -2.700 4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.918 0.846 3.354 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.948 1.167 4.770 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.189 0.980 4.973 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.077 -1.983 2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.661 -1.700 2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.589 -0.339 2.430 1.00 0.00 H new ATOM 1039 N GLU A 74 -4.816 -0.695 6.364 1.00 0.00 N ATOM 1040 CA GLU A 74 -5.977 0.010 6.897 1.00 0.00 C ATOM 1041 C GLU A 74 -6.002 -0.083 8.419 1.00 0.00 C ATOM 1042 O GLU A 74 -6.531 0.795 9.097 1.00 0.00 O ATOM 1043 CB GLU A 74 -7.270 -0.545 6.298 1.00 0.00 C ATOM 1044 CG GLU A 74 -7.416 -0.246 4.814 1.00 0.00 C ATOM 1045 CD GLU A 74 -8.740 -0.714 4.246 1.00 0.00 C ATOM 1046 OE1 GLU A 74 -9.185 -1.828 4.596 1.00 0.00 O ATOM 1047 OE2 GLU A 74 -9.343 0.028 3.439 1.00 0.00 O ATOM 0 H GLU A 74 -5.042 -1.474 5.745 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.900 1.061 6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.300 -1.624 6.450 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.121 -0.124 6.833 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.317 0.827 4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.603 -0.726 4.270 1.00 0.00 H new ATOM 1054 N GLU A 75 -5.424 -1.154 8.947 1.00 0.00 N ATOM 1055 CA GLU A 75 -5.214 -1.291 10.382 1.00 0.00 C ATOM 1056 C GLU A 75 -4.226 -0.232 10.873 1.00 0.00 C ATOM 1057 O GLU A 75 -4.456 0.437 11.881 1.00 0.00 O ATOM 1058 CB GLU A 75 -4.680 -2.693 10.691 1.00 0.00 C ATOM 1059 CG GLU A 75 -4.216 -2.887 12.127 1.00 0.00 C ATOM 1060 CD GLU A 75 -5.354 -2.910 13.126 1.00 0.00 C ATOM 1061 OE1 GLU A 75 -5.913 -1.836 13.433 1.00 0.00 O ATOM 1062 OE2 GLU A 75 -5.687 -4.007 13.620 1.00 0.00 O ATOM 0 H GLU A 75 -5.090 -1.946 8.398 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.163 -1.147 10.898 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.460 -3.422 10.473 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.847 -2.907 10.021 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.660 -3.822 12.199 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.527 -2.085 12.390 1.00 0.00 H new ATOM 1069 N LYS A 76 -3.134 -0.074 10.132 1.00 0.00 N ATOM 1070 CA LYS A 76 -2.081 0.872 10.492 1.00 0.00 C ATOM 1071 C LYS A 76 -2.599 2.304 10.457 1.00 0.00 C ATOM 1072 O LYS A 76 -2.422 3.069 11.407 1.00 0.00 O ATOM 1073 CB LYS A 76 -0.891 0.749 9.529 1.00 0.00 C ATOM 1074 CG LYS A 76 -0.313 -0.651 9.422 1.00 0.00 C ATOM 1075 CD LYS A 76 0.161 -1.154 10.767 1.00 0.00 C ATOM 1076 CE LYS A 76 0.580 -2.613 10.710 1.00 0.00 C ATOM 1077 NZ LYS A 76 -0.595 -3.521 10.636 1.00 0.00 N ATOM 0 H LYS A 76 -2.954 -0.592 9.272 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.758 0.632 11.505 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.206 1.076 8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.104 1.430 9.854 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.068 -1.329 9.023 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.519 -0.650 8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.001 -0.548 11.106 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.636 -1.033 11.501 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.219 -2.774 9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.173 -2.856 11.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.269 -4.503 10.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.156 -3.434 11.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.183 -3.262 9.818 1.00 0.00 H new ATOM 1091 N ILE A 77 -3.248 2.653 9.357 1.00 0.00 N ATOM 1092 CA ILE A 77 -3.676 4.025 9.121 1.00 0.00 C ATOM 1093 C ILE A 77 -5.075 4.284 9.674 1.00 0.00 C ATOM 1094 O ILE A 77 -5.572 5.409 9.618 1.00 0.00 O ATOM 1095 CB ILE A 77 -3.675 4.357 7.612 1.00 0.00 C ATOM 1096 CG1 ILE A 77 -4.704 3.494 6.870 1.00 0.00 C ATOM 1097 CG2 ILE A 77 -2.288 4.144 7.026 1.00 0.00 C ATOM 1098 CD1 ILE A 77 -4.813 3.808 5.393 1.00 0.00 C ATOM 0 H ILE A 77 -3.491 2.002 8.610 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.962 4.665 9.640 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.950 5.405 7.489 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.438 2.444 6.990 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.681 3.630 7.334 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.302 4.382 5.962 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.575 4.794 7.534 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.992 3.104 7.162 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.560 3.158 4.937 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.110 4.849 5.263 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.848 3.644 4.914 1.00 0.00 H new ATOM 1110 N GLU A 78 -5.688 3.214 10.205 1.00 0.00 N ATOM 1111 CA GLU A 78 -7.080 3.214 10.676 1.00 0.00 C ATOM 1112 C GLU A 78 -7.995 3.997 9.736 1.00 0.00 C ATOM 1113 O GLU A 78 -8.794 4.830 10.164 1.00 0.00 O ATOM 1114 CB GLU A 78 -7.197 3.694 12.131 1.00 0.00 C ATOM 1115 CG GLU A 78 -6.289 4.852 12.499 1.00 0.00 C ATOM 1116 CD GLU A 78 -6.460 5.277 13.939 1.00 0.00 C ATOM 1117 OE1 GLU A 78 -5.840 4.649 14.823 1.00 0.00 O ATOM 1118 OE2 GLU A 78 -7.218 6.237 14.197 1.00 0.00 O ATOM 0 H GLU A 78 -5.223 2.313 10.320 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.421 2.179 10.662 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.230 3.988 12.319 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -6.978 2.856 12.793 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.251 4.566 12.327 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.499 5.698 11.845 1.00 0.00 H new ATOM 1125 N GLY A 79 -7.873 3.695 8.450 1.00 0.00 N ATOM 1126 CA GLY A 79 -8.649 4.369 7.433 1.00 0.00 C ATOM 1127 C GLY A 79 -8.774 3.516 6.191 1.00 0.00 C ATOM 1128 O GLY A 79 -7.983 2.596 6.004 1.00 0.00 O ATOM 0 H GLY A 79 -7.238 2.982 8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.641 4.600 7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.177 5.318 7.180 1.00 0.00 H new ATOM 1132 N PRO A 80 -9.758 3.795 5.328 1.00 0.00 N ATOM 1133 CA PRO A 80 -9.991 3.007 4.120 1.00 0.00 C ATOM 1134 C PRO A 80 -9.073 3.405 2.964 1.00 0.00 C ATOM 1135 O PRO A 80 -8.689 4.571 2.828 1.00 0.00 O ATOM 1136 CB PRO A 80 -11.444 3.332 3.784 1.00 0.00 C ATOM 1137 CG PRO A 80 -11.640 4.727 4.272 1.00 0.00 C ATOM 1138 CD PRO A 80 -10.728 4.898 5.463 1.00 0.00 C ATOM 0 HA PRO A 80 -9.790 1.947 4.276 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -11.629 3.257 2.712 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -12.129 2.640 4.275 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -11.398 5.448 3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -12.680 4.897 4.552 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.233 5.869 5.451 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.279 4.833 6.401 1.00 0.00 H new ATOM 1146 N LEU A 81 -8.717 2.429 2.145 1.00 0.00 N ATOM 1147 CA LEU A 81 -7.928 2.681 0.950 1.00 0.00 C ATOM 1148 C LEU A 81 -8.746 2.395 -0.301 1.00 0.00 C ATOM 1149 O LEU A 81 -9.512 1.432 -0.348 1.00 0.00 O ATOM 1150 CB LEU A 81 -6.653 1.834 0.950 1.00 0.00 C ATOM 1151 CG LEU A 81 -5.600 2.250 1.972 1.00 0.00 C ATOM 1152 CD1 LEU A 81 -4.375 1.365 1.864 1.00 0.00 C ATOM 1153 CD2 LEU A 81 -5.217 3.703 1.771 1.00 0.00 C ATOM 0 H LEU A 81 -8.964 1.449 2.287 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.644 3.733 0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.926 0.795 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.208 1.875 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.023 2.134 2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.635 1.677 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.657 0.329 2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.950 1.452 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.465 3.986 2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.812 3.837 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.099 4.332 1.893 1.00 0.00 H new ATOM 1165 N CYS A 82 -8.596 3.245 -1.303 1.00 0.00 N ATOM 1166 CA CYS A 82 -9.318 3.092 -2.555 1.00 0.00 C ATOM 1167 C CYS A 82 -8.446 2.396 -3.599 1.00 0.00 C ATOM 1168 O CYS A 82 -7.280 2.749 -3.782 1.00 0.00 O ATOM 1169 CB CYS A 82 -9.775 4.462 -3.062 1.00 0.00 C ATOM 1170 SG CYS A 82 -8.465 5.709 -3.086 1.00 0.00 S ATOM 0 H CYS A 82 -7.976 4.054 -1.273 1.00 0.00 H new ATOM 0 HA CYS A 82 -10.196 2.470 -2.380 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.175 4.351 -4.070 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.590 4.818 -2.432 1.00 0.00 H new ATOM 0 HG CYS A 82 -8.944 6.833 -3.531 1.00 0.00 H new ATOM 1176 N PRO A 83 -8.994 1.368 -4.265 1.00 0.00 N ATOM 1177 CA PRO A 83 -8.295 0.636 -5.329 1.00 0.00 C ATOM 1178 C PRO A 83 -8.051 1.500 -6.565 1.00 0.00 C ATOM 1179 O PRO A 83 -8.953 1.721 -7.377 1.00 0.00 O ATOM 1180 CB PRO A 83 -9.246 -0.523 -5.667 1.00 0.00 C ATOM 1181 CG PRO A 83 -10.214 -0.586 -4.533 1.00 0.00 C ATOM 1182 CD PRO A 83 -10.329 0.816 -4.013 1.00 0.00 C ATOM 0 HA PRO A 83 -7.306 0.308 -5.007 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.759 -0.347 -6.612 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -8.701 -1.461 -5.770 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -11.182 -0.960 -4.866 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -9.861 -1.263 -3.755 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.104 1.378 -4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -10.581 0.834 -2.953 1.00 0.00 H new ATOM 1190 N VAL A 84 -6.828 1.982 -6.697 1.00 0.00 N ATOM 1191 CA VAL A 84 -6.433 2.808 -7.825 1.00 0.00 C ATOM 1192 C VAL A 84 -5.697 1.948 -8.851 1.00 0.00 C ATOM 1193 O VAL A 84 -5.151 0.897 -8.512 1.00 0.00 O ATOM 1194 CB VAL A 84 -5.519 3.977 -7.376 1.00 0.00 C ATOM 1195 CG1 VAL A 84 -5.293 4.971 -8.506 1.00 0.00 C ATOM 1196 CG2 VAL A 84 -6.107 4.682 -6.164 1.00 0.00 C ATOM 0 H VAL A 84 -6.080 1.812 -6.025 1.00 0.00 H new ATOM 0 HA VAL A 84 -7.333 3.233 -8.269 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.553 3.554 -7.102 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.648 5.778 -8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.819 4.465 -9.347 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -6.250 5.384 -8.825 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.451 5.499 -5.864 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -7.090 5.080 -6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -6.202 3.973 -5.341 1.00 0.00 H new ATOM 1206 N GLY A 85 -5.696 2.387 -10.099 1.00 0.00 N ATOM 1207 CA GLY A 85 -5.012 1.658 -11.146 1.00 0.00 C ATOM 1208 C GLY A 85 -5.582 1.984 -12.506 1.00 0.00 C ATOM 1209 O GLY A 85 -5.721 3.159 -12.850 1.00 0.00 O ATOM 0 H GLY A 85 -6.160 3.241 -10.408 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.950 1.902 -11.127 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.097 0.587 -10.961 1.00 0.00 H new TER 1213 GLY A 85