USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 855 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 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 111 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 43 ASN : amide:sc= -2.44! K(o=-6.4!,f=-5.3) USER MOD Set 2.2: A 44 ASN : amide:sc= -3.99! C(o=-6.4!,f=-8.8!) USER MOD Set 3.1: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 128 GLN : amide:sc= 0.00422 K(o=0.0042,f=-0.77) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -79:sc= 0.332 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -170:sc= -0.422 USER MOD Single : A 20 MET CE :methyl -145:sc= -1.47 (180deg=-2.2!) USER MOD Single : A 22 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.66) USER MOD Single : A 25 ASN : amide:sc= -0.0308 X(o=-0.031,f=-0.5) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 177:sc= -2.85! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -5.29! C(o=-5.3!,f=-4!) USER MOD Single : A 53 THR OG1 : rot 65:sc= 1.07 USER MOD Single : A 54 GLN : amide:sc= -0.451 K(o=-0.45,f=-7.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.397 K(o=0.4,f=-5!) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 66 GLN : amide:sc= -0.0668 K(o=-0.067,f=-0.78) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -1.54 K(o=-1.5,f=-3.9!) USER MOD Single : A 76 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.68) USER MOD Single : A 81 ASN : amide:sc=-0.00576 K(o=-0.0058,f=0.53) USER MOD Single : A 82 GLN : amide:sc= -0.964! C(o=-0.96!,f=-4.8!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 150:sc= -0.171 USER MOD Single : A 89 ASN : amide:sc=-0.00497 X(o=-0.005,f=0) USER MOD Single : A 93 SER OG : rot -87:sc= 0.154 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.371 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot -34:sc= 0.0377 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 72:sc= 0.0492 USER MOD Single : A 116 THR OG1 : rot -86:sc= 1.08 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 171:sc= -1.29 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -10.330 13.335 -5.126 1.00 0.00 N ATOM 67 CA VAL A 8 -9.205 12.407 -5.114 1.00 0.00 C ATOM 68 C VAL A 8 -9.139 11.607 -6.410 1.00 0.00 C ATOM 69 O VAL A 8 -10.139 11.048 -6.860 1.00 0.00 O ATOM 70 CB VAL A 8 -9.297 11.431 -3.925 1.00 0.00 C ATOM 71 CG1 VAL A 8 -8.188 10.392 -4.001 1.00 0.00 C ATOM 72 CG2 VAL A 8 -9.239 12.190 -2.608 1.00 0.00 C ATOM 0 HA VAL A 8 -8.300 13.006 -5.014 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.254 10.911 -3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.268 9.711 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.281 9.828 -4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.219 10.891 -3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.305 11.486 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.299 12.738 -2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.072 12.892 -2.555 1.00 0.00 H new ATOM 82 N LYS A 9 -7.953 11.555 -7.006 1.00 0.00 N ATOM 83 CA LYS A 9 -7.753 10.822 -8.250 1.00 0.00 C ATOM 84 C LYS A 9 -7.327 9.384 -7.972 1.00 0.00 C ATOM 85 O LYS A 9 -6.683 9.101 -6.962 1.00 0.00 O ATOM 86 CB LYS A 9 -6.698 11.519 -9.113 1.00 0.00 C ATOM 87 CG LYS A 9 -7.118 12.898 -9.591 1.00 0.00 C ATOM 88 CD LYS A 9 -6.306 13.342 -10.796 1.00 0.00 C ATOM 89 CE LYS A 9 -6.796 12.678 -12.074 1.00 0.00 C ATOM 90 NZ LYS A 9 -6.074 13.184 -13.274 1.00 0.00 N ATOM 0 H LYS A 9 -7.115 12.012 -6.647 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.701 10.804 -8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.774 11.607 -8.542 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.479 10.895 -9.979 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.177 12.888 -9.849 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.994 13.618 -8.782 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.370 14.425 -10.900 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.255 13.098 -10.638 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.661 11.599 -11.997 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.865 12.858 -12.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.437 12.707 -14.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.223 14.209 -13.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.057 12.989 -13.175 1.00 0.00 H new ATOM 104 N PHE A 10 -7.690 8.479 -8.875 1.00 0.00 N ATOM 105 CA PHE A 10 -7.346 7.070 -8.727 1.00 0.00 C ATOM 106 C PHE A 10 -6.152 6.706 -9.606 1.00 0.00 C ATOM 107 O PHE A 10 -5.880 7.368 -10.609 1.00 0.00 O ATOM 108 CB PHE A 10 -8.544 6.189 -9.086 1.00 0.00 C ATOM 109 CG PHE A 10 -9.759 6.457 -8.244 1.00 0.00 C ATOM 110 CD1 PHE A 10 -9.825 6.006 -6.935 1.00 0.00 C ATOM 111 CD2 PHE A 10 -10.834 7.162 -8.760 1.00 0.00 C ATOM 112 CE1 PHE A 10 -10.941 6.251 -6.159 1.00 0.00 C ATOM 113 CE2 PHE A 10 -11.953 7.411 -7.988 1.00 0.00 C ATOM 114 CZ PHE A 10 -12.006 6.955 -6.685 1.00 0.00 C ATOM 0 H PHE A 10 -8.223 8.697 -9.717 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.075 6.896 -7.686 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.797 6.344 -10.135 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.260 5.142 -8.978 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.994 5.457 -6.517 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.797 7.521 -9.778 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.981 5.892 -5.141 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.785 7.961 -8.403 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.879 7.149 -6.079 1.00 0.00 H new ATOM 124 N LEU A 11 -5.442 5.651 -9.222 1.00 0.00 N ATOM 125 CA LEU A 11 -4.277 5.198 -9.974 1.00 0.00 C ATOM 126 C LEU A 11 -3.338 6.362 -10.275 1.00 0.00 C ATOM 127 O LEU A 11 -2.834 6.495 -11.391 1.00 0.00 O ATOM 128 CB LEU A 11 -4.715 4.531 -11.278 1.00 0.00 C ATOM 129 CG LEU A 11 -5.427 3.185 -11.138 1.00 0.00 C ATOM 130 CD1 LEU A 11 -5.944 2.711 -12.487 1.00 0.00 C ATOM 131 CD2 LEU A 11 -4.493 2.149 -10.529 1.00 0.00 C ATOM 0 H LEU A 11 -5.653 5.093 -8.394 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.741 4.471 -9.364 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.377 5.216 -11.808 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.834 4.390 -11.904 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.279 3.314 -10.471 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.448 1.752 -12.367 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.647 3.443 -12.885 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.108 2.598 -13.178 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.016 1.197 -10.437 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.621 2.023 -11.171 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.172 2.484 -9.543 1.00 0.00 H new ATOM 143 N THR A 12 -3.104 7.202 -9.271 1.00 0.00 N ATOM 144 CA THR A 12 -2.225 8.354 -9.428 1.00 0.00 C ATOM 145 C THR A 12 -1.481 8.657 -8.132 1.00 0.00 C ATOM 146 O THR A 12 -2.053 8.584 -7.044 1.00 0.00 O ATOM 147 CB THR A 12 -3.010 9.606 -9.861 1.00 0.00 C ATOM 148 OG1 THR A 12 -4.317 9.590 -9.277 1.00 0.00 O ATOM 149 CG2 THR A 12 -3.127 9.674 -11.376 1.00 0.00 C ATOM 0 H THR A 12 -3.511 7.106 -8.341 1.00 0.00 H new ATOM 0 HA THR A 12 -1.506 8.099 -10.206 1.00 0.00 H new ATOM 0 HB THR A 12 -2.468 10.486 -9.515 1.00 0.00 H new ATOM 0 HG1 THR A 12 -4.894 8.981 -9.783 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.685 10.567 -11.658 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.131 9.715 -11.816 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.649 8.789 -11.741 1.00 0.00 H new ATOM 157 N VAL A 13 -0.202 9.000 -8.256 1.00 0.00 N ATOM 158 CA VAL A 13 0.620 9.317 -7.094 1.00 0.00 C ATOM 159 C VAL A 13 0.323 10.721 -6.578 1.00 0.00 C ATOM 160 O VAL A 13 0.670 11.714 -7.216 1.00 0.00 O ATOM 161 CB VAL A 13 2.121 9.209 -7.422 1.00 0.00 C ATOM 162 CG1 VAL A 13 2.960 9.572 -6.207 1.00 0.00 C ATOM 163 CG2 VAL A 13 2.458 7.810 -7.914 1.00 0.00 C ATOM 0 H VAL A 13 0.287 9.065 -9.149 1.00 0.00 H new ATOM 0 HA VAL A 13 0.372 8.589 -6.322 1.00 0.00 H new ATOM 0 HB VAL A 13 2.354 9.916 -8.218 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.018 9.490 -6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.737 10.595 -5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.727 8.892 -5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.522 7.751 -8.141 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.211 7.083 -7.140 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.882 7.592 -8.814 1.00 0.00 H new ATOM 173 N ASN A 14 -0.320 10.795 -5.417 1.00 0.00 N ATOM 174 CA ASN A 14 -0.663 12.078 -4.814 1.00 0.00 C ATOM 175 C ASN A 14 0.509 12.631 -4.009 1.00 0.00 C ATOM 176 O ASN A 14 0.916 12.048 -3.004 1.00 0.00 O ATOM 177 CB ASN A 14 -1.890 11.929 -3.913 1.00 0.00 C ATOM 178 CG ASN A 14 -3.021 11.183 -4.594 1.00 0.00 C ATOM 179 OD1 ASN A 14 -3.561 11.638 -5.603 1.00 0.00 O ATOM 180 ND2 ASN A 14 -3.385 10.030 -4.044 1.00 0.00 N ATOM 0 H ASN A 14 -0.614 9.982 -4.875 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.893 12.779 -5.616 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.607 11.401 -3.003 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.239 12.917 -3.613 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.140 9.483 -4.458 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.909 9.691 -3.208 1.00 0.00 H new ATOM 187 N ASP A 15 1.047 13.760 -4.457 1.00 0.00 N ATOM 188 CA ASP A 15 2.171 14.395 -3.778 1.00 0.00 C ATOM 189 C ASP A 15 2.012 14.303 -2.264 1.00 0.00 C ATOM 190 O ASP A 15 2.909 13.834 -1.563 1.00 0.00 O ATOM 191 CB ASP A 15 2.291 15.859 -4.204 1.00 0.00 C ATOM 192 CG ASP A 15 3.091 16.027 -5.480 1.00 0.00 C ATOM 193 OD1 ASP A 15 4.337 15.992 -5.409 1.00 0.00 O ATOM 194 OD2 ASP A 15 2.471 16.193 -6.551 1.00 0.00 O ATOM 0 H ASP A 15 0.723 14.255 -5.288 1.00 0.00 H new ATOM 0 HA ASP A 15 3.081 13.867 -4.062 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.294 16.276 -4.346 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.764 16.429 -3.404 1.00 0.00 H new ATOM 199 N ASP A 16 0.867 14.756 -1.766 1.00 0.00 N ATOM 200 CA ASP A 16 0.591 14.726 -0.334 1.00 0.00 C ATOM 201 C ASP A 16 1.174 13.469 0.305 1.00 0.00 C ATOM 202 O ASP A 16 0.608 12.382 0.188 1.00 0.00 O ATOM 203 CB ASP A 16 -0.917 14.789 -0.082 1.00 0.00 C ATOM 204 CG ASP A 16 -1.458 16.203 -0.159 1.00 0.00 C ATOM 205 OD1 ASP A 16 -1.458 16.779 -1.267 1.00 0.00 O ATOM 206 OD2 ASP A 16 -1.882 16.733 0.889 1.00 0.00 O ATOM 0 H ASP A 16 0.115 15.148 -2.332 1.00 0.00 H new ATOM 0 HA ASP A 16 1.064 15.596 0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.431 14.166 -0.814 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.136 14.372 0.901 1.00 0.00 H new ATOM 211 N ILE A 17 2.307 13.627 0.981 1.00 0.00 N ATOM 212 CA ILE A 17 2.966 12.505 1.638 1.00 0.00 C ATOM 213 C ILE A 17 2.278 12.158 2.954 1.00 0.00 C ATOM 214 O ILE A 17 1.973 13.039 3.759 1.00 0.00 O ATOM 215 CB ILE A 17 4.451 12.807 1.912 1.00 0.00 C ATOM 216 CG1 ILE A 17 4.589 14.073 2.759 1.00 0.00 C ATOM 217 CG2 ILE A 17 5.212 12.953 0.603 1.00 0.00 C ATOM 218 CD1 ILE A 17 6.022 14.418 3.102 1.00 0.00 C ATOM 0 H ILE A 17 2.787 14.520 1.088 1.00 0.00 H new ATOM 0 HA ILE A 17 2.896 11.655 0.959 1.00 0.00 H new ATOM 0 HB ILE A 17 4.880 11.973 2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.141 14.910 2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.023 13.946 3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.260 13.166 0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.137 12.027 0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.785 13.771 0.023 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.043 15.327 3.704 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.469 13.599 3.666 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.588 14.577 2.184 1.00 0.00 H new ATOM 230 N LEU A 18 2.039 10.869 3.168 1.00 0.00 N ATOM 231 CA LEU A 18 1.388 10.404 4.389 1.00 0.00 C ATOM 232 C LEU A 18 1.850 8.996 4.749 1.00 0.00 C ATOM 233 O LEU A 18 2.047 8.153 3.873 1.00 0.00 O ATOM 234 CB LEU A 18 -0.132 10.428 4.221 1.00 0.00 C ATOM 235 CG LEU A 18 -0.786 11.810 4.217 1.00 0.00 C ATOM 236 CD1 LEU A 18 -2.284 11.691 3.989 1.00 0.00 C ATOM 237 CD2 LEU A 18 -0.499 12.538 5.522 1.00 0.00 C ATOM 0 H LEU A 18 2.286 10.127 2.513 1.00 0.00 H new ATOM 0 HA LEU A 18 1.668 11.077 5.200 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.382 9.927 3.286 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.575 9.841 5.025 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.360 12.391 3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.732 12.685 3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.469 11.210 3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.727 11.093 4.785 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.972 13.520 5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.897 11.960 6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.578 12.656 5.644 1.00 0.00 H new ATOM 249 N SER A 19 2.019 8.747 6.044 1.00 0.00 N ATOM 250 CA SER A 19 2.459 7.441 6.520 1.00 0.00 C ATOM 251 C SER A 19 1.481 6.350 6.096 1.00 0.00 C ATOM 252 O SER A 19 0.357 6.636 5.685 1.00 0.00 O ATOM 253 CB SER A 19 2.601 7.451 8.043 1.00 0.00 C ATOM 254 OG SER A 19 1.342 7.626 8.671 1.00 0.00 O ATOM 0 H SER A 19 1.858 9.433 6.782 1.00 0.00 H new ATOM 0 HA SER A 19 3.430 7.227 6.073 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.050 6.515 8.376 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.275 8.253 8.343 1.00 0.00 H new ATOM 0 HG SER A 19 1.474 7.787 9.629 1.00 0.00 H new ATOM 260 N MET A 20 1.917 5.099 6.200 1.00 0.00 N ATOM 261 CA MET A 20 1.080 3.965 5.829 1.00 0.00 C ATOM 262 C MET A 20 -0.264 4.023 6.548 1.00 0.00 C ATOM 263 O MET A 20 -1.328 3.931 5.934 1.00 0.00 O ATOM 264 CB MET A 20 1.790 2.650 6.157 1.00 0.00 C ATOM 265 CG MET A 20 1.510 1.542 5.156 1.00 0.00 C ATOM 266 SD MET A 20 0.095 0.525 5.622 1.00 0.00 S ATOM 267 CE MET A 20 -0.379 -0.145 4.030 1.00 0.00 C ATOM 0 H MET A 20 2.845 4.845 6.538 1.00 0.00 H new ATOM 0 HA MET A 20 0.900 4.015 4.755 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.865 2.828 6.199 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.483 2.318 7.149 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.329 1.981 4.175 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.393 0.909 5.064 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.464 -0.244 3.985 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.043 0.525 3.239 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.081 -1.124 3.896 1.00 0.00 H new ATOM 277 N PRO A 21 -0.218 4.179 7.879 1.00 0.00 N ATOM 278 CA PRO A 21 -1.424 4.253 8.710 1.00 0.00 C ATOM 279 C PRO A 21 -2.203 5.545 8.487 1.00 0.00 C ATOM 280 O PRO A 21 -3.280 5.735 9.050 1.00 0.00 O ATOM 281 CB PRO A 21 -0.875 4.199 10.138 1.00 0.00 C ATOM 282 CG PRO A 21 0.515 4.723 10.029 1.00 0.00 C ATOM 283 CD PRO A 21 1.014 4.296 8.676 1.00 0.00 C ATOM 0 HA PRO A 21 -2.128 3.453 8.479 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.475 4.806 10.816 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.885 3.181 10.528 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.531 5.809 10.126 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.146 4.322 10.822 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.699 5.029 8.251 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.551 3.349 8.726 1.00 0.00 H new ATOM 291 N GLN A 22 -1.651 6.429 7.662 1.00 0.00 N ATOM 292 CA GLN A 22 -2.295 7.703 7.366 1.00 0.00 C ATOM 293 C GLN A 22 -2.856 7.712 5.948 1.00 0.00 C ATOM 294 O GLN A 22 -3.861 8.367 5.672 1.00 0.00 O ATOM 295 CB GLN A 22 -1.303 8.853 7.542 1.00 0.00 C ATOM 296 CG GLN A 22 -1.100 9.266 8.991 1.00 0.00 C ATOM 297 CD GLN A 22 -2.307 9.978 9.569 1.00 0.00 C ATOM 298 OE1 GLN A 22 -3.257 9.343 10.026 1.00 0.00 O ATOM 299 NE2 GLN A 22 -2.275 11.306 9.552 1.00 0.00 N ATOM 0 H GLN A 22 -0.760 6.286 7.187 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.121 7.835 8.065 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.342 8.561 7.118 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.654 9.714 6.973 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.883 8.382 9.590 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.230 9.919 9.060 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.467 11.792 9.163 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.059 11.840 9.928 1.00 0.00 H new ATOM 308 N ALA A 23 -2.201 6.981 5.052 1.00 0.00 N ATOM 309 CA ALA A 23 -2.636 6.904 3.663 1.00 0.00 C ATOM 310 C ALA A 23 -3.861 6.007 3.520 1.00 0.00 C ATOM 311 O ALA A 23 -4.915 6.449 3.064 1.00 0.00 O ATOM 312 CB ALA A 23 -1.503 6.397 2.783 1.00 0.00 C ATOM 0 H ALA A 23 -1.367 6.433 5.264 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.913 7.907 3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.842 6.344 1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.655 7.078 2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.200 5.405 3.116 1.00 0.00 H new ATOM 318 N ARG A 24 -3.714 4.746 3.912 1.00 0.00 N ATOM 319 CA ARG A 24 -4.808 3.787 3.826 1.00 0.00 C ATOM 320 C ARG A 24 -6.098 4.381 4.384 1.00 0.00 C ATOM 321 O ARG A 24 -7.175 4.194 3.819 1.00 0.00 O ATOM 322 CB ARG A 24 -4.454 2.507 4.585 1.00 0.00 C ATOM 323 CG ARG A 24 -4.224 2.724 6.071 1.00 0.00 C ATOM 324 CD ARG A 24 -3.749 1.451 6.753 1.00 0.00 C ATOM 325 NE ARG A 24 -4.048 1.451 8.183 1.00 0.00 N ATOM 326 CZ ARG A 24 -3.802 0.421 8.985 1.00 0.00 C ATOM 327 NH1 ARG A 24 -3.256 -0.685 8.501 1.00 0.00 N ATOM 328 NH2 ARG A 24 -4.102 0.497 10.275 1.00 0.00 N ATOM 0 H ARG A 24 -2.848 4.365 4.292 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.964 3.547 2.774 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.257 1.782 4.452 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.556 2.071 4.147 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.485 3.512 6.215 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.148 3.065 6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.224 0.590 6.284 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.674 1.341 6.607 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.469 2.288 8.588 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.023 -0.747 7.510 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.068 -1.474 9.120 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.522 1.347 10.652 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.913 -0.294 10.890 1.00 0.00 H new ATOM 342 N ASN A 25 -5.980 5.098 5.497 1.00 0.00 N ATOM 343 CA ASN A 25 -7.136 5.720 6.132 1.00 0.00 C ATOM 344 C ASN A 25 -7.716 6.820 5.249 1.00 0.00 C ATOM 345 O ASN A 25 -8.926 7.049 5.238 1.00 0.00 O ATOM 346 CB ASN A 25 -6.747 6.297 7.495 1.00 0.00 C ATOM 347 CG ASN A 25 -7.637 7.452 7.909 1.00 0.00 C ATOM 348 OD1 ASN A 25 -8.859 7.317 7.973 1.00 0.00 O ATOM 349 ND2 ASN A 25 -7.026 8.597 8.193 1.00 0.00 N ATOM 0 H ASN A 25 -5.096 5.263 5.978 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.897 4.953 6.273 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.802 5.511 8.248 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.711 6.634 7.461 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.573 9.410 8.478 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.010 8.663 8.126 1.00 0.00 H new ATOM 356 N PHE A 26 -6.846 7.498 4.508 1.00 0.00 N ATOM 357 CA PHE A 26 -7.271 8.574 3.622 1.00 0.00 C ATOM 358 C PHE A 26 -8.058 8.024 2.436 1.00 0.00 C ATOM 359 O PHE A 26 -9.255 8.280 2.298 1.00 0.00 O ATOM 360 CB PHE A 26 -6.058 9.361 3.121 1.00 0.00 C ATOM 361 CG PHE A 26 -6.411 10.466 2.168 1.00 0.00 C ATOM 362 CD1 PHE A 26 -6.544 10.214 0.812 1.00 0.00 C ATOM 363 CD2 PHE A 26 -6.612 11.758 2.628 1.00 0.00 C ATOM 364 CE1 PHE A 26 -6.869 11.230 -0.067 1.00 0.00 C ATOM 365 CE2 PHE A 26 -6.938 12.778 1.753 1.00 0.00 C ATOM 366 CZ PHE A 26 -7.067 12.513 0.404 1.00 0.00 C ATOM 0 H PHE A 26 -5.842 7.321 4.504 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.920 9.241 4.189 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.531 9.784 3.976 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.368 8.675 2.630 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.392 9.212 0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.513 11.971 3.682 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.968 11.021 -1.122 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.091 13.781 2.124 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.322 13.308 -0.281 1.00 0.00 H new ATOM 376 N CYS A 27 -7.378 7.266 1.583 1.00 0.00 N ATOM 377 CA CYS A 27 -8.012 6.679 0.408 1.00 0.00 C ATOM 378 C CYS A 27 -9.400 6.145 0.748 1.00 0.00 C ATOM 379 O CYS A 27 -10.374 6.434 0.054 1.00 0.00 O ATOM 380 CB CYS A 27 -7.144 5.551 -0.155 1.00 0.00 C ATOM 381 SG CYS A 27 -5.588 6.118 -0.914 1.00 0.00 S ATOM 0 H CYS A 27 -6.388 7.043 1.683 1.00 0.00 H new ATOM 0 HA CYS A 27 -8.117 7.460 -0.345 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.910 4.852 0.648 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.720 5.001 -0.900 1.00 0.00 H new ATOM 386 N ALA A 28 -9.482 5.367 1.822 1.00 0.00 N ATOM 387 CA ALA A 28 -10.751 4.795 2.256 1.00 0.00 C ATOM 388 C ALA A 28 -11.823 5.872 2.386 1.00 0.00 C ATOM 389 O ALA A 28 -12.952 5.696 1.930 1.00 0.00 O ATOM 390 CB ALA A 28 -10.575 4.061 3.577 1.00 0.00 C ATOM 0 H ALA A 28 -8.685 5.118 2.408 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.078 4.083 1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.530 3.639 3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.847 3.259 3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.221 4.758 4.336 1.00 0.00 H new ATOM 396 N SER A 29 -11.461 6.988 3.012 1.00 0.00 N ATOM 397 CA SER A 29 -12.393 8.092 3.206 1.00 0.00 C ATOM 398 C SER A 29 -12.820 8.685 1.866 1.00 0.00 C ATOM 399 O SER A 29 -13.992 8.996 1.659 1.00 0.00 O ATOM 400 CB SER A 29 -11.757 9.177 4.077 1.00 0.00 C ATOM 401 OG SER A 29 -12.636 10.275 4.247 1.00 0.00 O ATOM 0 H SER A 29 -10.529 7.151 3.393 1.00 0.00 H new ATOM 0 HA SER A 29 -13.278 7.703 3.710 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.498 8.761 5.050 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.829 9.518 3.619 1.00 0.00 H new ATOM 0 HG SER A 29 -12.207 10.954 4.809 1.00 0.00 H new ATOM 407 N ALA A 30 -11.859 8.837 0.961 1.00 0.00 N ATOM 408 CA ALA A 30 -12.135 9.389 -0.359 1.00 0.00 C ATOM 409 C ALA A 30 -13.054 8.472 -1.158 1.00 0.00 C ATOM 410 O ALA A 30 -13.893 8.935 -1.929 1.00 0.00 O ATOM 411 CB ALA A 30 -10.835 9.625 -1.115 1.00 0.00 C ATOM 0 H ALA A 30 -10.883 8.586 1.118 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.644 10.343 -0.226 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.056 10.037 -2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.213 10.327 -0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.304 8.680 -1.229 1.00 0.00 H new ATOM 417 N GLY A 31 -12.889 7.166 -0.969 1.00 0.00 N ATOM 418 CA GLY A 31 -13.710 6.204 -1.680 1.00 0.00 C ATOM 419 C GLY A 31 -12.885 5.203 -2.464 1.00 0.00 C ATOM 420 O GLY A 31 -13.248 4.824 -3.576 1.00 0.00 O ATOM 0 H GLY A 31 -12.201 6.757 -0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.340 5.672 -0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.376 6.733 -2.361 1.00 0.00 H new ATOM 424 N GLY A 32 -11.768 4.775 -1.883 1.00 0.00 N ATOM 425 CA GLY A 32 -10.905 3.817 -2.549 1.00 0.00 C ATOM 426 C GLY A 32 -10.001 3.079 -1.582 1.00 0.00 C ATOM 427 O GLY A 32 -10.295 2.993 -0.389 1.00 0.00 O ATOM 0 H GLY A 32 -11.446 5.075 -0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.518 3.096 -3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.294 4.336 -3.288 1.00 0.00 H new ATOM 431 N TYR A 33 -8.899 2.545 -2.095 1.00 0.00 N ATOM 432 CA TYR A 33 -7.951 1.806 -1.269 1.00 0.00 C ATOM 433 C TYR A 33 -6.617 1.636 -1.990 1.00 0.00 C ATOM 434 O TYR A 33 -6.562 1.603 -3.220 1.00 0.00 O ATOM 435 CB TYR A 33 -8.523 0.436 -0.900 1.00 0.00 C ATOM 436 CG TYR A 33 -8.987 -0.367 -2.094 1.00 0.00 C ATOM 437 CD1 TYR A 33 -8.083 -0.810 -3.052 1.00 0.00 C ATOM 438 CD2 TYR A 33 -10.329 -0.685 -2.263 1.00 0.00 C ATOM 439 CE1 TYR A 33 -8.503 -1.544 -4.144 1.00 0.00 C ATOM 440 CE2 TYR A 33 -10.757 -1.420 -3.352 1.00 0.00 C ATOM 441 CZ TYR A 33 -9.840 -1.846 -4.290 1.00 0.00 C ATOM 442 OH TYR A 33 -10.262 -2.578 -5.376 1.00 0.00 O ATOM 0 H TYR A 33 -8.639 2.610 -3.079 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.780 2.378 -0.357 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -7.764 -0.133 -0.363 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.361 0.573 -0.217 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.034 -0.576 -2.941 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -11.050 -0.352 -1.531 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.787 -1.880 -4.880 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.804 -1.660 -3.468 1.00 0.00 H new ATOM 0 HH TYR A 33 -11.233 -2.704 -5.328 1.00 0.00 H new ATOM 452 N LEU A 34 -5.544 1.527 -1.215 1.00 0.00 N ATOM 453 CA LEU A 34 -4.208 1.359 -1.777 1.00 0.00 C ATOM 454 C LEU A 34 -4.233 0.396 -2.960 1.00 0.00 C ATOM 455 O LEU A 34 -4.832 -0.676 -2.889 1.00 0.00 O ATOM 456 CB LEU A 34 -3.244 0.845 -0.707 1.00 0.00 C ATOM 457 CG LEU A 34 -2.825 1.857 0.361 1.00 0.00 C ATOM 458 CD1 LEU A 34 -2.196 1.148 1.550 1.00 0.00 C ATOM 459 CD2 LEU A 34 -1.862 2.880 -0.223 1.00 0.00 C ATOM 0 H LEU A 34 -5.573 1.552 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.864 2.331 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.706 -0.008 -0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.346 0.477 -1.202 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.716 2.382 0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.904 1.884 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.917 0.455 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.315 0.597 1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.574 3.592 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.973 2.371 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.347 3.411 -1.042 1.00 0.00 H new ATOM 471 N ALA A 35 -3.575 0.786 -4.048 1.00 0.00 N ATOM 472 CA ALA A 35 -3.518 -0.044 -5.244 1.00 0.00 C ATOM 473 C ALA A 35 -2.437 -1.111 -5.121 1.00 0.00 C ATOM 474 O ALA A 35 -1.249 -0.799 -5.038 1.00 0.00 O ATOM 475 CB ALA A 35 -3.273 0.819 -6.474 1.00 0.00 C ATOM 0 H ALA A 35 -3.074 1.671 -4.125 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.478 -0.548 -5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.233 0.186 -7.360 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.083 1.540 -6.580 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.327 1.350 -6.364 1.00 0.00 H new ATOM 481 N ASP A 36 -2.855 -2.372 -5.109 1.00 0.00 N ATOM 482 CA ASP A 36 -1.922 -3.487 -4.996 1.00 0.00 C ATOM 483 C ASP A 36 -1.033 -3.579 -6.232 1.00 0.00 C ATOM 484 O ASP A 36 -1.318 -2.965 -7.261 1.00 0.00 O ATOM 485 CB ASP A 36 -2.682 -4.799 -4.801 1.00 0.00 C ATOM 486 CG ASP A 36 -3.771 -4.687 -3.751 1.00 0.00 C ATOM 487 OD1 ASP A 36 -3.433 -4.625 -2.551 1.00 0.00 O ATOM 488 OD2 ASP A 36 -4.961 -4.661 -4.131 1.00 0.00 O ATOM 0 H ASP A 36 -3.835 -2.648 -5.176 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.288 -3.311 -4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.125 -5.103 -5.749 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.981 -5.582 -4.511 1.00 0.00 H new ATOM 493 N ASP A 37 0.045 -4.347 -6.124 1.00 0.00 N ATOM 494 CA ASP A 37 0.976 -4.520 -7.233 1.00 0.00 C ATOM 495 C ASP A 37 1.279 -5.997 -7.463 1.00 0.00 C ATOM 496 O ASP A 37 2.406 -6.450 -7.258 1.00 0.00 O ATOM 497 CB ASP A 37 2.274 -3.757 -6.961 1.00 0.00 C ATOM 498 CG ASP A 37 2.198 -2.309 -7.404 1.00 0.00 C ATOM 499 OD1 ASP A 37 1.138 -1.680 -7.200 1.00 0.00 O ATOM 500 OD2 ASP A 37 3.198 -1.804 -7.954 1.00 0.00 O ATOM 0 H ASP A 37 0.296 -4.860 -5.279 1.00 0.00 H new ATOM 0 HA ASP A 37 0.509 -4.119 -8.133 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.499 -3.797 -5.895 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.097 -4.250 -7.479 1.00 0.00 H new ATOM 505 N LEU A 38 0.267 -6.743 -7.890 1.00 0.00 N ATOM 506 CA LEU A 38 0.424 -8.171 -8.147 1.00 0.00 C ATOM 507 C LEU A 38 0.204 -8.485 -9.624 1.00 0.00 C ATOM 508 O LEU A 38 -0.926 -8.690 -10.064 1.00 0.00 O ATOM 509 CB LEU A 38 -0.557 -8.975 -7.292 1.00 0.00 C ATOM 510 CG LEU A 38 -2.015 -8.517 -7.334 1.00 0.00 C ATOM 511 CD1 LEU A 38 -2.935 -9.618 -6.827 1.00 0.00 C ATOM 512 CD2 LEU A 38 -2.200 -7.247 -6.517 1.00 0.00 C ATOM 0 H LEU A 38 -0.671 -6.384 -8.066 1.00 0.00 H new ATOM 0 HA LEU A 38 1.443 -8.453 -7.881 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.515 -10.017 -7.609 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.217 -8.943 -6.257 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.277 -8.300 -8.369 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.969 -9.274 -6.864 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.824 -10.502 -7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.672 -9.867 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.244 -6.936 -6.559 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.919 -7.437 -5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.570 -6.457 -6.925 1.00 0.00 H new ATOM 524 N GLY A 39 1.294 -8.522 -10.384 1.00 0.00 N ATOM 525 CA GLY A 39 1.200 -8.814 -11.803 1.00 0.00 C ATOM 526 C GLY A 39 2.178 -8.002 -12.628 1.00 0.00 C ATOM 527 O GLY A 39 2.292 -6.789 -12.452 1.00 0.00 O ATOM 0 H GLY A 39 2.241 -8.355 -10.043 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.386 -9.876 -11.965 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.185 -8.612 -12.146 1.00 0.00 H new ATOM 531 N ASP A 40 2.887 -8.672 -13.530 1.00 0.00 N ATOM 532 CA ASP A 40 3.861 -8.005 -14.386 1.00 0.00 C ATOM 533 C ASP A 40 3.242 -6.790 -15.070 1.00 0.00 C ATOM 534 O ASP A 40 3.857 -5.726 -15.143 1.00 0.00 O ATOM 535 CB ASP A 40 4.400 -8.978 -15.436 1.00 0.00 C ATOM 536 CG ASP A 40 3.297 -9.594 -16.274 1.00 0.00 C ATOM 537 OD1 ASP A 40 2.583 -10.479 -15.757 1.00 0.00 O ATOM 538 OD2 ASP A 40 3.147 -9.193 -17.447 1.00 0.00 O ATOM 0 H ASP A 40 2.805 -9.676 -13.687 1.00 0.00 H new ATOM 0 HA ASP A 40 4.686 -7.665 -13.760 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.098 -8.454 -16.088 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.961 -9.770 -14.940 1.00 0.00 H new ATOM 543 N ASP A 41 2.023 -6.957 -15.570 1.00 0.00 N ATOM 544 CA ASP A 41 1.320 -5.874 -16.249 1.00 0.00 C ATOM 545 C ASP A 41 0.995 -4.744 -15.276 1.00 0.00 C ATOM 546 O ASP A 41 1.139 -3.566 -15.606 1.00 0.00 O ATOM 547 CB ASP A 41 0.034 -6.396 -16.892 1.00 0.00 C ATOM 548 CG ASP A 41 -0.540 -5.427 -17.907 1.00 0.00 C ATOM 549 OD1 ASP A 41 -1.014 -4.348 -17.494 1.00 0.00 O ATOM 550 OD2 ASP A 41 -0.516 -5.748 -19.114 1.00 0.00 O ATOM 0 H ASP A 41 1.501 -7.832 -15.518 1.00 0.00 H new ATOM 0 HA ASP A 41 1.973 -5.482 -17.029 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.236 -7.350 -17.379 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.707 -6.585 -16.115 1.00 0.00 H new ATOM 555 N LYS A 42 0.555 -5.110 -14.078 1.00 0.00 N ATOM 556 CA LYS A 42 0.209 -4.129 -13.056 1.00 0.00 C ATOM 557 C LYS A 42 1.439 -3.337 -12.623 1.00 0.00 C ATOM 558 O LYS A 42 1.482 -2.116 -12.759 1.00 0.00 O ATOM 559 CB LYS A 42 -0.417 -4.823 -11.844 1.00 0.00 C ATOM 560 CG LYS A 42 -1.390 -3.945 -11.076 1.00 0.00 C ATOM 561 CD LYS A 42 -2.674 -3.720 -11.857 1.00 0.00 C ATOM 562 CE LYS A 42 -3.317 -2.389 -11.500 1.00 0.00 C ATOM 563 NZ LYS A 42 -4.458 -2.064 -12.401 1.00 0.00 N ATOM 0 H LYS A 42 0.429 -6.080 -13.790 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.515 -3.436 -13.484 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.937 -5.721 -12.178 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.377 -5.146 -11.171 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.623 -4.410 -10.118 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.922 -2.985 -10.859 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.461 -3.747 -12.926 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.373 -4.530 -11.651 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.667 -2.420 -10.468 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.570 -1.597 -11.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.869 -1.149 -12.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.120 -2.009 -13.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.183 -2.806 -12.325 1.00 0.00 H new ATOM 577 N ASN A 43 2.438 -4.043 -12.103 1.00 0.00 N ATOM 578 CA ASN A 43 3.669 -3.406 -11.651 1.00 0.00 C ATOM 579 C ASN A 43 4.265 -2.532 -12.751 1.00 0.00 C ATOM 580 O ASN A 43 4.491 -1.338 -12.555 1.00 0.00 O ATOM 581 CB ASN A 43 4.686 -4.464 -11.218 1.00 0.00 C ATOM 582 CG ASN A 43 6.113 -3.952 -11.277 1.00 0.00 C ATOM 583 OD1 ASN A 43 6.683 -3.551 -10.262 1.00 0.00 O ATOM 584 ND2 ASN A 43 6.697 -3.965 -12.470 1.00 0.00 N ATOM 0 H ASN A 43 2.419 -5.056 -11.984 1.00 0.00 H new ATOM 0 HA ASN A 43 3.428 -2.772 -10.798 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.460 -4.787 -10.202 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.590 -5.340 -11.859 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.656 -3.634 -12.572 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.186 -4.306 -13.284 1.00 0.00 H new ATOM 591 N ASN A 44 4.516 -3.135 -13.908 1.00 0.00 N ATOM 592 CA ASN A 44 5.085 -2.412 -15.040 1.00 0.00 C ATOM 593 C ASN A 44 4.399 -1.062 -15.223 1.00 0.00 C ATOM 594 O ASN A 44 5.058 -0.029 -15.337 1.00 0.00 O ATOM 595 CB ASN A 44 4.954 -3.241 -16.319 1.00 0.00 C ATOM 596 CG ASN A 44 5.803 -4.497 -16.283 1.00 0.00 C ATOM 597 OD1 ASN A 44 6.616 -4.685 -15.378 1.00 0.00 O ATOM 598 ND2 ASN A 44 5.617 -5.365 -17.271 1.00 0.00 N ATOM 0 H ASN A 44 4.334 -4.123 -14.087 1.00 0.00 H new ATOM 0 HA ASN A 44 6.141 -2.238 -14.835 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.909 -3.516 -16.465 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.246 -2.632 -17.175 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.159 -6.228 -17.300 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.932 -5.168 -18.001 1.00 0.00 H new ATOM 605 N PHE A 45 3.070 -1.078 -15.250 1.00 0.00 N ATOM 606 CA PHE A 45 2.294 0.144 -15.420 1.00 0.00 C ATOM 607 C PHE A 45 2.684 1.186 -14.374 1.00 0.00 C ATOM 608 O PHE A 45 2.849 2.365 -14.688 1.00 0.00 O ATOM 609 CB PHE A 45 0.797 -0.159 -15.321 1.00 0.00 C ATOM 610 CG PHE A 45 -0.027 1.025 -14.901 1.00 0.00 C ATOM 611 CD1 PHE A 45 -0.305 2.045 -15.796 1.00 0.00 C ATOM 612 CD2 PHE A 45 -0.525 1.117 -13.611 1.00 0.00 C ATOM 613 CE1 PHE A 45 -1.064 3.135 -15.414 1.00 0.00 C ATOM 614 CE2 PHE A 45 -1.284 2.204 -13.223 1.00 0.00 C ATOM 615 CZ PHE A 45 -1.553 3.215 -14.125 1.00 0.00 C ATOM 0 H PHE A 45 2.508 -1.924 -15.156 1.00 0.00 H new ATOM 0 HA PHE A 45 2.511 0.548 -16.409 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.441 -0.514 -16.288 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.645 -0.969 -14.608 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.076 1.988 -16.805 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.317 0.330 -12.901 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.274 3.923 -16.122 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.667 2.263 -12.215 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.145 4.066 -13.823 1.00 0.00 H new ATOM 625 N TYR A 46 2.828 0.741 -13.131 1.00 0.00 N ATOM 626 CA TYR A 46 3.195 1.634 -12.038 1.00 0.00 C ATOM 627 C TYR A 46 4.624 2.143 -12.207 1.00 0.00 C ATOM 628 O TYR A 46 4.866 3.350 -12.229 1.00 0.00 O ATOM 629 CB TYR A 46 3.054 0.915 -10.695 1.00 0.00 C ATOM 630 CG TYR A 46 1.618 0.699 -10.273 1.00 0.00 C ATOM 631 CD1 TYR A 46 0.684 1.723 -10.364 1.00 0.00 C ATOM 632 CD2 TYR A 46 1.196 -0.531 -9.782 1.00 0.00 C ATOM 633 CE1 TYR A 46 -0.628 1.530 -9.978 1.00 0.00 C ATOM 634 CE2 TYR A 46 -0.115 -0.733 -9.396 1.00 0.00 C ATOM 635 CZ TYR A 46 -1.023 0.300 -9.495 1.00 0.00 C ATOM 636 OH TYR A 46 -2.329 0.104 -9.111 1.00 0.00 O ATOM 0 H TYR A 46 2.696 -0.232 -12.855 1.00 0.00 H new ATOM 0 HA TYR A 46 2.519 2.489 -12.058 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.556 -0.051 -10.755 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.567 1.494 -9.927 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.989 2.687 -10.743 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.905 -1.342 -9.701 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.341 2.338 -10.054 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.427 -1.695 -9.018 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.454 -0.830 -8.841 1.00 0.00 H new ATOM 646 N SER A 47 5.566 1.213 -12.327 1.00 0.00 N ATOM 647 CA SER A 47 6.971 1.566 -12.491 1.00 0.00 C ATOM 648 C SER A 47 7.119 2.842 -13.315 1.00 0.00 C ATOM 649 O SER A 47 7.923 3.715 -12.990 1.00 0.00 O ATOM 650 CB SER A 47 7.732 0.421 -13.162 1.00 0.00 C ATOM 651 OG SER A 47 9.104 0.741 -13.316 1.00 0.00 O ATOM 0 H SER A 47 5.382 0.210 -12.314 1.00 0.00 H new ATOM 0 HA SER A 47 7.393 1.742 -11.502 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.632 -0.485 -12.565 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.293 0.211 -14.137 1.00 0.00 H new ATOM 0 HG SER A 47 9.568 -0.007 -13.746 1.00 0.00 H new ATOM 657 N SER A 48 6.335 2.941 -14.384 1.00 0.00 N ATOM 658 CA SER A 48 6.380 4.107 -15.259 1.00 0.00 C ATOM 659 C SER A 48 6.089 5.384 -14.477 1.00 0.00 C ATOM 660 O SER A 48 6.924 6.286 -14.405 1.00 0.00 O ATOM 661 CB SER A 48 5.374 3.954 -16.401 1.00 0.00 C ATOM 662 OG SER A 48 5.683 2.829 -17.205 1.00 0.00 O ATOM 0 H SER A 48 5.661 2.228 -14.665 1.00 0.00 H new ATOM 0 HA SER A 48 7.384 4.178 -15.677 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.369 3.848 -15.993 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.376 4.855 -17.015 1.00 0.00 H new ATOM 0 HG SER A 48 5.025 2.752 -17.927 1.00 0.00 H new ATOM 668 N ILE A 49 4.897 5.454 -13.892 1.00 0.00 N ATOM 669 CA ILE A 49 4.495 6.619 -13.114 1.00 0.00 C ATOM 670 C ILE A 49 5.325 6.743 -11.841 1.00 0.00 C ATOM 671 O ILE A 49 5.392 7.811 -11.233 1.00 0.00 O ATOM 672 CB ILE A 49 3.003 6.556 -12.737 1.00 0.00 C ATOM 673 CG1 ILE A 49 2.757 5.430 -11.730 1.00 0.00 C ATOM 674 CG2 ILE A 49 2.150 6.358 -13.980 1.00 0.00 C ATOM 675 CD1 ILE A 49 1.416 5.523 -11.036 1.00 0.00 C ATOM 0 H ILE A 49 4.193 4.717 -13.942 1.00 0.00 H new ATOM 0 HA ILE A 49 4.666 7.493 -13.743 1.00 0.00 H new ATOM 0 HB ILE A 49 2.720 7.501 -12.274 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.825 4.472 -12.245 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.547 5.445 -10.980 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.098 6.316 -13.697 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.308 7.190 -14.666 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.432 5.426 -14.470 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.310 4.693 -10.337 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.352 6.466 -10.493 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.619 5.477 -11.778 1.00 0.00 H new ATOM 687 N ALA A 50 5.959 5.644 -11.445 1.00 0.00 N ATOM 688 CA ALA A 50 6.788 5.631 -10.246 1.00 0.00 C ATOM 689 C ALA A 50 8.209 6.092 -10.557 1.00 0.00 C ATOM 690 O ALA A 50 9.151 5.753 -9.842 1.00 0.00 O ATOM 691 CB ALA A 50 6.805 4.240 -9.631 1.00 0.00 C ATOM 0 H ALA A 50 5.914 4.752 -11.937 1.00 0.00 H new ATOM 0 HA ALA A 50 6.356 6.328 -9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.428 4.245 -8.737 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.789 3.948 -9.364 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.210 3.529 -10.351 1.00 0.00 H new ATOM 697 N ALA A 51 8.354 6.865 -11.628 1.00 0.00 N ATOM 698 CA ALA A 51 9.660 7.373 -12.032 1.00 0.00 C ATOM 699 C ALA A 51 10.400 7.987 -10.848 1.00 0.00 C ATOM 700 O ALA A 51 10.099 9.103 -10.427 1.00 0.00 O ATOM 701 CB ALA A 51 9.506 8.394 -13.149 1.00 0.00 C ATOM 0 H ALA A 51 7.584 7.153 -12.232 1.00 0.00 H new ATOM 0 HA ALA A 51 10.251 6.535 -12.401 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.488 8.765 -13.441 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.026 7.924 -14.007 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.893 9.225 -12.800 1.00 0.00 H new ATOM 707 N ASN A 52 11.370 7.250 -10.316 1.00 0.00 N ATOM 708 CA ASN A 52 12.152 7.723 -9.180 1.00 0.00 C ATOM 709 C ASN A 52 11.243 8.263 -8.080 1.00 0.00 C ATOM 710 O ASN A 52 11.539 9.285 -7.460 1.00 0.00 O ATOM 711 CB ASN A 52 13.133 8.809 -9.626 1.00 0.00 C ATOM 712 CG ASN A 52 12.430 10.084 -10.049 1.00 0.00 C ATOM 713 OD1 ASN A 52 12.006 10.880 -9.210 1.00 0.00 O ATOM 714 ND2 ASN A 52 12.302 10.284 -11.355 1.00 0.00 N ATOM 0 H ASN A 52 11.633 6.324 -10.653 1.00 0.00 H new ATOM 0 HA ASN A 52 12.713 6.878 -8.780 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.821 9.030 -8.810 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.732 8.435 -10.456 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.837 11.124 -11.699 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.669 9.598 -12.014 1.00 0.00 H new ATOM 721 N THR A 53 10.134 7.569 -7.842 1.00 0.00 N ATOM 722 CA THR A 53 9.181 7.978 -6.818 1.00 0.00 C ATOM 723 C THR A 53 8.660 6.776 -6.040 1.00 0.00 C ATOM 724 O THR A 53 8.101 5.845 -6.620 1.00 0.00 O ATOM 725 CB THR A 53 7.988 8.735 -7.431 1.00 0.00 C ATOM 726 OG1 THR A 53 8.460 9.769 -8.303 1.00 0.00 O ATOM 727 CG2 THR A 53 7.115 9.342 -6.343 1.00 0.00 C ATOM 0 H THR A 53 9.874 6.721 -8.345 1.00 0.00 H new ATOM 0 HA THR A 53 9.714 8.644 -6.139 1.00 0.00 H new ATOM 0 HB THR A 53 7.389 8.024 -8.001 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.932 9.367 -9.062 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.279 9.871 -6.800 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.734 8.550 -5.698 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.706 10.040 -5.750 1.00 0.00 H new ATOM 735 N GLN A 54 8.845 6.802 -4.724 1.00 0.00 N ATOM 736 CA GLN A 54 8.392 5.712 -3.868 1.00 0.00 C ATOM 737 C GLN A 54 7.043 6.040 -3.237 1.00 0.00 C ATOM 738 O GLN A 54 6.879 7.083 -2.603 1.00 0.00 O ATOM 739 CB GLN A 54 9.425 5.432 -2.774 1.00 0.00 C ATOM 740 CG GLN A 54 10.801 5.078 -3.313 1.00 0.00 C ATOM 741 CD GLN A 54 11.717 6.282 -3.412 1.00 0.00 C ATOM 742 OE1 GLN A 54 11.384 7.279 -4.053 1.00 0.00 O ATOM 743 NE2 GLN A 54 12.880 6.195 -2.776 1.00 0.00 N ATOM 0 H GLN A 54 9.305 7.565 -4.228 1.00 0.00 H new ATOM 0 HA GLN A 54 8.277 4.822 -4.486 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.510 6.309 -2.133 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.067 4.614 -2.149 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.259 4.330 -2.666 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.695 4.625 -4.299 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.115 5.349 -2.256 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.538 6.974 -2.807 1.00 0.00 H new ATOM 752 N PHE A 55 6.079 5.144 -3.416 1.00 0.00 N ATOM 753 CA PHE A 55 4.742 5.338 -2.866 1.00 0.00 C ATOM 754 C PHE A 55 4.235 4.061 -2.203 1.00 0.00 C ATOM 755 O PHE A 55 4.546 2.955 -2.645 1.00 0.00 O ATOM 756 CB PHE A 55 3.773 5.775 -3.967 1.00 0.00 C ATOM 757 CG PHE A 55 3.664 4.789 -5.095 1.00 0.00 C ATOM 758 CD1 PHE A 55 4.710 4.618 -5.987 1.00 0.00 C ATOM 759 CD2 PHE A 55 2.515 4.032 -5.262 1.00 0.00 C ATOM 760 CE1 PHE A 55 4.612 3.713 -7.026 1.00 0.00 C ATOM 761 CE2 PHE A 55 2.412 3.125 -6.300 1.00 0.00 C ATOM 762 CZ PHE A 55 3.462 2.964 -7.182 1.00 0.00 C ATOM 0 H PHE A 55 6.198 4.276 -3.938 1.00 0.00 H new ATOM 0 HA PHE A 55 4.798 6.121 -2.109 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.785 5.927 -3.531 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.098 6.736 -4.365 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.613 5.199 -5.869 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.691 4.152 -4.574 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.434 3.591 -7.716 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.511 2.543 -6.421 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.384 2.254 -7.992 1.00 0.00 H new ATOM 772 N TRP A 56 3.454 4.222 -1.142 1.00 0.00 N ATOM 773 CA TRP A 56 2.904 3.082 -0.417 1.00 0.00 C ATOM 774 C TRP A 56 2.013 2.239 -1.324 1.00 0.00 C ATOM 775 O TRP A 56 1.480 2.733 -2.317 1.00 0.00 O ATOM 776 CB TRP A 56 2.109 3.559 0.799 1.00 0.00 C ATOM 777 CG TRP A 56 2.966 4.167 1.868 1.00 0.00 C ATOM 778 CD1 TRP A 56 2.847 5.420 2.400 1.00 0.00 C ATOM 779 CD2 TRP A 56 4.074 3.550 2.532 1.00 0.00 C ATOM 780 NE1 TRP A 56 3.815 5.618 3.355 1.00 0.00 N ATOM 781 CE2 TRP A 56 4.579 4.486 3.456 1.00 0.00 C ATOM 782 CE3 TRP A 56 4.687 2.298 2.438 1.00 0.00 C ATOM 783 CZ2 TRP A 56 5.669 4.206 4.277 1.00 0.00 C ATOM 784 CZ3 TRP A 56 5.768 2.022 3.254 1.00 0.00 C ATOM 785 CH2 TRP A 56 6.249 2.973 4.164 1.00 0.00 C ATOM 0 H TRP A 56 3.187 5.131 -0.764 1.00 0.00 H new ATOM 0 HA TRP A 56 3.735 2.464 -0.078 1.00 0.00 H new ATOM 0 HB2 TRP A 56 1.369 4.292 0.476 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.560 2.716 1.219 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.102 6.147 2.112 1.00 0.00 H new ATOM 0 HE1 TRP A 56 3.944 6.470 3.900 1.00 0.00 H new ATOM 0 HE3 TRP A 56 4.323 1.559 1.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.043 4.937 4.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.250 1.058 3.189 1.00 0.00 H new ATOM 0 HH2 TRP A 56 7.095 2.727 4.789 1.00 0.00 H new ATOM 796 N ILE A 57 1.857 0.967 -0.975 1.00 0.00 N ATOM 797 CA ILE A 57 1.029 0.057 -1.757 1.00 0.00 C ATOM 798 C ILE A 57 0.166 -0.817 -0.853 1.00 0.00 C ATOM 799 O ILE A 57 0.203 -0.689 0.370 1.00 0.00 O ATOM 800 CB ILE A 57 1.887 -0.848 -2.661 1.00 0.00 C ATOM 801 CG1 ILE A 57 2.916 -1.612 -1.825 1.00 0.00 C ATOM 802 CG2 ILE A 57 2.578 -0.023 -3.735 1.00 0.00 C ATOM 803 CD1 ILE A 57 3.591 -2.737 -2.578 1.00 0.00 C ATOM 0 H ILE A 57 2.293 0.543 -0.156 1.00 0.00 H new ATOM 0 HA ILE A 57 0.385 0.675 -2.382 1.00 0.00 H new ATOM 0 HB ILE A 57 1.234 -1.571 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.676 -0.914 -1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.424 -2.020 -0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.180 -0.677 -4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.828 0.480 -4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.221 0.721 -3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.307 -3.234 -1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.841 -3.456 -2.908 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.112 -2.333 -3.446 1.00 0.00 H new ATOM 815 N GLY A 58 -0.609 -1.707 -1.464 1.00 0.00 N ATOM 816 CA GLY A 58 -1.469 -2.591 -0.699 1.00 0.00 C ATOM 817 C GLY A 58 -0.688 -3.643 0.063 1.00 0.00 C ATOM 818 O GLY A 58 -1.214 -4.274 0.981 1.00 0.00 O ATOM 0 H GLY A 58 -0.657 -1.832 -2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.059 -2.001 0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.172 -3.082 -1.372 1.00 0.00 H new ATOM 822 N LEU A 59 0.570 -3.835 -0.318 1.00 0.00 N ATOM 823 CA LEU A 59 1.426 -4.820 0.335 1.00 0.00 C ATOM 824 C LEU A 59 1.898 -4.315 1.695 1.00 0.00 C ATOM 825 O LEU A 59 2.531 -3.263 1.792 1.00 0.00 O ATOM 826 CB LEU A 59 2.631 -5.144 -0.549 1.00 0.00 C ATOM 827 CG LEU A 59 3.394 -6.422 -0.201 1.00 0.00 C ATOM 828 CD1 LEU A 59 2.554 -7.649 -0.519 1.00 0.00 C ATOM 829 CD2 LEU A 59 4.719 -6.473 -0.948 1.00 0.00 C ATOM 0 H LEU A 59 1.020 -3.322 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 59 0.842 -5.728 0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.289 -5.218 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.326 -4.306 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 59 3.603 -6.417 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.114 -8.549 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.632 -7.619 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.313 -7.660 -1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.248 -7.390 -0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.532 -6.454 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.327 -5.612 -0.670 1.00 0.00 H new ATOM 841 N PHE A 60 1.590 -5.072 2.742 1.00 0.00 N ATOM 842 CA PHE A 60 1.984 -4.702 4.096 1.00 0.00 C ATOM 843 C PHE A 60 2.115 -5.938 4.981 1.00 0.00 C ATOM 844 O PHE A 60 1.347 -6.891 4.855 1.00 0.00 O ATOM 845 CB PHE A 60 0.965 -3.734 4.700 1.00 0.00 C ATOM 846 CG PHE A 60 -0.359 -4.373 5.010 1.00 0.00 C ATOM 847 CD1 PHE A 60 -0.554 -5.052 6.202 1.00 0.00 C ATOM 848 CD2 PHE A 60 -1.408 -4.295 4.108 1.00 0.00 C ATOM 849 CE1 PHE A 60 -1.770 -5.642 6.488 1.00 0.00 C ATOM 850 CE2 PHE A 60 -2.628 -4.883 4.390 1.00 0.00 C ATOM 851 CZ PHE A 60 -2.809 -5.556 5.582 1.00 0.00 C ATOM 0 H PHE A 60 1.068 -5.946 2.679 1.00 0.00 H new ATOM 0 HA PHE A 60 2.955 -4.210 4.043 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.378 -3.309 5.615 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.807 -2.907 4.008 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.254 -5.121 6.916 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.272 -3.769 3.174 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.908 -6.170 7.420 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.438 -4.816 3.679 1.00 0.00 H new ATOM 0 HZ PHE A 60 -3.761 -6.014 5.805 1.00 0.00 H new ATOM 861 N LYS A 61 3.096 -5.914 5.878 1.00 0.00 N ATOM 862 CA LYS A 61 3.330 -7.031 6.786 1.00 0.00 C ATOM 863 C LYS A 61 2.350 -6.996 7.955 1.00 0.00 C ATOM 864 O LYS A 61 1.998 -5.926 8.449 1.00 0.00 O ATOM 865 CB LYS A 61 4.767 -6.996 7.310 1.00 0.00 C ATOM 866 CG LYS A 61 5.094 -8.132 8.264 1.00 0.00 C ATOM 867 CD LYS A 61 6.595 -8.308 8.428 1.00 0.00 C ATOM 868 CE LYS A 61 7.185 -9.136 7.297 1.00 0.00 C ATOM 869 NZ LYS A 61 8.663 -8.977 7.207 1.00 0.00 N ATOM 0 H LYS A 61 3.742 -5.133 5.995 1.00 0.00 H new ATOM 0 HA LYS A 61 3.174 -7.957 6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.454 -7.033 6.465 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.937 -6.046 7.817 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.642 -7.934 9.236 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.657 -9.058 7.892 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.076 -7.330 8.454 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.804 -8.792 9.382 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.941 -10.187 7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.729 -8.838 6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.028 -9.557 6.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.895 -7.978 7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.100 -9.285 8.099 1.00 0.00 H new ATOM 883 N ASN A 62 1.916 -8.174 8.392 1.00 0.00 N ATOM 884 CA ASN A 62 0.978 -8.277 9.504 1.00 0.00 C ATOM 885 C ASN A 62 1.680 -8.775 10.764 1.00 0.00 C ATOM 886 O ASN A 62 2.847 -9.164 10.724 1.00 0.00 O ATOM 887 CB ASN A 62 -0.173 -9.219 9.142 1.00 0.00 C ATOM 888 CG ASN A 62 -1.428 -8.933 9.943 1.00 0.00 C ATOM 889 OD1 ASN A 62 -1.456 -8.022 10.770 1.00 0.00 O ATOM 890 ND2 ASN A 62 -2.475 -9.713 9.700 1.00 0.00 N ATOM 0 H ASN A 62 2.199 -9.069 7.994 1.00 0.00 H new ATOM 0 HA ASN A 62 0.577 -7.283 9.702 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.395 -9.125 8.079 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.137 -10.250 9.313 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.348 -9.568 10.208 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.407 -10.457 9.005 1.00 0.00 H new ATOM 897 N SER A 63 0.960 -8.762 11.881 1.00 0.00 N ATOM 898 CA SER A 63 1.514 -9.209 13.153 1.00 0.00 C ATOM 899 C SER A 63 2.168 -10.580 13.009 1.00 0.00 C ATOM 900 O SER A 63 3.336 -10.762 13.353 1.00 0.00 O ATOM 901 CB SER A 63 0.418 -9.263 14.220 1.00 0.00 C ATOM 902 OG SER A 63 -0.414 -8.118 14.155 1.00 0.00 O ATOM 0 H SER A 63 -0.009 -8.447 11.931 1.00 0.00 H new ATOM 0 HA SER A 63 2.276 -8.493 13.461 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.183 -10.162 14.083 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.872 -9.331 15.209 1.00 0.00 H new ATOM 0 HG SER A 63 -1.107 -8.177 14.846 1.00 0.00 H new ATOM 908 N ASP A 64 1.406 -11.541 12.499 1.00 0.00 N ATOM 909 CA ASP A 64 1.909 -12.896 12.308 1.00 0.00 C ATOM 910 C ASP A 64 3.292 -12.875 11.663 1.00 0.00 C ATOM 911 O ASP A 64 4.146 -13.705 11.975 1.00 0.00 O ATOM 912 CB ASP A 64 0.942 -13.705 11.443 1.00 0.00 C ATOM 913 CG ASP A 64 1.068 -15.198 11.675 1.00 0.00 C ATOM 914 OD1 ASP A 64 2.009 -15.806 11.124 1.00 0.00 O ATOM 915 OD2 ASP A 64 0.225 -15.758 12.407 1.00 0.00 O ATOM 0 H ASP A 64 0.437 -11.407 12.210 1.00 0.00 H new ATOM 0 HA ASP A 64 1.990 -13.369 13.287 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.080 -13.392 11.656 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.130 -13.486 10.392 1.00 0.00 H new ATOM 920 N GLY A 65 3.505 -11.922 10.761 1.00 0.00 N ATOM 921 CA GLY A 65 4.785 -11.812 10.086 1.00 0.00 C ATOM 922 C GLY A 65 4.675 -12.046 8.593 1.00 0.00 C ATOM 923 O GLY A 65 5.682 -12.069 7.886 1.00 0.00 O ATOM 0 H GLY A 65 2.814 -11.224 10.486 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.203 -10.821 10.266 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.481 -12.534 10.513 1.00 0.00 H new ATOM 927 N GLN A 66 3.449 -12.222 8.112 1.00 0.00 N ATOM 928 CA GLN A 66 3.211 -12.458 6.693 1.00 0.00 C ATOM 929 C GLN A 66 2.765 -11.177 5.995 1.00 0.00 C ATOM 930 O GLN A 66 2.273 -10.248 6.636 1.00 0.00 O ATOM 931 CB GLN A 66 2.157 -13.550 6.505 1.00 0.00 C ATOM 932 CG GLN A 66 2.377 -14.767 7.388 1.00 0.00 C ATOM 933 CD GLN A 66 1.819 -16.038 6.779 1.00 0.00 C ATOM 934 OE1 GLN A 66 1.974 -16.287 5.583 1.00 0.00 O ATOM 935 NE2 GLN A 66 1.165 -16.851 7.600 1.00 0.00 N ATOM 0 H GLN A 66 2.605 -12.206 8.684 1.00 0.00 H new ATOM 0 HA GLN A 66 4.148 -12.787 6.243 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.172 -13.133 6.715 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.154 -13.865 5.461 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.445 -14.893 7.567 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.909 -14.597 8.358 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.060 -16.605 8.584 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.768 -17.721 7.246 1.00 0.00 H new ATOM 944 N PHE A 67 2.940 -11.135 4.679 1.00 0.00 N ATOM 945 CA PHE A 67 2.556 -9.967 3.894 1.00 0.00 C ATOM 946 C PHE A 67 1.155 -10.138 3.314 1.00 0.00 C ATOM 947 O PHE A 67 0.811 -11.201 2.796 1.00 0.00 O ATOM 948 CB PHE A 67 3.562 -9.731 2.765 1.00 0.00 C ATOM 949 CG PHE A 67 4.830 -9.068 3.221 1.00 0.00 C ATOM 950 CD1 PHE A 67 4.829 -7.740 3.618 1.00 0.00 C ATOM 951 CD2 PHE A 67 6.023 -9.772 3.254 1.00 0.00 C ATOM 952 CE1 PHE A 67 5.995 -7.128 4.037 1.00 0.00 C ATOM 953 CE2 PHE A 67 7.192 -9.165 3.673 1.00 0.00 C ATOM 954 CZ PHE A 67 7.177 -7.841 4.066 1.00 0.00 C ATOM 0 H PHE A 67 3.345 -11.896 4.133 1.00 0.00 H new ATOM 0 HA PHE A 67 2.553 -9.101 4.556 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.807 -10.687 2.302 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.095 -9.115 1.996 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.907 -7.178 3.600 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.040 -10.808 2.949 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.982 -6.092 4.342 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.115 -9.725 3.693 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.088 -7.364 4.395 1.00 0.00 H new ATOM 964 N TYR A 68 0.351 -9.084 3.405 1.00 0.00 N ATOM 965 CA TYR A 68 -1.013 -9.118 2.892 1.00 0.00 C ATOM 966 C TYR A 68 -1.271 -7.943 1.953 1.00 0.00 C ATOM 967 O TYR A 68 -0.413 -7.080 1.771 1.00 0.00 O ATOM 968 CB TYR A 68 -2.015 -9.091 4.048 1.00 0.00 C ATOM 969 CG TYR A 68 -1.808 -10.200 5.054 1.00 0.00 C ATOM 970 CD1 TYR A 68 -0.645 -10.270 5.811 1.00 0.00 C ATOM 971 CD2 TYR A 68 -2.776 -11.177 5.249 1.00 0.00 C ATOM 972 CE1 TYR A 68 -0.452 -11.282 6.732 1.00 0.00 C ATOM 973 CE2 TYR A 68 -2.592 -12.192 6.168 1.00 0.00 C ATOM 974 CZ TYR A 68 -1.428 -12.241 6.906 1.00 0.00 C ATOM 975 OH TYR A 68 -1.240 -13.250 7.823 1.00 0.00 O ATOM 0 H TYR A 68 0.620 -8.196 3.829 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.141 -10.043 2.330 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.942 -8.131 4.558 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.025 -9.162 3.644 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.121 -9.521 5.677 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.688 -11.143 4.672 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.458 -11.322 7.312 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.356 -12.943 6.308 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.021 -13.841 7.823 1.00 0.00 H new ATOM 985 N TRP A 69 -2.459 -7.919 1.360 1.00 0.00 N ATOM 986 CA TRP A 69 -2.832 -6.851 0.440 1.00 0.00 C ATOM 987 C TRP A 69 -3.959 -6.002 1.019 1.00 0.00 C ATOM 988 O TRP A 69 -4.873 -6.522 1.660 1.00 0.00 O ATOM 989 CB TRP A 69 -3.258 -7.436 -0.907 1.00 0.00 C ATOM 990 CG TRP A 69 -2.133 -8.086 -1.655 1.00 0.00 C ATOM 991 CD1 TRP A 69 -1.965 -9.422 -1.884 1.00 0.00 C ATOM 992 CD2 TRP A 69 -1.019 -7.428 -2.269 1.00 0.00 C ATOM 993 NE1 TRP A 69 -0.814 -9.634 -2.604 1.00 0.00 N ATOM 994 CE2 TRP A 69 -0.216 -8.427 -2.853 1.00 0.00 C ATOM 995 CE3 TRP A 69 -0.624 -6.093 -2.384 1.00 0.00 C ATOM 996 CZ2 TRP A 69 0.958 -8.131 -3.539 1.00 0.00 C ATOM 997 CZ3 TRP A 69 0.542 -5.800 -3.065 1.00 0.00 C ATOM 998 CH2 TRP A 69 1.322 -6.815 -3.637 1.00 0.00 C ATOM 0 H TRP A 69 -3.180 -8.627 1.500 1.00 0.00 H new ATOM 0 HA TRP A 69 -1.961 -6.213 0.292 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -4.047 -8.169 -0.743 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -3.683 -6.642 -1.522 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -2.638 -10.197 -1.549 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -0.462 -10.543 -2.904 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.219 -5.304 -1.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.561 -8.912 -3.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 0.858 -4.771 -3.158 1.00 0.00 H new ATOM 0 HH2 TRP A 69 2.227 -6.554 -4.165 1.00 0.00 H new ATOM 1009 N ASP A 70 -3.889 -4.696 0.789 1.00 0.00 N ATOM 1010 CA ASP A 70 -4.905 -3.776 1.286 1.00 0.00 C ATOM 1011 C ASP A 70 -6.162 -3.836 0.424 1.00 0.00 C ATOM 1012 O ASP A 70 -6.192 -3.303 -0.685 1.00 0.00 O ATOM 1013 CB ASP A 70 -4.359 -2.347 1.315 1.00 0.00 C ATOM 1014 CG ASP A 70 -5.156 -1.442 2.234 1.00 0.00 C ATOM 1015 OD1 ASP A 70 -6.359 -1.236 1.968 1.00 0.00 O ATOM 1016 OD2 ASP A 70 -4.577 -0.939 3.219 1.00 0.00 O ATOM 0 H ASP A 70 -3.139 -4.250 0.261 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.168 -4.077 2.300 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.319 -2.365 1.640 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.370 -1.936 0.305 1.00 0.00 H new ATOM 1021 N ARG A 71 -7.197 -4.490 0.942 1.00 0.00 N ATOM 1022 CA ARG A 71 -8.456 -4.622 0.219 1.00 0.00 C ATOM 1023 C ARG A 71 -9.533 -3.734 0.835 1.00 0.00 C ATOM 1024 O ARG A 71 -10.702 -4.113 0.900 1.00 0.00 O ATOM 1025 CB ARG A 71 -8.919 -6.080 0.221 1.00 0.00 C ATOM 1026 CG ARG A 71 -8.270 -6.928 -0.861 1.00 0.00 C ATOM 1027 CD ARG A 71 -8.823 -6.594 -2.237 1.00 0.00 C ATOM 1028 NE ARG A 71 -8.725 -7.726 -3.155 1.00 0.00 N ATOM 1029 CZ ARG A 71 -9.448 -7.837 -4.264 1.00 0.00 C ATOM 1030 NH1 ARG A 71 -10.317 -6.891 -4.591 1.00 0.00 N ATOM 1031 NH2 ARG A 71 -9.301 -8.897 -5.049 1.00 0.00 N ATOM 0 H ARG A 71 -7.188 -4.936 1.859 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.291 -4.302 -0.810 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.702 -6.520 1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.001 -6.109 0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.192 -6.768 -0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.437 -7.984 -0.647 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.866 -6.291 -2.145 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.279 -5.744 -2.650 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.066 -8.472 -2.932 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.432 -6.075 -3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.870 -6.979 -5.443 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.633 -9.627 -4.801 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.856 -8.982 -5.900 1.00 0.00 H new ATOM 1045 N GLY A 72 -9.130 -2.551 1.287 1.00 0.00 N ATOM 1046 CA GLY A 72 -10.072 -1.628 1.892 1.00 0.00 C ATOM 1047 C GLY A 72 -9.991 -1.627 3.406 1.00 0.00 C ATOM 1048 O GLY A 72 -9.223 -2.388 3.993 1.00 0.00 O ATOM 0 H GLY A 72 -8.168 -2.215 1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.880 -0.622 1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.084 -1.893 1.585 1.00 0.00 H new ATOM 1052 N GLN A 73 -10.786 -0.770 4.039 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.799 -0.673 5.494 1.00 0.00 C ATOM 1054 C GLN A 73 -11.720 -1.726 6.102 1.00 0.00 C ATOM 1055 O GLN A 73 -12.892 -1.824 5.741 1.00 0.00 O ATOM 1056 CB GLN A 73 -11.246 0.724 5.929 1.00 0.00 C ATOM 1057 CG GLN A 73 -11.067 0.984 7.416 1.00 0.00 C ATOM 1058 CD GLN A 73 -12.289 0.600 8.226 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -13.207 -0.045 7.720 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -12.307 0.996 9.494 1.00 0.00 N ATOM 0 H GLN A 73 -11.429 -0.134 3.568 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.786 -0.852 5.854 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.681 1.468 5.368 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.296 0.858 5.669 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.205 0.424 7.778 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.849 2.040 7.573 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.524 1.529 9.873 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.103 0.767 10.089 1.00 0.00 H new ATOM 1069 N GLY A 74 -11.180 -2.514 7.027 1.00 0.00 N ATOM 1070 CA GLY A 74 -11.967 -3.551 7.669 1.00 0.00 C ATOM 1071 C GLY A 74 -12.058 -4.812 6.833 1.00 0.00 C ATOM 1072 O GLY A 74 -12.096 -5.919 7.371 1.00 0.00 O ATOM 0 H GLY A 74 -10.212 -2.453 7.343 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.526 -3.791 8.636 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.971 -3.174 7.862 1.00 0.00 H new ATOM 1076 N ILE A 75 -12.095 -4.645 5.516 1.00 0.00 N ATOM 1077 CA ILE A 75 -12.183 -5.779 4.604 1.00 0.00 C ATOM 1078 C ILE A 75 -11.036 -6.758 4.833 1.00 0.00 C ATOM 1079 O ILE A 75 -9.897 -6.353 5.058 1.00 0.00 O ATOM 1080 CB ILE A 75 -12.168 -5.322 3.134 1.00 0.00 C ATOM 1081 CG1 ILE A 75 -13.258 -4.276 2.890 1.00 0.00 C ATOM 1082 CG2 ILE A 75 -12.353 -6.514 2.207 1.00 0.00 C ATOM 1083 CD1 ILE A 75 -14.661 -4.829 3.004 1.00 0.00 C ATOM 0 H ILE A 75 -12.065 -3.735 5.056 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.130 -6.278 4.810 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.201 -4.867 2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.137 -3.463 3.606 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -13.124 -3.848 1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -12.340 -6.175 1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.544 -7.227 2.365 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.308 -6.995 2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -15.382 -4.033 2.819 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -14.800 -5.622 2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -14.813 -5.231 4.006 1.00 0.00 H new ATOM 1095 N ASN A 76 -11.347 -8.049 4.772 1.00 0.00 N ATOM 1096 CA ASN A 76 -10.342 -9.087 4.971 1.00 0.00 C ATOM 1097 C ASN A 76 -9.189 -8.924 3.985 1.00 0.00 C ATOM 1098 O ASN A 76 -9.368 -8.972 2.768 1.00 0.00 O ATOM 1099 CB ASN A 76 -10.971 -10.472 4.813 1.00 0.00 C ATOM 1100 CG ASN A 76 -12.211 -10.646 5.668 1.00 0.00 C ATOM 1101 OD1 ASN A 76 -12.359 -9.999 6.705 1.00 0.00 O ATOM 1102 ND2 ASN A 76 -13.110 -11.522 5.236 1.00 0.00 N ATOM 0 H ASN A 76 -12.286 -8.401 4.587 1.00 0.00 H new ATOM 0 HA ASN A 76 -9.948 -8.988 5.983 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.229 -10.633 3.766 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.238 -11.233 5.081 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.965 -11.681 5.769 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.946 -12.036 4.371 1.00 0.00 H new ATOM 1109 N PRO A 77 -7.975 -8.727 4.522 1.00 0.00 N ATOM 1110 CA PRO A 77 -6.769 -8.554 3.708 1.00 0.00 C ATOM 1111 C PRO A 77 -6.356 -9.841 3.002 1.00 0.00 C ATOM 1112 O PRO A 77 -6.392 -10.922 3.591 1.00 0.00 O ATOM 1113 CB PRO A 77 -5.707 -8.140 4.730 1.00 0.00 C ATOM 1114 CG PRO A 77 -6.186 -8.705 6.023 1.00 0.00 C ATOM 1115 CD PRO A 77 -7.688 -8.658 5.964 1.00 0.00 C ATOM 0 HA PRO A 77 -6.918 -7.827 2.909 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.726 -8.535 4.464 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.610 -7.056 4.783 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.832 -9.727 6.157 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.810 -8.125 6.866 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.138 -9.492 6.504 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.079 -7.743 6.408 1.00 0.00 H new ATOM 1123 N ASP A 78 -5.963 -9.718 1.739 1.00 0.00 N ATOM 1124 CA ASP A 78 -5.542 -10.873 0.954 1.00 0.00 C ATOM 1125 C ASP A 78 -4.051 -11.140 1.138 1.00 0.00 C ATOM 1126 O ASP A 78 -3.215 -10.287 0.835 1.00 0.00 O ATOM 1127 CB ASP A 78 -5.854 -10.651 -0.527 1.00 0.00 C ATOM 1128 CG ASP A 78 -6.140 -11.947 -1.259 1.00 0.00 C ATOM 1129 OD1 ASP A 78 -5.173 -12.614 -1.683 1.00 0.00 O ATOM 1130 OD2 ASP A 78 -7.330 -12.295 -1.408 1.00 0.00 O ATOM 0 H ASP A 78 -5.927 -8.831 1.237 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.095 -11.743 1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.714 -9.988 -0.619 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.012 -10.148 -1.001 1.00 0.00 H new ATOM 1135 N LEU A 79 -3.725 -12.327 1.636 1.00 0.00 N ATOM 1136 CA LEU A 79 -2.335 -12.707 1.861 1.00 0.00 C ATOM 1137 C LEU A 79 -1.601 -12.898 0.538 1.00 0.00 C ATOM 1138 O LEU A 79 -2.207 -13.252 -0.475 1.00 0.00 O ATOM 1139 CB LEU A 79 -2.264 -13.993 2.687 1.00 0.00 C ATOM 1140 CG LEU A 79 -0.861 -14.512 3.001 1.00 0.00 C ATOM 1141 CD1 LEU A 79 -0.354 -13.923 4.309 1.00 0.00 C ATOM 1142 CD2 LEU A 79 -0.856 -16.033 3.062 1.00 0.00 C ATOM 0 H LEU A 79 -4.404 -13.043 1.892 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.849 -11.901 2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.787 -13.826 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.808 -14.773 2.155 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.191 -14.198 2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.646 -14.304 4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.319 -12.836 4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.025 -14.206 5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.151 -16.385 3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.540 -16.368 3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.176 -16.437 2.101 1.00 0.00 H new ATOM 1154 N LEU A 80 -0.293 -12.663 0.553 1.00 0.00 N ATOM 1155 CA LEU A 80 0.525 -12.812 -0.646 1.00 0.00 C ATOM 1156 C LEU A 80 0.719 -14.284 -0.994 1.00 0.00 C ATOM 1157 O LEU A 80 1.589 -14.953 -0.438 1.00 0.00 O ATOM 1158 CB LEU A 80 1.884 -12.139 -0.446 1.00 0.00 C ATOM 1159 CG LEU A 80 2.819 -12.144 -1.655 1.00 0.00 C ATOM 1160 CD1 LEU A 80 2.383 -11.099 -2.671 1.00 0.00 C ATOM 1161 CD2 LEU A 80 4.256 -11.898 -1.219 1.00 0.00 C ATOM 0 H LEU A 80 0.223 -12.369 1.382 1.00 0.00 H new ATOM 0 HA LEU A 80 0.005 -12.329 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.714 -11.105 -0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.392 -12.631 0.383 1.00 0.00 H new ATOM 0 HG LEU A 80 2.766 -13.125 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.060 -11.117 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.370 -11.319 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.406 -10.111 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.908 -11.905 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.325 -10.930 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.566 -12.683 -0.529 1.00 0.00 H new ATOM 1173 N ASN A 81 -0.096 -14.781 -1.918 1.00 0.00 N ATOM 1174 CA ASN A 81 -0.013 -16.174 -2.342 1.00 0.00 C ATOM 1175 C ASN A 81 0.341 -16.272 -3.823 1.00 0.00 C ATOM 1176 O ASN A 81 -0.144 -17.154 -4.530 1.00 0.00 O ATOM 1177 CB ASN A 81 -1.339 -16.890 -2.075 1.00 0.00 C ATOM 1178 CG ASN A 81 -1.150 -18.368 -1.794 1.00 0.00 C ATOM 1179 OD1 ASN A 81 -0.479 -19.074 -2.546 1.00 0.00 O ATOM 1180 ND2 ASN A 81 -1.745 -18.843 -0.705 1.00 0.00 N ATOM 0 H ASN A 81 -0.822 -14.240 -2.388 1.00 0.00 H new ATOM 0 HA ASN A 81 0.776 -16.657 -1.765 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.837 -16.422 -1.226 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.995 -16.768 -2.937 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.655 -19.830 -0.464 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.292 -18.221 -0.110 1.00 0.00 H new ATOM 1187 N GLN A 82 1.191 -15.359 -4.284 1.00 0.00 N ATOM 1188 CA GLN A 82 1.610 -15.343 -5.680 1.00 0.00 C ATOM 1189 C GLN A 82 3.012 -15.925 -5.835 1.00 0.00 C ATOM 1190 O GLN A 82 3.905 -15.677 -5.025 1.00 0.00 O ATOM 1191 CB GLN A 82 1.574 -13.916 -6.229 1.00 0.00 C ATOM 1192 CG GLN A 82 2.464 -12.948 -5.466 1.00 0.00 C ATOM 1193 CD GLN A 82 2.148 -11.498 -5.774 1.00 0.00 C ATOM 1194 OE1 GLN A 82 1.073 -10.999 -5.437 1.00 0.00 O ATOM 1195 NE2 GLN A 82 3.084 -10.811 -6.418 1.00 0.00 N ATOM 0 H GLN A 82 1.602 -14.622 -3.711 1.00 0.00 H new ATOM 0 HA GLN A 82 0.915 -15.961 -6.248 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.880 -13.930 -7.275 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.547 -13.551 -6.202 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.349 -13.121 -4.396 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.507 -13.149 -5.712 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.960 -11.263 -6.678 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.927 -9.831 -6.652 1.00 0.00 H new ATOM 1204 N PRO A 83 3.210 -16.718 -6.898 1.00 0.00 N ATOM 1205 CA PRO A 83 4.501 -17.351 -7.184 1.00 0.00 C ATOM 1206 C PRO A 83 5.559 -16.341 -7.616 1.00 0.00 C ATOM 1207 O PRO A 83 6.751 -16.540 -7.382 1.00 0.00 O ATOM 1208 CB PRO A 83 4.178 -18.312 -8.331 1.00 0.00 C ATOM 1209 CG PRO A 83 2.983 -17.721 -8.995 1.00 0.00 C ATOM 1210 CD PRO A 83 2.189 -17.056 -7.904 1.00 0.00 C ATOM 0 HA PRO A 83 4.919 -17.841 -6.304 1.00 0.00 H new ATOM 0 HB2 PRO A 83 5.015 -18.396 -9.024 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.969 -19.315 -7.960 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.277 -17.000 -9.758 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.393 -18.490 -9.493 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.673 -16.167 -8.267 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.429 -17.722 -7.497 1.00 0.00 H new ATOM 1218 N ILE A 84 5.115 -15.259 -8.246 1.00 0.00 N ATOM 1219 CA ILE A 84 6.024 -14.218 -8.709 1.00 0.00 C ATOM 1220 C ILE A 84 6.104 -13.073 -7.706 1.00 0.00 C ATOM 1221 O ILE A 84 5.085 -12.604 -7.198 1.00 0.00 O ATOM 1222 CB ILE A 84 5.590 -13.659 -10.077 1.00 0.00 C ATOM 1223 CG1 ILE A 84 5.691 -14.744 -11.151 1.00 0.00 C ATOM 1224 CG2 ILE A 84 6.442 -12.455 -10.451 1.00 0.00 C ATOM 1225 CD1 ILE A 84 5.064 -14.349 -12.470 1.00 0.00 C ATOM 0 H ILE A 84 4.131 -15.080 -8.448 1.00 0.00 H new ATOM 0 HA ILE A 84 7.007 -14.679 -8.810 1.00 0.00 H new ATOM 0 HB ILE A 84 4.551 -13.337 -10.009 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.741 -14.985 -11.315 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.209 -15.651 -10.786 1.00 0.00 H new ATOM 0 HG21 ILE A 84 6.124 -12.071 -11.420 1.00 0.00 H new ATOM 0 HG22 ILE A 84 6.325 -11.678 -9.696 1.00 0.00 H new ATOM 0 HG23 ILE A 84 7.489 -12.753 -10.505 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.173 -15.166 -13.184 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.005 -14.136 -12.320 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.561 -13.460 -12.858 1.00 0.00 H new ATOM 1237 N THR A 85 7.324 -12.623 -7.425 1.00 0.00 N ATOM 1238 CA THR A 85 7.538 -11.531 -6.484 1.00 0.00 C ATOM 1239 C THR A 85 8.634 -10.591 -6.972 1.00 0.00 C ATOM 1240 O THR A 85 9.463 -10.966 -7.801 1.00 0.00 O ATOM 1241 CB THR A 85 7.915 -12.060 -5.087 1.00 0.00 C ATOM 1242 OG1 THR A 85 9.016 -12.970 -5.189 1.00 0.00 O ATOM 1243 CG2 THR A 85 6.732 -12.759 -4.435 1.00 0.00 C ATOM 0 H THR A 85 8.178 -12.999 -7.836 1.00 0.00 H new ATOM 0 HA THR A 85 6.598 -10.983 -6.416 1.00 0.00 H new ATOM 0 HB THR A 85 8.202 -11.211 -4.467 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.251 -13.301 -4.297 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.023 -13.124 -3.450 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.905 -12.056 -4.332 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.419 -13.599 -5.055 1.00 0.00 H new ATOM 1251 N TYR A 86 8.632 -9.368 -6.453 1.00 0.00 N ATOM 1252 CA TYR A 86 9.626 -8.373 -6.838 1.00 0.00 C ATOM 1253 C TYR A 86 10.493 -7.980 -5.646 1.00 0.00 C ATOM 1254 O TYR A 86 11.234 -6.999 -5.701 1.00 0.00 O ATOM 1255 CB TYR A 86 8.941 -7.134 -7.416 1.00 0.00 C ATOM 1256 CG TYR A 86 7.930 -7.449 -8.495 1.00 0.00 C ATOM 1257 CD1 TYR A 86 8.333 -7.955 -9.725 1.00 0.00 C ATOM 1258 CD2 TYR A 86 6.572 -7.240 -8.286 1.00 0.00 C ATOM 1259 CE1 TYR A 86 7.413 -8.244 -10.715 1.00 0.00 C ATOM 1260 CE2 TYR A 86 5.645 -7.527 -9.269 1.00 0.00 C ATOM 1261 CZ TYR A 86 6.071 -8.029 -10.482 1.00 0.00 C ATOM 1262 OH TYR A 86 5.151 -8.315 -11.464 1.00 0.00 O ATOM 0 H TYR A 86 7.953 -9.042 -5.765 1.00 0.00 H new ATOM 0 HA TYR A 86 10.268 -8.814 -7.601 1.00 0.00 H new ATOM 0 HB2 TYR A 86 8.443 -6.595 -6.610 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.700 -6.467 -7.825 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.383 -8.125 -9.910 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.236 -6.846 -7.338 1.00 0.00 H new ATOM 0 HE1 TYR A 86 7.743 -8.636 -11.666 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.593 -7.360 -9.089 1.00 0.00 H new ATOM 0 HH TYR A 86 4.301 -8.574 -11.051 1.00 0.00 H new ATOM 1272 N TRP A 87 10.394 -8.752 -4.570 1.00 0.00 N ATOM 1273 CA TRP A 87 11.169 -8.486 -3.364 1.00 0.00 C ATOM 1274 C TRP A 87 12.594 -8.069 -3.713 1.00 0.00 C ATOM 1275 O TRP A 87 13.357 -8.851 -4.280 1.00 0.00 O ATOM 1276 CB TRP A 87 11.192 -9.723 -2.464 1.00 0.00 C ATOM 1277 CG TRP A 87 9.856 -10.050 -1.870 1.00 0.00 C ATOM 1278 CD1 TRP A 87 9.097 -11.158 -2.118 1.00 0.00 C ATOM 1279 CD2 TRP A 87 9.120 -9.260 -0.929 1.00 0.00 C ATOM 1280 NE1 TRP A 87 7.934 -11.104 -1.389 1.00 0.00 N ATOM 1281 CE2 TRP A 87 7.924 -9.951 -0.650 1.00 0.00 C ATOM 1282 CE3 TRP A 87 9.356 -8.038 -0.293 1.00 0.00 C ATOM 1283 CZ2 TRP A 87 6.969 -9.458 0.235 1.00 0.00 C ATOM 1284 CZ3 TRP A 87 8.407 -7.550 0.585 1.00 0.00 C ATOM 1285 CH2 TRP A 87 7.226 -8.259 0.843 1.00 0.00 C ATOM 0 H TRP A 87 9.784 -9.567 -4.508 1.00 0.00 H new ATOM 0 HA TRP A 87 10.691 -7.665 -2.829 1.00 0.00 H new ATOM 0 HB2 TRP A 87 11.544 -10.578 -3.042 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.910 -9.565 -1.660 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.371 -11.959 -2.789 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.197 -11.809 -1.397 1.00 0.00 H new ATOM 0 HE3 TRP A 87 10.264 -7.485 -0.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.058 -10.002 0.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 8.578 -6.606 1.081 1.00 0.00 H new ATOM 0 HH2 TRP A 87 6.504 -7.851 1.535 1.00 0.00 H new ATOM 1296 N ALA A 88 12.945 -6.834 -3.371 1.00 0.00 N ATOM 1297 CA ALA A 88 14.279 -6.315 -3.647 1.00 0.00 C ATOM 1298 C ALA A 88 15.355 -7.285 -3.170 1.00 0.00 C ATOM 1299 O ALA A 88 15.052 -8.321 -2.580 1.00 0.00 O ATOM 1300 CB ALA A 88 14.463 -4.955 -2.990 1.00 0.00 C ATOM 0 H ALA A 88 12.324 -6.174 -2.902 1.00 0.00 H new ATOM 0 HA ALA A 88 14.381 -6.202 -4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 88 15.464 -4.580 -3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.722 -4.258 -3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.335 -5.051 -1.912 1.00 0.00 H new ATOM 1306 N ASN A 89 16.612 -6.942 -3.430 1.00 0.00 N ATOM 1307 CA ASN A 89 17.733 -7.784 -3.028 1.00 0.00 C ATOM 1308 C ASN A 89 17.675 -8.090 -1.534 1.00 0.00 C ATOM 1309 O ASN A 89 17.717 -7.185 -0.702 1.00 0.00 O ATOM 1310 CB ASN A 89 19.059 -7.101 -3.369 1.00 0.00 C ATOM 1311 CG ASN A 89 20.163 -8.097 -3.664 1.00 0.00 C ATOM 1312 OD1 ASN A 89 21.096 -8.259 -2.877 1.00 0.00 O ATOM 1313 ND2 ASN A 89 20.063 -8.770 -4.805 1.00 0.00 N ATOM 0 H ASN A 89 16.880 -6.087 -3.917 1.00 0.00 H new ATOM 0 HA ASN A 89 17.664 -8.724 -3.576 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.918 -6.452 -4.233 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.361 -6.464 -2.538 1.00 0.00 H new ATOM 0 HD21 ASN A 89 20.777 -9.453 -5.058 1.00 0.00 H new ATOM 0 HD22 ASN A 89 19.272 -8.604 -5.428 1.00 0.00 H new ATOM 1320 N GLY A 90 17.578 -9.374 -1.202 1.00 0.00 N ATOM 1321 CA GLY A 90 17.516 -9.777 0.191 1.00 0.00 C ATOM 1322 C GLY A 90 16.125 -9.633 0.775 1.00 0.00 C ATOM 1323 O GLY A 90 15.802 -10.256 1.786 1.00 0.00 O ATOM 0 H GLY A 90 17.541 -10.142 -1.872 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.839 -10.814 0.281 1.00 0.00 H new ATOM 0 HA3 GLY A 90 18.215 -9.175 0.772 1.00 0.00 H new ATOM 1327 N GLU A 91 15.299 -8.808 0.137 1.00 0.00 N ATOM 1328 CA GLU A 91 13.936 -8.583 0.602 1.00 0.00 C ATOM 1329 C GLU A 91 13.082 -9.834 0.411 1.00 0.00 C ATOM 1330 O GLU A 91 13.357 -10.679 -0.441 1.00 0.00 O ATOM 1331 CB GLU A 91 13.307 -7.404 -0.143 1.00 0.00 C ATOM 1332 CG GLU A 91 13.817 -6.050 0.321 1.00 0.00 C ATOM 1333 CD GLU A 91 13.884 -5.938 1.831 1.00 0.00 C ATOM 1334 OE1 GLU A 91 12.817 -5.993 2.478 1.00 0.00 O ATOM 1335 OE2 GLU A 91 15.003 -5.794 2.367 1.00 0.00 O ATOM 0 H GLU A 91 15.550 -8.285 -0.702 1.00 0.00 H new ATOM 0 HA GLU A 91 13.976 -8.351 1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.505 -7.512 -1.209 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.225 -7.439 -0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.809 -5.877 -0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.166 -5.268 -0.069 1.00 0.00 H new ATOM 1342 N PRO A 92 12.021 -9.955 1.222 1.00 0.00 N ATOM 1343 CA PRO A 92 11.684 -8.956 2.240 1.00 0.00 C ATOM 1344 C PRO A 92 12.685 -8.940 3.390 1.00 0.00 C ATOM 1345 O PRO A 92 13.393 -9.919 3.623 1.00 0.00 O ATOM 1346 CB PRO A 92 10.307 -9.404 2.735 1.00 0.00 C ATOM 1347 CG PRO A 92 10.264 -10.868 2.461 1.00 0.00 C ATOM 1348 CD PRO A 92 11.068 -11.078 1.208 1.00 0.00 C ATOM 0 HA PRO A 92 11.698 -7.943 1.837 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.181 -9.196 3.798 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.508 -8.879 2.211 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.683 -11.433 3.293 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.238 -11.210 2.328 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.580 -12.040 1.216 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.438 -11.060 0.319 1.00 0.00 H new ATOM 1356 N SER A 93 12.738 -7.821 4.107 1.00 0.00 N ATOM 1357 CA SER A 93 13.655 -7.677 5.231 1.00 0.00 C ATOM 1358 C SER A 93 13.008 -8.160 6.526 1.00 0.00 C ATOM 1359 O SER A 93 11.865 -7.816 6.827 1.00 0.00 O ATOM 1360 CB SER A 93 14.089 -6.217 5.378 1.00 0.00 C ATOM 1361 OG SER A 93 15.366 -6.124 5.987 1.00 0.00 O ATOM 0 H SER A 93 12.157 -7.002 3.929 1.00 0.00 H new ATOM 0 HA SER A 93 14.533 -8.292 5.033 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.114 -5.741 4.398 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.357 -5.675 5.976 1.00 0.00 H new ATOM 0 HG SER A 93 15.264 -6.118 6.962 1.00 0.00 H new ATOM 1367 N ASN A 94 13.747 -8.959 7.287 1.00 0.00 N ATOM 1368 CA ASN A 94 13.246 -9.491 8.550 1.00 0.00 C ATOM 1369 C ASN A 94 13.539 -8.531 9.699 1.00 0.00 C ATOM 1370 O ASN A 94 13.945 -8.950 10.783 1.00 0.00 O ATOM 1371 CB ASN A 94 13.874 -10.856 8.838 1.00 0.00 C ATOM 1372 CG ASN A 94 12.997 -11.721 9.722 1.00 0.00 C ATOM 1373 OD1 ASN A 94 13.083 -11.662 10.948 1.00 0.00 O ATOM 1374 ND2 ASN A 94 12.147 -12.531 9.101 1.00 0.00 N ATOM 0 H ASN A 94 14.695 -9.253 7.052 1.00 0.00 H new ATOM 0 HA ASN A 94 12.166 -9.607 8.463 1.00 0.00 H new ATOM 0 HB2 ASN A 94 14.059 -11.374 7.897 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.842 -10.713 9.319 1.00 0.00 H new ATOM 0 HD21 ASN A 94 11.531 -13.137 9.643 1.00 0.00 H new ATOM 0 HD22 ASN A 94 12.110 -12.547 8.082 1.00 0.00 H new ATOM 1381 N ASP A 95 13.330 -7.242 9.454 1.00 0.00 N ATOM 1382 CA ASP A 95 13.570 -6.222 10.468 1.00 0.00 C ATOM 1383 C ASP A 95 12.283 -5.886 11.216 1.00 0.00 C ATOM 1384 O ASP A 95 11.210 -5.754 10.626 1.00 0.00 O ATOM 1385 CB ASP A 95 14.146 -4.960 9.826 1.00 0.00 C ATOM 1386 CG ASP A 95 15.643 -5.054 9.605 1.00 0.00 C ATOM 1387 OD1 ASP A 95 16.091 -6.041 8.985 1.00 0.00 O ATOM 1388 OD2 ASP A 95 16.367 -4.140 10.052 1.00 0.00 O ATOM 0 H ASP A 95 12.995 -6.879 8.562 1.00 0.00 H new ATOM 0 HA ASP A 95 14.291 -6.618 11.183 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.651 -4.783 8.871 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.929 -4.101 10.461 1.00 0.00 H new ATOM 1393 N PRO A 96 12.391 -5.745 12.545 1.00 0.00 N ATOM 1394 CA PRO A 96 11.246 -5.423 13.402 1.00 0.00 C ATOM 1395 C PRO A 96 10.747 -3.997 13.192 1.00 0.00 C ATOM 1396 O PRO A 96 9.598 -3.678 13.499 1.00 0.00 O ATOM 1397 CB PRO A 96 11.803 -5.592 14.818 1.00 0.00 C ATOM 1398 CG PRO A 96 13.269 -5.368 14.676 1.00 0.00 C ATOM 1399 CD PRO A 96 13.638 -5.888 13.314 1.00 0.00 C ATOM 0 HA PRO A 96 10.387 -6.059 13.189 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.358 -4.875 15.507 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.590 -6.586 15.211 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.513 -4.310 14.769 1.00 0.00 H new ATOM 0 HG3 PRO A 96 13.821 -5.892 15.456 1.00 0.00 H new ATOM 0 HD2 PRO A 96 14.451 -5.313 12.871 1.00 0.00 H new ATOM 0 HD3 PRO A 96 13.967 -6.926 13.356 1.00 0.00 H new ATOM 1407 N THR A 97 11.619 -3.142 12.667 1.00 0.00 N ATOM 1408 CA THR A 97 11.268 -1.749 12.417 1.00 0.00 C ATOM 1409 C THR A 97 10.491 -1.604 11.114 1.00 0.00 C ATOM 1410 O THR A 97 9.482 -0.901 11.057 1.00 0.00 O ATOM 1411 CB THR A 97 12.521 -0.856 12.357 1.00 0.00 C ATOM 1412 OG1 THR A 97 13.367 -1.271 11.279 1.00 0.00 O ATOM 1413 CG2 THR A 97 13.293 -0.917 13.666 1.00 0.00 C ATOM 0 H THR A 97 12.574 -3.390 12.407 1.00 0.00 H new ATOM 0 HA THR A 97 10.641 -1.426 13.248 1.00 0.00 H new ATOM 0 HB THR A 97 12.199 0.172 12.191 1.00 0.00 H new ATOM 0 HG1 THR A 97 14.161 -0.697 11.246 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.174 -0.278 13.599 1.00 0.00 H new ATOM 0 HG22 THR A 97 12.656 -0.573 14.481 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.604 -1.944 13.858 1.00 0.00 H new ATOM 1421 N ARG A 98 10.966 -2.273 10.069 1.00 0.00 N ATOM 1422 CA ARG A 98 10.316 -2.218 8.766 1.00 0.00 C ATOM 1423 C ARG A 98 9.302 -3.348 8.616 1.00 0.00 C ATOM 1424 O ARG A 98 9.660 -4.525 8.655 1.00 0.00 O ATOM 1425 CB ARG A 98 11.357 -2.301 7.648 1.00 0.00 C ATOM 1426 CG ARG A 98 12.595 -1.457 7.905 1.00 0.00 C ATOM 1427 CD ARG A 98 13.774 -1.929 7.069 1.00 0.00 C ATOM 1428 NE ARG A 98 13.761 -1.351 5.728 1.00 0.00 N ATOM 1429 CZ ARG A 98 14.764 -1.473 4.865 1.00 0.00 C ATOM 1430 NH1 ARG A 98 15.854 -2.149 5.202 1.00 0.00 N ATOM 1431 NH2 ARG A 98 14.677 -0.919 3.663 1.00 0.00 N ATOM 0 H ARG A 98 11.800 -2.860 10.100 1.00 0.00 H new ATOM 0 HA ARG A 98 9.788 -1.267 8.692 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.657 -3.341 7.519 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.899 -1.983 6.712 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.379 -0.413 7.676 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.855 -1.504 8.962 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.704 -1.661 7.570 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.754 -3.016 6.995 1.00 0.00 H new ATOM 0 HE ARG A 98 12.937 -0.825 5.438 1.00 0.00 H new ATOM 0 HH11 ARG A 98 15.924 -2.577 6.125 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.623 -2.241 4.538 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.840 -0.399 3.401 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.447 -1.013 3.001 1.00 0.00 H new ATOM 1445 N GLN A 99 8.036 -2.981 8.445 1.00 0.00 N ATOM 1446 CA GLN A 99 6.970 -3.965 8.290 1.00 0.00 C ATOM 1447 C GLN A 99 6.201 -3.735 6.994 1.00 0.00 C ATOM 1448 O GLN A 99 5.808 -4.685 6.316 1.00 0.00 O ATOM 1449 CB GLN A 99 6.014 -3.903 9.482 1.00 0.00 C ATOM 1450 CG GLN A 99 6.720 -3.814 10.825 1.00 0.00 C ATOM 1451 CD GLN A 99 5.900 -4.403 11.957 1.00 0.00 C ATOM 1452 OE1 GLN A 99 6.319 -5.359 12.610 1.00 0.00 O ATOM 1453 NE2 GLN A 99 4.725 -3.834 12.194 1.00 0.00 N ATOM 0 H GLN A 99 7.723 -2.011 8.410 1.00 0.00 H new ATOM 0 HA GLN A 99 7.426 -4.954 8.249 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.359 -3.039 9.367 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.378 -4.788 9.473 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.675 -4.336 10.764 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.941 -2.770 11.047 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.418 -3.043 11.628 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.129 -4.187 12.943 1.00 0.00 H new ATOM 1462 N CYS A 100 5.989 -2.468 6.654 1.00 0.00 N ATOM 1463 CA CYS A 100 5.266 -2.112 5.439 1.00 0.00 C ATOM 1464 C CYS A 100 6.190 -2.149 4.225 1.00 0.00 C ATOM 1465 O CYS A 100 7.413 -2.090 4.360 1.00 0.00 O ATOM 1466 CB CYS A 100 4.645 -0.721 5.579 1.00 0.00 C ATOM 1467 SG CYS A 100 3.427 -0.583 6.927 1.00 0.00 S ATOM 0 H CYS A 100 6.308 -1.670 7.203 1.00 0.00 H new ATOM 0 HA CYS A 100 4.472 -2.844 5.291 1.00 0.00 H new ATOM 0 HB2 CYS A 100 5.440 0.005 5.747 1.00 0.00 H new ATOM 0 HB3 CYS A 100 4.162 -0.454 4.639 1.00 0.00 H new ATOM 1472 N VAL A 101 5.598 -2.246 3.040 1.00 0.00 N ATOM 1473 CA VAL A 101 6.367 -2.289 1.802 1.00 0.00 C ATOM 1474 C VAL A 101 6.064 -1.079 0.925 1.00 0.00 C ATOM 1475 O VAL A 101 4.931 -0.599 0.880 1.00 0.00 O ATOM 1476 CB VAL A 101 6.075 -3.573 1.004 1.00 0.00 C ATOM 1477 CG1 VAL A 101 6.939 -3.633 -0.247 1.00 0.00 C ATOM 1478 CG2 VAL A 101 6.295 -4.802 1.873 1.00 0.00 C ATOM 0 H VAL A 101 4.588 -2.296 2.911 1.00 0.00 H new ATOM 0 HA VAL A 101 7.420 -2.276 2.083 1.00 0.00 H new ATOM 0 HB VAL A 101 5.030 -3.557 0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.719 -4.547 -0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.727 -2.769 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.991 -3.625 0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.084 -5.700 1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.330 -4.825 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.629 -4.762 2.735 1.00 0.00 H new ATOM 1488 N TYR A 102 7.085 -0.590 0.228 1.00 0.00 N ATOM 1489 CA TYR A 102 6.929 0.565 -0.647 1.00 0.00 C ATOM 1490 C TYR A 102 7.534 0.294 -2.021 1.00 0.00 C ATOM 1491 O TYR A 102 8.590 -0.328 -2.135 1.00 0.00 O ATOM 1492 CB TYR A 102 7.587 1.797 -0.022 1.00 0.00 C ATOM 1493 CG TYR A 102 9.095 1.798 -0.130 1.00 0.00 C ATOM 1494 CD1 TYR A 102 9.726 2.161 -1.314 1.00 0.00 C ATOM 1495 CD2 TYR A 102 9.889 1.434 0.950 1.00 0.00 C ATOM 1496 CE1 TYR A 102 11.104 2.163 -1.417 1.00 0.00 C ATOM 1497 CE2 TYR A 102 11.267 1.434 0.856 1.00 0.00 C ATOM 1498 CZ TYR A 102 11.870 1.799 -0.330 1.00 0.00 C ATOM 1499 OH TYR A 102 13.243 1.799 -0.428 1.00 0.00 O ATOM 0 H TYR A 102 8.029 -0.976 0.253 1.00 0.00 H new ATOM 0 HA TYR A 102 5.863 0.753 -0.771 1.00 0.00 H new ATOM 0 HB2 TYR A 102 7.196 2.692 -0.506 1.00 0.00 H new ATOM 0 HB3 TYR A 102 7.306 1.854 1.030 1.00 0.00 H new ATOM 0 HD1 TYR A 102 9.129 2.446 -2.168 1.00 0.00 H new ATOM 0 HD2 TYR A 102 9.421 1.146 1.880 1.00 0.00 H new ATOM 0 HE1 TYR A 102 11.579 2.448 -2.344 1.00 0.00 H new ATOM 0 HE2 TYR A 102 11.869 1.150 1.706 1.00 0.00 H new ATOM 0 HH TYR A 102 13.506 1.539 -1.336 1.00 0.00 H new ATOM 1509 N PHE A 103 6.855 0.765 -3.062 1.00 0.00 N ATOM 1510 CA PHE A 103 7.324 0.573 -4.430 1.00 0.00 C ATOM 1511 C PHE A 103 8.546 1.442 -4.712 1.00 0.00 C ATOM 1512 O PHE A 103 8.432 2.654 -4.893 1.00 0.00 O ATOM 1513 CB PHE A 103 6.209 0.904 -5.424 1.00 0.00 C ATOM 1514 CG PHE A 103 6.542 0.537 -6.842 1.00 0.00 C ATOM 1515 CD1 PHE A 103 7.531 1.218 -7.534 1.00 0.00 C ATOM 1516 CD2 PHE A 103 5.867 -0.489 -7.484 1.00 0.00 C ATOM 1517 CE1 PHE A 103 7.841 0.883 -8.838 1.00 0.00 C ATOM 1518 CE2 PHE A 103 6.172 -0.829 -8.788 1.00 0.00 C ATOM 1519 CZ PHE A 103 7.160 -0.141 -9.467 1.00 0.00 C ATOM 0 H PHE A 103 5.979 1.282 -2.985 1.00 0.00 H new ATOM 0 HA PHE A 103 7.608 -0.473 -4.548 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.300 0.381 -5.126 1.00 0.00 H new ATOM 0 HB3 PHE A 103 5.994 1.971 -5.374 1.00 0.00 H new ATOM 0 HD1 PHE A 103 8.066 2.020 -7.048 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.093 -1.029 -6.959 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.615 1.421 -9.365 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.639 -1.631 -9.276 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.399 -0.403 -10.487 1.00 0.00 H new ATOM 1529 N ASP A 104 9.716 0.812 -4.748 1.00 0.00 N ATOM 1530 CA ASP A 104 10.960 1.526 -5.009 1.00 0.00 C ATOM 1531 C ASP A 104 11.056 1.933 -6.476 1.00 0.00 C ATOM 1532 O ASP A 104 11.590 1.194 -7.303 1.00 0.00 O ATOM 1533 CB ASP A 104 12.161 0.657 -4.629 1.00 0.00 C ATOM 1534 CG ASP A 104 13.397 1.480 -4.324 1.00 0.00 C ATOM 1535 OD1 ASP A 104 13.564 2.553 -4.942 1.00 0.00 O ATOM 1536 OD2 ASP A 104 14.198 1.052 -3.467 1.00 0.00 O ATOM 0 H ASP A 104 9.828 -0.191 -4.600 1.00 0.00 H new ATOM 0 HA ASP A 104 10.966 2.429 -4.399 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.907 0.052 -3.759 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.379 -0.033 -5.444 1.00 0.00 H new ATOM 1541 N GLY A 105 10.534 3.114 -6.793 1.00 0.00 N ATOM 1542 CA GLY A 105 10.570 3.599 -8.160 1.00 0.00 C ATOM 1543 C GLY A 105 11.980 3.883 -8.638 1.00 0.00 C ATOM 1544 O GLY A 105 12.303 3.662 -9.805 1.00 0.00 O ATOM 0 H GLY A 105 10.087 3.744 -6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 105 10.109 2.861 -8.816 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.974 4.509 -8.235 1.00 0.00 H new ATOM 1602 N LYS A 110 13.208 -3.218 -11.988 1.00 0.00 N ATOM 1603 CA LYS A 110 11.768 -3.237 -11.758 1.00 0.00 C ATOM 1604 C LYS A 110 11.355 -4.496 -11.002 1.00 0.00 C ATOM 1605 O LYS A 110 10.239 -4.585 -10.489 1.00 0.00 O ATOM 1606 CB LYS A 110 11.018 -3.160 -13.090 1.00 0.00 C ATOM 1607 CG LYS A 110 11.541 -4.124 -14.140 1.00 0.00 C ATOM 1608 CD LYS A 110 10.443 -4.553 -15.099 1.00 0.00 C ATOM 1609 CE LYS A 110 9.563 -5.634 -14.491 1.00 0.00 C ATOM 1610 NZ LYS A 110 10.129 -6.995 -14.704 1.00 0.00 N ATOM 0 HA LYS A 110 11.510 -2.369 -11.151 1.00 0.00 H new ATOM 0 HB2 LYS A 110 9.962 -3.365 -12.915 1.00 0.00 H new ATOM 0 HB3 LYS A 110 11.085 -2.143 -13.477 1.00 0.00 H new ATOM 0 HG2 LYS A 110 12.349 -3.652 -14.699 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.962 -5.002 -13.651 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.831 -3.690 -15.363 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.889 -4.922 -16.023 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.449 -5.451 -13.422 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.567 -5.582 -14.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 9.500 -7.704 -14.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.214 -7.180 -15.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 11.069 -7.053 -14.262 1.00 0.00 H new ATOM 1624 N SER A 111 12.261 -5.466 -10.936 1.00 0.00 N ATOM 1625 CA SER A 111 11.989 -6.720 -10.245 1.00 0.00 C ATOM 1626 C SER A 111 12.412 -6.637 -8.781 1.00 0.00 C ATOM 1627 O SER A 111 12.039 -7.480 -7.965 1.00 0.00 O ATOM 1628 CB SER A 111 12.719 -7.875 -10.933 1.00 0.00 C ATOM 1629 OG SER A 111 12.672 -7.741 -12.343 1.00 0.00 O ATOM 0 H SER A 111 13.190 -5.407 -11.353 1.00 0.00 H new ATOM 0 HA SER A 111 10.915 -6.902 -10.285 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.757 -7.902 -10.602 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.266 -8.822 -10.639 1.00 0.00 H new ATOM 0 HG SER A 111 13.147 -8.491 -12.759 1.00 0.00 H new ATOM 1635 N LYS A 112 13.194 -5.613 -8.456 1.00 0.00 N ATOM 1636 CA LYS A 112 13.668 -5.416 -7.091 1.00 0.00 C ATOM 1637 C LYS A 112 13.129 -4.112 -6.511 1.00 0.00 C ATOM 1638 O LYS A 112 13.757 -3.498 -5.648 1.00 0.00 O ATOM 1639 CB LYS A 112 15.198 -5.406 -7.058 1.00 0.00 C ATOM 1640 CG LYS A 112 15.820 -6.774 -7.277 1.00 0.00 C ATOM 1641 CD LYS A 112 17.326 -6.681 -7.456 1.00 0.00 C ATOM 1642 CE LYS A 112 17.902 -7.970 -8.022 1.00 0.00 C ATOM 1643 NZ LYS A 112 19.337 -7.822 -8.389 1.00 0.00 N ATOM 0 H LYS A 112 13.513 -4.907 -9.119 1.00 0.00 H new ATOM 0 HA LYS A 112 13.302 -6.243 -6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.565 -4.722 -7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.530 -5.015 -6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 112 15.593 -7.418 -6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 112 15.376 -7.239 -8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 112 17.563 -5.852 -8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 112 17.795 -6.463 -6.496 1.00 0.00 H new ATOM 0 HE2 LYS A 112 17.795 -8.769 -7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 112 17.331 -8.267 -8.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 19.692 -8.722 -8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 19.436 -7.078 -9.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 19.886 -7.563 -7.545 1.00 0.00 H new ATOM 1657 N VAL A 113 11.960 -3.696 -6.988 1.00 0.00 N ATOM 1658 CA VAL A 113 11.335 -2.467 -6.515 1.00 0.00 C ATOM 1659 C VAL A 113 10.746 -2.652 -5.121 1.00 0.00 C ATOM 1660 O VAL A 113 10.739 -1.725 -4.311 1.00 0.00 O ATOM 1661 CB VAL A 113 10.222 -1.998 -7.472 1.00 0.00 C ATOM 1662 CG1 VAL A 113 10.818 -1.498 -8.779 1.00 0.00 C ATOM 1663 CG2 VAL A 113 9.229 -3.123 -7.725 1.00 0.00 C ATOM 0 H VAL A 113 11.427 -4.192 -7.702 1.00 0.00 H new ATOM 0 HA VAL A 113 12.117 -1.708 -6.479 1.00 0.00 H new ATOM 0 HB VAL A 113 9.688 -1.171 -7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 113 10.017 -1.171 -9.442 1.00 0.00 H new ATOM 0 HG12 VAL A 113 11.487 -0.661 -8.577 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.378 -2.303 -9.255 1.00 0.00 H new ATOM 0 HG21 VAL A 113 8.450 -2.775 -8.403 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.747 -3.971 -8.173 1.00 0.00 H new ATOM 0 HG23 VAL A 113 8.778 -3.430 -6.781 1.00 0.00 H new ATOM 1673 N TRP A 114 10.254 -3.855 -4.847 1.00 0.00 N ATOM 1674 CA TRP A 114 9.663 -4.162 -3.550 1.00 0.00 C ATOM 1675 C TRP A 114 10.685 -3.987 -2.431 1.00 0.00 C ATOM 1676 O TRP A 114 11.745 -4.612 -2.442 1.00 0.00 O ATOM 1677 CB TRP A 114 9.117 -5.590 -3.540 1.00 0.00 C ATOM 1678 CG TRP A 114 7.779 -5.720 -4.202 1.00 0.00 C ATOM 1679 CD1 TRP A 114 7.169 -4.798 -5.004 1.00 0.00 C ATOM 1680 CD2 TRP A 114 6.885 -6.835 -4.117 1.00 0.00 C ATOM 1681 NE1 TRP A 114 5.949 -5.273 -5.423 1.00 0.00 N ATOM 1682 CE2 TRP A 114 5.752 -6.521 -4.893 1.00 0.00 C ATOM 1683 CE3 TRP A 114 6.932 -8.069 -3.463 1.00 0.00 C ATOM 1684 CZ2 TRP A 114 4.678 -7.396 -5.030 1.00 0.00 C ATOM 1685 CZ3 TRP A 114 5.865 -8.936 -3.600 1.00 0.00 C ATOM 1686 CH2 TRP A 114 4.751 -8.597 -4.379 1.00 0.00 C ATOM 0 H TRP A 114 10.253 -4.634 -5.506 1.00 0.00 H new ATOM 0 HA TRP A 114 8.842 -3.466 -3.379 1.00 0.00 H new ATOM 0 HB2 TRP A 114 9.828 -6.246 -4.042 1.00 0.00 H new ATOM 0 HB3 TRP A 114 9.039 -5.934 -2.509 1.00 0.00 H new ATOM 0 HD1 TRP A 114 7.584 -3.837 -5.270 1.00 0.00 H new ATOM 0 HE1 TRP A 114 5.296 -4.777 -6.030 1.00 0.00 H new ATOM 0 HE3 TRP A 114 7.787 -8.340 -2.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 3.818 -7.136 -5.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 5.890 -9.892 -3.098 1.00 0.00 H new ATOM 0 HH2 TRP A 114 3.934 -9.298 -4.467 1.00 0.00 H new ATOM 1697 N THR A 115 10.359 -3.132 -1.466 1.00 0.00 N ATOM 1698 CA THR A 115 11.249 -2.875 -0.341 1.00 0.00 C ATOM 1699 C THR A 115 10.459 -2.555 0.923 1.00 0.00 C ATOM 1700 O THR A 115 9.464 -1.831 0.880 1.00 0.00 O ATOM 1701 CB THR A 115 12.210 -1.709 -0.641 1.00 0.00 C ATOM 1702 OG1 THR A 115 12.863 -1.922 -1.897 1.00 0.00 O ATOM 1703 CG2 THR A 115 13.250 -1.569 0.460 1.00 0.00 C ATOM 0 H THR A 115 9.485 -2.606 -1.441 1.00 0.00 H new ATOM 0 HA THR A 115 11.830 -3.784 -0.183 1.00 0.00 H new ATOM 0 HB THR A 115 11.627 -0.789 -0.688 1.00 0.00 H new ATOM 0 HG1 THR A 115 12.223 -1.782 -2.626 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.918 -0.739 0.227 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.751 -1.377 1.410 1.00 0.00 H new ATOM 0 HG23 THR A 115 13.828 -2.490 0.534 1.00 0.00 H new ATOM 1711 N THR A 116 10.908 -3.100 2.049 1.00 0.00 N ATOM 1712 CA THR A 116 10.242 -2.874 3.326 1.00 0.00 C ATOM 1713 C THR A 116 10.738 -1.592 3.985 1.00 0.00 C ATOM 1714 O THR A 116 11.857 -1.145 3.730 1.00 0.00 O ATOM 1715 CB THR A 116 10.464 -4.053 4.292 1.00 0.00 C ATOM 1716 OG1 THR A 116 11.866 -4.278 4.477 1.00 0.00 O ATOM 1717 CG2 THR A 116 9.808 -5.319 3.760 1.00 0.00 C ATOM 0 H THR A 116 11.730 -3.701 2.103 1.00 0.00 H new ATOM 0 HA THR A 116 9.177 -2.783 3.115 1.00 0.00 H new ATOM 0 HB THR A 116 10.008 -3.801 5.249 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.199 -4.867 3.768 1.00 0.00 H new ATOM 0 HG21 THR A 116 9.978 -6.138 4.459 1.00 0.00 H new ATOM 0 HG22 THR A 116 8.736 -5.154 3.648 1.00 0.00 H new ATOM 0 HG23 THR A 116 10.239 -5.573 2.792 1.00 0.00 H new ATOM 1725 N ASP A 117 9.901 -1.006 4.833 1.00 0.00 N ATOM 1726 CA ASP A 117 10.256 0.225 5.531 1.00 0.00 C ATOM 1727 C ASP A 117 9.252 0.530 6.638 1.00 0.00 C ATOM 1728 O ASP A 117 8.153 -0.024 6.666 1.00 0.00 O ATOM 1729 CB ASP A 117 10.319 1.394 4.546 1.00 0.00 C ATOM 1730 CG ASP A 117 11.276 2.479 4.998 1.00 0.00 C ATOM 1731 OD1 ASP A 117 12.503 2.271 4.892 1.00 0.00 O ATOM 1732 OD2 ASP A 117 10.798 3.538 5.456 1.00 0.00 O ATOM 0 H ASP A 117 8.972 -1.363 5.054 1.00 0.00 H new ATOM 0 HA ASP A 117 11.238 0.088 5.984 1.00 0.00 H new ATOM 0 HB2 ASP A 117 10.628 1.025 3.568 1.00 0.00 H new ATOM 0 HB3 ASP A 117 9.322 1.819 4.426 1.00 0.00 H new ATOM 1737 N THR A 118 9.639 1.415 7.553 1.00 0.00 N ATOM 1738 CA THR A 118 8.775 1.792 8.664 1.00 0.00 C ATOM 1739 C THR A 118 7.455 2.369 8.164 1.00 0.00 C ATOM 1740 O THR A 118 7.420 3.091 7.167 1.00 0.00 O ATOM 1741 CB THR A 118 9.458 2.824 9.581 1.00 0.00 C ATOM 1742 OG1 THR A 118 8.610 3.128 10.694 1.00 0.00 O ATOM 1743 CG2 THR A 118 9.777 4.100 8.817 1.00 0.00 C ATOM 0 H THR A 118 10.545 1.883 7.546 1.00 0.00 H new ATOM 0 HA THR A 118 8.579 0.884 9.233 1.00 0.00 H new ATOM 0 HB THR A 118 10.391 2.393 9.943 1.00 0.00 H new ATOM 0 HG1 THR A 118 9.052 3.783 11.273 1.00 0.00 H new ATOM 0 HG21 THR A 118 10.259 4.814 9.485 1.00 0.00 H new ATOM 0 HG22 THR A 118 10.447 3.870 7.988 1.00 0.00 H new ATOM 0 HG23 THR A 118 8.855 4.532 8.429 1.00 0.00 H new ATOM 1751 N CYS A 119 6.372 2.046 8.862 1.00 0.00 N ATOM 1752 CA CYS A 119 5.049 2.532 8.489 1.00 0.00 C ATOM 1753 C CYS A 119 4.788 3.912 9.085 1.00 0.00 C ATOM 1754 O CYS A 119 3.643 4.285 9.337 1.00 0.00 O ATOM 1755 CB CYS A 119 3.972 1.551 8.956 1.00 0.00 C ATOM 1756 SG CYS A 119 4.371 -0.198 8.640 1.00 0.00 S ATOM 0 H CYS A 119 6.384 1.450 9.689 1.00 0.00 H new ATOM 0 HA CYS A 119 5.012 2.612 7.403 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.810 1.688 10.025 1.00 0.00 H new ATOM 0 HB3 CYS A 119 3.034 1.794 8.458 1.00 0.00 H new ATOM 1761 N ALA A 120 5.860 4.667 9.308 1.00 0.00 N ATOM 1762 CA ALA A 120 5.747 6.006 9.872 1.00 0.00 C ATOM 1763 C ALA A 120 6.361 7.047 8.941 1.00 0.00 C ATOM 1764 O ALA A 120 6.190 8.250 9.139 1.00 0.00 O ATOM 1765 CB ALA A 120 6.413 6.060 11.239 1.00 0.00 C ATOM 0 H ALA A 120 6.816 4.373 9.106 1.00 0.00 H new ATOM 0 HA ALA A 120 4.688 6.238 9.986 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.321 7.066 11.649 1.00 0.00 H new ATOM 0 HB2 ALA A 120 5.928 5.350 11.908 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.468 5.803 11.140 1.00 0.00 H new ATOM 1771 N THR A 121 7.077 6.576 7.925 1.00 0.00 N ATOM 1772 CA THR A 121 7.717 7.466 6.965 1.00 0.00 C ATOM 1773 C THR A 121 6.692 8.096 6.029 1.00 0.00 C ATOM 1774 O THR A 121 5.925 7.408 5.355 1.00 0.00 O ATOM 1775 CB THR A 121 8.772 6.721 6.125 1.00 0.00 C ATOM 1776 OG1 THR A 121 9.784 6.177 6.979 1.00 0.00 O ATOM 1777 CG2 THR A 121 9.409 7.653 5.105 1.00 0.00 C ATOM 0 H THR A 121 7.228 5.583 7.746 1.00 0.00 H new ATOM 0 HA THR A 121 8.208 8.250 7.541 1.00 0.00 H new ATOM 0 HB THR A 121 8.274 5.911 5.592 1.00 0.00 H new ATOM 0 HG1 THR A 121 10.368 5.586 6.459 1.00 0.00 H new ATOM 0 HG21 THR A 121 10.150 7.104 4.524 1.00 0.00 H new ATOM 0 HG22 THR A 121 8.640 8.042 4.437 1.00 0.00 H new ATOM 0 HG23 THR A 121 9.894 8.481 5.622 1.00 0.00 H new ATOM 1785 N PRO A 122 6.675 9.436 5.985 1.00 0.00 N ATOM 1786 CA PRO A 122 5.748 10.189 5.134 1.00 0.00 C ATOM 1787 C PRO A 122 6.076 10.045 3.651 1.00 0.00 C ATOM 1788 O PRO A 122 7.048 10.622 3.162 1.00 0.00 O ATOM 1789 CB PRO A 122 5.946 11.637 5.588 1.00 0.00 C ATOM 1790 CG PRO A 122 7.326 11.674 6.147 1.00 0.00 C ATOM 1791 CD PRO A 122 7.560 10.321 6.761 1.00 0.00 C ATOM 0 HA PRO A 122 4.722 9.834 5.234 1.00 0.00 H new ATOM 0 HB2 PRO A 122 5.838 12.331 4.755 1.00 0.00 H new ATOM 0 HB3 PRO A 122 5.208 11.921 6.338 1.00 0.00 H new ATOM 0 HG2 PRO A 122 8.058 11.880 5.366 1.00 0.00 H new ATOM 0 HG3 PRO A 122 7.424 12.463 6.892 1.00 0.00 H new ATOM 0 HD2 PRO A 122 8.604 10.018 6.679 1.00 0.00 H new ATOM 0 HD3 PRO A 122 7.308 10.312 7.821 1.00 0.00 H new ATOM 1799 N ARG A 123 5.259 9.274 2.941 1.00 0.00 N ATOM 1800 CA ARG A 123 5.463 9.055 1.514 1.00 0.00 C ATOM 1801 C ARG A 123 4.132 9.048 0.769 1.00 0.00 C ATOM 1802 O ARG A 123 3.064 8.873 1.358 1.00 0.00 O ATOM 1803 CB ARG A 123 6.199 7.735 1.280 1.00 0.00 C ATOM 1804 CG ARG A 123 7.712 7.876 1.257 1.00 0.00 C ATOM 1805 CD ARG A 123 8.394 6.532 1.054 1.00 0.00 C ATOM 1806 NE ARG A 123 9.731 6.502 1.639 1.00 0.00 N ATOM 1807 CZ ARG A 123 10.650 5.594 1.329 1.00 0.00 C ATOM 1808 NH1 ARG A 123 10.377 4.647 0.443 1.00 0.00 N ATOM 1809 NH2 ARG A 123 11.845 5.634 1.905 1.00 0.00 N ATOM 0 H ARG A 123 4.450 8.791 3.331 1.00 0.00 H new ATOM 0 HA ARG A 123 6.070 9.874 1.129 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.920 7.030 2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 123 5.868 7.307 0.334 1.00 0.00 H new ATOM 0 HG2 ARG A 123 8.003 8.557 0.457 1.00 0.00 H new ATOM 0 HG3 ARG A 123 8.051 8.320 2.193 1.00 0.00 H new ATOM 0 HD2 ARG A 123 7.785 5.746 1.501 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.460 6.317 -0.012 1.00 0.00 H new ATOM 0 HE ARG A 123 9.973 7.218 2.324 1.00 0.00 H new ATOM 0 HH11 ARG A 123 9.460 4.614 -0.002 1.00 0.00 H new ATOM 0 HH12 ARG A 123 11.084 3.951 0.206 1.00 0.00 H new ATOM 0 HH21 ARG A 123 12.059 6.362 2.586 1.00 0.00 H new ATOM 0 HH22 ARG A 123 12.550 4.936 1.666 1.00 0.00 H new ATOM 1823 N PRO A 124 4.194 9.242 -0.556 1.00 0.00 N ATOM 1824 CA PRO A 124 3.002 9.262 -1.410 1.00 0.00 C ATOM 1825 C PRO A 124 2.361 7.885 -1.543 1.00 0.00 C ATOM 1826 O PRO A 124 2.962 6.872 -1.184 1.00 0.00 O ATOM 1827 CB PRO A 124 3.543 9.733 -2.763 1.00 0.00 C ATOM 1828 CG PRO A 124 4.980 9.340 -2.753 1.00 0.00 C ATOM 1829 CD PRO A 124 5.432 9.456 -1.324 1.00 0.00 C ATOM 0 HA PRO A 124 2.219 9.902 -1.002 1.00 0.00 H new ATOM 0 HB2 PRO A 124 3.009 9.262 -3.589 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.428 10.810 -2.882 1.00 0.00 H new ATOM 0 HG2 PRO A 124 5.109 8.322 -3.121 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.567 9.990 -3.402 1.00 0.00 H new ATOM 0 HD2 PRO A 124 6.190 8.711 -1.081 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.868 10.434 -1.119 1.00 0.00 H new ATOM 1837 N PHE A 125 1.138 7.854 -2.062 1.00 0.00 N ATOM 1838 CA PHE A 125 0.416 6.600 -2.242 1.00 0.00 C ATOM 1839 C PHE A 125 -0.504 6.673 -3.457 1.00 0.00 C ATOM 1840 O PHE A 125 -0.534 7.678 -4.168 1.00 0.00 O ATOM 1841 CB PHE A 125 -0.400 6.273 -0.990 1.00 0.00 C ATOM 1842 CG PHE A 125 -1.218 7.429 -0.488 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -0.618 8.474 0.195 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -2.586 7.470 -0.700 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -1.368 9.539 0.659 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -3.342 8.532 -0.239 1.00 0.00 C ATOM 1847 CZ PHE A 125 -2.731 9.568 0.440 1.00 0.00 C ATOM 0 H PHE A 125 0.626 8.683 -2.365 1.00 0.00 H new ATOM 0 HA PHE A 125 1.147 5.809 -2.408 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -1.064 5.436 -1.207 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.277 5.947 -0.200 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.448 8.457 0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -3.068 6.663 -1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -0.888 10.347 1.192 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -4.408 8.551 -0.410 1.00 0.00 H new ATOM 0 HZ PHE A 125 -3.319 10.400 0.799 1.00 0.00 H new ATOM 1857 N ILE A 126 -1.253 5.599 -3.690 1.00 0.00 N ATOM 1858 CA ILE A 126 -2.173 5.541 -4.818 1.00 0.00 C ATOM 1859 C ILE A 126 -3.473 4.843 -4.432 1.00 0.00 C ATOM 1860 O ILE A 126 -3.467 3.686 -4.009 1.00 0.00 O ATOM 1861 CB ILE A 126 -1.547 4.807 -6.019 1.00 0.00 C ATOM 1862 CG1 ILE A 126 -0.387 5.623 -6.594 1.00 0.00 C ATOM 1863 CG2 ILE A 126 -2.598 4.545 -7.087 1.00 0.00 C ATOM 1864 CD1 ILE A 126 0.270 4.976 -7.793 1.00 0.00 C ATOM 0 H ILE A 126 -1.240 4.758 -3.112 1.00 0.00 H new ATOM 0 HA ILE A 126 -2.387 6.571 -5.103 1.00 0.00 H new ATOM 0 HB ILE A 126 -1.158 3.848 -5.677 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -0.753 6.609 -6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 126 0.362 5.773 -5.816 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.140 4.026 -7.929 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -3.394 3.928 -6.670 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -3.014 5.493 -7.428 1.00 0.00 H new ATOM 0 HD11 ILE A 126 1.083 5.609 -8.148 1.00 0.00 H new ATOM 0 HD12 ILE A 126 0.667 4.001 -7.509 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -0.466 4.851 -8.587 1.00 0.00 H new ATOM 1876 N CYS A 127 -4.586 5.552 -4.582 1.00 0.00 N ATOM 1877 CA CYS A 127 -5.895 5.001 -4.250 1.00 0.00 C ATOM 1878 C CYS A 127 -6.527 4.330 -5.467 1.00 0.00 C ATOM 1879 O CYS A 127 -6.420 4.828 -6.587 1.00 0.00 O ATOM 1880 CB CYS A 127 -6.817 6.103 -3.725 1.00 0.00 C ATOM 1881 SG CYS A 127 -6.030 7.221 -2.522 1.00 0.00 S ATOM 0 H CYS A 127 -4.608 6.510 -4.931 1.00 0.00 H new ATOM 0 HA CYS A 127 -5.759 4.249 -3.472 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -7.179 6.691 -4.568 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -7.688 5.642 -3.260 1.00 0.00 H new ATOM 1886 N GLN A 128 -7.185 3.199 -5.236 1.00 0.00 N ATOM 1887 CA GLN A 128 -7.834 2.460 -6.313 1.00 0.00 C ATOM 1888 C GLN A 128 -9.233 2.015 -5.902 1.00 0.00 C ATOM 1889 O GLN A 128 -9.413 1.367 -4.871 1.00 0.00 O ATOM 1890 CB GLN A 128 -6.993 1.243 -6.704 1.00 0.00 C ATOM 1891 CG GLN A 128 -7.597 0.424 -7.833 1.00 0.00 C ATOM 1892 CD GLN A 128 -6.878 -0.894 -8.046 1.00 0.00 C ATOM 1893 OE1 GLN A 128 -5.898 -0.966 -8.789 1.00 0.00 O ATOM 1894 NE2 GLN A 128 -7.362 -1.945 -7.395 1.00 0.00 N ATOM 0 H GLN A 128 -7.283 2.774 -4.314 1.00 0.00 H new ATOM 0 HA GLN A 128 -7.922 3.124 -7.173 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -5.999 1.579 -7.001 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -6.866 0.604 -5.830 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -8.647 0.230 -7.615 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -7.565 1.004 -8.755 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -8.176 -1.839 -6.790 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -6.920 -2.858 -7.500 1.00 0.00 H new