USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 551 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 Single : A 7 THR OG1 : rot 20:sc= 0.749 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.386 X(o=-0.39,f=0) USER MOD Single : A 30 CYS SG : rot 175:sc= -3.57! USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0837 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.6!) USER MOD Single : A 45 HIS : no HD1:sc= -2.97 K(o=-3,f=-5.9!) USER MOD Single : A 51 CYS SG : rot 53:sc= -0.197 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.028 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.388 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 138:sc= 0.824 (180deg=-0.0253) USER MOD Single : A 67 HIS : no HE2:sc= -1.58 K(o=-1.6,f=-3.5) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.678 F(o=-3.5,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 91 N THR A 7 0.302 -17.409 0.515 1.00 0.00 N ATOM 92 CA THR A 7 0.732 -16.691 -0.682 1.00 0.00 C ATOM 93 C THR A 7 1.084 -15.242 -0.340 1.00 0.00 C ATOM 94 O THR A 7 1.329 -14.913 0.821 1.00 0.00 O ATOM 95 CB THR A 7 -0.385 -16.727 -1.736 1.00 0.00 C ATOM 96 OG1 THR A 7 -1.203 -17.871 -1.521 1.00 0.00 O ATOM 97 CG2 THR A 7 0.228 -16.800 -3.137 1.00 0.00 C ATOM 0 HA THR A 7 1.622 -17.177 -1.083 1.00 0.00 H new ATOM 0 HB THR A 7 -0.988 -15.823 -1.651 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.087 -18.188 -0.601 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.568 -16.825 -3.881 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.855 -15.925 -3.306 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.834 -17.702 -3.223 1.00 0.00 H new ATOM 105 N MET A 8 1.113 -14.381 -1.359 1.00 0.00 N ATOM 106 CA MET A 8 1.439 -12.968 -1.158 1.00 0.00 C ATOM 107 C MET A 8 0.606 -12.376 -0.026 1.00 0.00 C ATOM 108 O MET A 8 1.130 -11.666 0.832 1.00 0.00 O ATOM 109 CB MET A 8 1.185 -12.180 -2.447 1.00 0.00 C ATOM 110 CG MET A 8 2.176 -12.627 -3.522 1.00 0.00 C ATOM 111 SD MET A 8 1.683 -11.943 -5.123 1.00 0.00 S ATOM 112 CE MET A 8 2.605 -13.109 -6.153 1.00 0.00 C ATOM 0 H MET A 8 0.916 -14.636 -2.327 1.00 0.00 H new ATOM 0 HA MET A 8 2.493 -12.897 -0.891 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.163 -12.342 -2.790 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.293 -11.112 -2.260 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.181 -12.292 -3.266 1.00 0.00 H new ATOM 0 HG3 MET A 8 2.206 -13.715 -3.574 1.00 0.00 H new ATOM 0 HE1 MET A 8 2.444 -12.871 -7.205 1.00 0.00 H new ATOM 0 HE2 MET A 8 3.668 -13.036 -5.923 1.00 0.00 H new ATOM 0 HE3 MET A 8 2.259 -14.123 -5.953 1.00 0.00 H new ATOM 122 N PHE A 9 -0.692 -12.678 -0.034 1.00 0.00 N ATOM 123 CA PHE A 9 -1.605 -12.183 0.997 1.00 0.00 C ATOM 124 C PHE A 9 -0.952 -12.264 2.375 1.00 0.00 C ATOM 125 O PHE A 9 -1.163 -11.406 3.231 1.00 0.00 O ATOM 126 CB PHE A 9 -2.889 -13.018 0.985 1.00 0.00 C ATOM 127 CG PHE A 9 -3.969 -12.321 1.782 1.00 0.00 C ATOM 128 CD1 PHE A 9 -4.735 -11.310 1.189 1.00 0.00 C ATOM 129 CD2 PHE A 9 -4.209 -12.693 3.111 1.00 0.00 C ATOM 130 CE1 PHE A 9 -5.740 -10.672 1.925 1.00 0.00 C ATOM 131 CE2 PHE A 9 -5.212 -12.053 3.846 1.00 0.00 C ATOM 132 CZ PHE A 9 -5.978 -11.043 3.254 1.00 0.00 C ATOM 0 H PHE A 9 -1.135 -13.263 -0.742 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.842 -11.140 0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.224 -13.170 -0.041 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.695 -14.004 1.406 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.550 -11.023 0.164 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.619 -13.474 3.568 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.332 -9.893 1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.395 -12.339 4.871 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.753 -10.550 3.822 1.00 0.00 H new ATOM 142 N ASP A 10 -0.152 -13.307 2.568 1.00 0.00 N ATOM 143 CA ASP A 10 0.548 -13.516 3.830 1.00 0.00 C ATOM 144 C ASP A 10 1.540 -12.384 4.107 1.00 0.00 C ATOM 145 O ASP A 10 1.430 -11.680 5.108 1.00 0.00 O ATOM 146 CB ASP A 10 1.293 -14.856 3.788 1.00 0.00 C ATOM 147 CG ASP A 10 1.473 -15.404 5.201 1.00 0.00 C ATOM 148 OD1 ASP A 10 2.397 -14.973 5.870 1.00 0.00 O ATOM 149 OD2 ASP A 10 0.685 -16.250 5.591 1.00 0.00 O ATOM 0 H ASP A 10 0.028 -14.023 1.864 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.189 -13.527 4.633 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.737 -15.571 3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.266 -14.725 3.314 1.00 0.00 H new ATOM 154 N GLN A 11 2.523 -12.242 3.219 1.00 0.00 N ATOM 155 CA GLN A 11 3.565 -11.223 3.368 1.00 0.00 C ATOM 156 C GLN A 11 3.001 -9.815 3.432 1.00 0.00 C ATOM 157 O GLN A 11 3.298 -9.068 4.361 1.00 0.00 O ATOM 158 CB GLN A 11 4.545 -11.308 2.193 1.00 0.00 C ATOM 159 CG GLN A 11 5.984 -11.244 2.712 1.00 0.00 C ATOM 160 CD GLN A 11 6.970 -11.220 1.546 1.00 0.00 C ATOM 161 OE1 GLN A 11 7.988 -11.912 1.579 1.00 0.00 O ATOM 162 NE2 GLN A 11 6.731 -10.461 0.509 1.00 0.00 N ATOM 0 H GLN A 11 2.621 -12.821 2.385 1.00 0.00 H new ATOM 0 HA GLN A 11 4.071 -11.425 4.312 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.388 -12.236 1.643 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.363 -10.490 1.496 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.116 -10.354 3.327 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.186 -12.105 3.350 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.888 -9.887 0.480 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.387 -10.442 -0.272 1.00 0.00 H new ATOM 171 N VAL A 12 2.212 -9.446 2.438 1.00 0.00 N ATOM 172 CA VAL A 12 1.647 -8.110 2.397 1.00 0.00 C ATOM 173 C VAL A 12 0.948 -7.787 3.698 1.00 0.00 C ATOM 174 O VAL A 12 1.316 -6.840 4.390 1.00 0.00 O ATOM 175 CB VAL A 12 0.671 -7.998 1.231 1.00 0.00 C ATOM 176 CG1 VAL A 12 1.390 -8.419 -0.030 1.00 0.00 C ATOM 177 CG2 VAL A 12 -0.529 -8.924 1.435 1.00 0.00 C ATOM 0 H VAL A 12 1.950 -10.046 1.656 1.00 0.00 H new ATOM 0 HA VAL A 12 2.455 -7.392 2.256 1.00 0.00 H new ATOM 0 HB VAL A 12 0.315 -6.970 1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.709 -8.347 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.247 -7.766 -0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.733 -9.449 0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.211 -8.827 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.185 -9.956 1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.048 -8.650 2.354 1.00 0.00 H new ATOM 187 N ALA A 13 -0.058 -8.576 4.031 1.00 0.00 N ATOM 188 CA ALA A 13 -0.790 -8.357 5.252 1.00 0.00 C ATOM 189 C ALA A 13 0.172 -8.245 6.431 1.00 0.00 C ATOM 190 O ALA A 13 0.007 -7.395 7.307 1.00 0.00 O ATOM 191 CB ALA A 13 -1.778 -9.497 5.492 1.00 0.00 C ATOM 0 H ALA A 13 -0.380 -9.367 3.473 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.346 -7.424 5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.323 -9.317 6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.482 -9.550 4.661 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.235 -10.439 5.568 1.00 0.00 H new ATOM 197 N GLU A 14 1.183 -9.114 6.436 1.00 0.00 N ATOM 198 CA GLU A 14 2.178 -9.114 7.505 1.00 0.00 C ATOM 199 C GLU A 14 2.988 -7.819 7.492 1.00 0.00 C ATOM 200 O GLU A 14 3.065 -7.113 8.498 1.00 0.00 O ATOM 201 CB GLU A 14 3.117 -10.317 7.355 1.00 0.00 C ATOM 202 CG GLU A 14 2.375 -11.605 7.741 1.00 0.00 C ATOM 203 CD GLU A 14 2.355 -11.787 9.261 1.00 0.00 C ATOM 204 OE1 GLU A 14 3.349 -11.474 9.897 1.00 0.00 O ATOM 205 OE2 GLU A 14 1.342 -12.246 9.766 1.00 0.00 O ATOM 0 H GLU A 14 1.333 -9.822 5.717 1.00 0.00 H new ATOM 0 HA GLU A 14 1.654 -9.186 8.458 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.474 -10.386 6.327 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.994 -10.187 7.989 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.354 -11.569 7.361 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.859 -12.463 7.274 1.00 0.00 H new ATOM 212 N VAL A 15 3.596 -7.522 6.344 1.00 0.00 N ATOM 213 CA VAL A 15 4.409 -6.315 6.196 1.00 0.00 C ATOM 214 C VAL A 15 3.579 -5.058 6.462 1.00 0.00 C ATOM 215 O VAL A 15 3.971 -4.206 7.259 1.00 0.00 O ATOM 216 CB VAL A 15 4.998 -6.253 4.780 1.00 0.00 C ATOM 217 CG1 VAL A 15 5.701 -4.908 4.568 1.00 0.00 C ATOM 218 CG2 VAL A 15 6.011 -7.387 4.591 1.00 0.00 C ATOM 0 H VAL A 15 3.541 -8.099 5.505 1.00 0.00 H new ATOM 0 HA VAL A 15 5.216 -6.357 6.927 1.00 0.00 H new ATOM 0 HB VAL A 15 4.191 -6.360 4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.117 -4.870 3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.983 -4.098 4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.504 -4.798 5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.427 -7.339 3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.814 -7.283 5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.514 -8.347 4.733 1.00 0.00 H new ATOM 228 N ILE A 16 2.436 -4.948 5.787 1.00 0.00 N ATOM 229 CA ILE A 16 1.559 -3.788 5.953 1.00 0.00 C ATOM 230 C ILE A 16 1.242 -3.558 7.427 1.00 0.00 C ATOM 231 O ILE A 16 1.370 -2.443 7.925 1.00 0.00 O ATOM 232 CB ILE A 16 0.254 -3.996 5.176 1.00 0.00 C ATOM 233 CG1 ILE A 16 0.562 -4.094 3.679 1.00 0.00 C ATOM 234 CG2 ILE A 16 -0.694 -2.815 5.422 1.00 0.00 C ATOM 235 CD1 ILE A 16 -0.567 -4.850 2.975 1.00 0.00 C ATOM 0 H ILE A 16 2.096 -5.644 5.123 1.00 0.00 H new ATOM 0 HA ILE A 16 2.077 -2.912 5.563 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.221 -4.916 5.515 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.668 -3.097 3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.510 -4.609 3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.619 -2.969 4.867 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.917 -2.743 6.486 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.220 -1.892 5.088 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.349 -4.920 1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.651 -5.852 3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.507 -4.317 3.118 1.00 0.00 H new ATOM 247 N GLU A 17 0.830 -4.619 8.116 1.00 0.00 N ATOM 248 CA GLU A 17 0.503 -4.513 9.535 1.00 0.00 C ATOM 249 C GLU A 17 1.639 -3.826 10.287 1.00 0.00 C ATOM 250 O GLU A 17 1.410 -2.916 11.086 1.00 0.00 O ATOM 251 CB GLU A 17 0.260 -5.908 10.122 1.00 0.00 C ATOM 252 CG GLU A 17 0.112 -5.810 11.646 1.00 0.00 C ATOM 253 CD GLU A 17 -0.399 -7.131 12.220 1.00 0.00 C ATOM 254 OE1 GLU A 17 -0.004 -8.171 11.717 1.00 0.00 O ATOM 255 OE2 GLU A 17 -1.178 -7.083 13.158 1.00 0.00 O ATOM 0 H GLU A 17 0.716 -5.552 7.720 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.403 -3.917 9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.639 -6.344 9.687 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.089 -6.569 9.869 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.073 -5.559 12.095 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.578 -5.005 11.899 1.00 0.00 H new ATOM 262 N ARG A 18 2.864 -4.270 10.027 1.00 0.00 N ATOM 263 CA ARG A 18 4.038 -3.698 10.681 1.00 0.00 C ATOM 264 C ARG A 18 4.310 -2.271 10.192 1.00 0.00 C ATOM 265 O ARG A 18 4.647 -1.392 10.984 1.00 0.00 O ATOM 266 CB ARG A 18 5.260 -4.581 10.411 1.00 0.00 C ATOM 267 CG ARG A 18 5.241 -5.785 11.361 1.00 0.00 C ATOM 268 CD ARG A 18 6.504 -6.624 11.159 1.00 0.00 C ATOM 269 NE ARG A 18 6.546 -7.714 12.129 1.00 0.00 N ATOM 270 CZ ARG A 18 5.939 -8.874 11.890 1.00 0.00 C ATOM 271 NH1 ARG A 18 4.697 -9.051 12.257 1.00 0.00 N ATOM 272 NH2 ARG A 18 6.586 -9.837 11.290 1.00 0.00 N ATOM 0 H ARG A 18 3.071 -5.022 9.370 1.00 0.00 H new ATOM 0 HA ARG A 18 3.843 -3.656 11.753 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.254 -4.921 9.375 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.175 -4.007 10.553 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.182 -5.444 12.394 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.356 -6.393 11.175 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.523 -7.028 10.147 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.388 -5.996 11.269 1.00 0.00 H new ATOM 0 HE ARG A 18 7.050 -7.584 13.006 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.192 -8.300 12.727 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.233 -9.940 12.073 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.556 -9.700 11.005 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.122 -10.726 11.106 1.00 0.00 H new ATOM 286 N LEU A 19 4.181 -2.054 8.883 1.00 0.00 N ATOM 287 CA LEU A 19 4.433 -0.734 8.297 1.00 0.00 C ATOM 288 C LEU A 19 3.295 0.249 8.588 1.00 0.00 C ATOM 289 O LEU A 19 3.493 1.462 8.547 1.00 0.00 O ATOM 290 CB LEU A 19 4.618 -0.871 6.781 1.00 0.00 C ATOM 291 CG LEU A 19 5.461 0.298 6.255 1.00 0.00 C ATOM 292 CD1 LEU A 19 6.949 -0.050 6.356 1.00 0.00 C ATOM 293 CD2 LEU A 19 5.106 0.565 4.790 1.00 0.00 C ATOM 0 H LEU A 19 3.905 -2.769 8.210 1.00 0.00 H new ATOM 0 HA LEU A 19 5.340 -0.337 8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.106 -1.817 6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.647 -0.883 6.286 1.00 0.00 H new ATOM 0 HG LEU A 19 5.254 1.186 6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.544 0.783 5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.208 -0.241 7.397 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.156 -0.940 5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.705 1.396 4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.312 -0.326 4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.048 0.816 4.712 1.00 0.00 H new ATOM 305 N ARG A 20 2.106 -0.282 8.870 1.00 0.00 N ATOM 306 CA ARG A 20 0.938 0.554 9.156 1.00 0.00 C ATOM 307 C ARG A 20 1.293 1.722 10.079 1.00 0.00 C ATOM 308 O ARG A 20 1.177 2.884 9.688 1.00 0.00 O ATOM 309 CB ARG A 20 -0.166 -0.294 9.798 1.00 0.00 C ATOM 310 CG ARG A 20 -1.267 -0.569 8.772 1.00 0.00 C ATOM 311 CD ARG A 20 -2.455 -1.238 9.463 1.00 0.00 C ATOM 312 NE ARG A 20 -3.635 -1.179 8.609 1.00 0.00 N ATOM 313 CZ ARG A 20 -4.649 -2.016 8.787 1.00 0.00 C ATOM 314 NH1 ARG A 20 -4.633 -3.191 8.219 1.00 0.00 N ATOM 315 NH2 ARG A 20 -5.661 -1.663 9.528 1.00 0.00 N ATOM 0 H ARG A 20 1.925 -1.285 8.907 1.00 0.00 H new ATOM 0 HA ARG A 20 0.584 0.966 8.211 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.249 -1.234 10.161 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.582 0.226 10.661 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.583 0.363 8.304 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.886 -1.211 7.978 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.214 -2.276 9.691 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.659 -0.742 10.412 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.682 -0.484 7.864 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.841 -3.466 7.638 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.413 -3.834 8.356 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.673 -0.744 9.970 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.441 -2.306 9.666 1.00 0.00 H new ATOM 329 N PRO A 21 1.714 1.436 11.291 1.00 0.00 N ATOM 330 CA PRO A 21 2.087 2.481 12.289 1.00 0.00 C ATOM 331 C PRO A 21 2.953 3.589 11.682 1.00 0.00 C ATOM 332 O PRO A 21 2.921 4.731 12.141 1.00 0.00 O ATOM 333 CB PRO A 21 2.857 1.717 13.380 1.00 0.00 C ATOM 334 CG PRO A 21 2.907 0.279 12.956 1.00 0.00 C ATOM 335 CD PRO A 21 1.876 0.089 11.847 1.00 0.00 C ATOM 0 HA PRO A 21 1.205 2.993 12.674 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.863 2.120 13.496 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.360 1.818 14.345 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.904 0.019 12.601 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.688 -0.377 13.799 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.224 -0.617 11.093 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.935 -0.300 12.237 1.00 0.00 H new ATOM 343 N PHE A 22 3.719 3.246 10.645 1.00 0.00 N ATOM 344 CA PHE A 22 4.582 4.224 9.982 1.00 0.00 C ATOM 345 C PHE A 22 3.757 5.123 9.064 1.00 0.00 C ATOM 346 O PHE A 22 3.843 6.351 9.137 1.00 0.00 O ATOM 347 CB PHE A 22 5.665 3.511 9.162 1.00 0.00 C ATOM 348 CG PHE A 22 6.599 4.537 8.557 1.00 0.00 C ATOM 349 CD1 PHE A 22 7.531 5.200 9.367 1.00 0.00 C ATOM 350 CD2 PHE A 22 6.533 4.829 7.187 1.00 0.00 C ATOM 351 CE1 PHE A 22 8.392 6.153 8.809 1.00 0.00 C ATOM 352 CE2 PHE A 22 7.396 5.781 6.630 1.00 0.00 C ATOM 353 CZ PHE A 22 8.325 6.443 7.441 1.00 0.00 C ATOM 0 H PHE A 22 3.760 2.307 10.249 1.00 0.00 H new ATOM 0 HA PHE A 22 5.058 4.835 10.748 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.224 2.825 9.798 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.205 2.913 8.375 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.585 4.976 10.422 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.816 4.319 6.561 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.108 6.665 9.435 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.345 6.004 5.575 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.990 7.178 7.011 1.00 0.00 H new ATOM 363 N LEU A 23 2.957 4.499 8.199 1.00 0.00 N ATOM 364 CA LEU A 23 2.118 5.247 7.265 1.00 0.00 C ATOM 365 C LEU A 23 1.188 6.195 8.014 1.00 0.00 C ATOM 366 O LEU A 23 0.989 7.332 7.602 1.00 0.00 O ATOM 367 CB LEU A 23 1.275 4.285 6.422 1.00 0.00 C ATOM 368 CG LEU A 23 2.187 3.347 5.623 1.00 0.00 C ATOM 369 CD1 LEU A 23 1.446 2.037 5.340 1.00 0.00 C ATOM 370 CD2 LEU A 23 2.570 4.012 4.297 1.00 0.00 C ATOM 0 H LEU A 23 2.873 3.485 8.126 1.00 0.00 H new ATOM 0 HA LEU A 23 2.774 5.827 6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.618 3.703 7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.636 4.849 5.743 1.00 0.00 H new ATOM 0 HG LEU A 23 3.089 3.140 6.199 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.093 1.369 4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.172 1.563 6.283 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.545 2.246 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.218 3.345 3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.669 4.219 3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.096 4.946 4.497 1.00 0.00 H new ATOM 382 N LEU A 24 0.616 5.713 9.114 1.00 0.00 N ATOM 383 CA LEU A 24 -0.299 6.525 9.911 1.00 0.00 C ATOM 384 C LEU A 24 0.363 7.843 10.311 1.00 0.00 C ATOM 385 O LEU A 24 -0.180 8.923 10.072 1.00 0.00 O ATOM 386 CB LEU A 24 -0.709 5.747 11.169 1.00 0.00 C ATOM 387 CG LEU A 24 -2.144 6.106 11.578 1.00 0.00 C ATOM 388 CD1 LEU A 24 -2.520 5.336 12.848 1.00 0.00 C ATOM 389 CD2 LEU A 24 -2.243 7.610 11.853 1.00 0.00 C ATOM 0 H LEU A 24 0.768 4.770 9.472 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.183 6.749 9.314 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.635 4.676 10.982 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.024 5.976 11.985 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.825 5.839 10.770 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.539 5.590 13.139 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.454 4.265 12.657 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.835 5.604 13.652 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.263 7.860 12.143 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.560 7.878 12.659 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.976 8.163 10.952 1.00 0.00 H new ATOM 401 N ARG A 25 1.533 7.737 10.930 1.00 0.00 N ATOM 402 CA ARG A 25 2.274 8.912 11.384 1.00 0.00 C ATOM 403 C ARG A 25 2.559 9.898 10.245 1.00 0.00 C ATOM 404 O ARG A 25 2.594 11.109 10.470 1.00 0.00 O ATOM 405 CB ARG A 25 3.599 8.471 12.014 1.00 0.00 C ATOM 406 CG ARG A 25 3.348 7.941 13.431 1.00 0.00 C ATOM 407 CD ARG A 25 4.639 7.336 13.987 1.00 0.00 C ATOM 408 NE ARG A 25 4.594 7.295 15.447 1.00 0.00 N ATOM 409 CZ ARG A 25 5.678 7.540 16.179 1.00 0.00 C ATOM 410 NH1 ARG A 25 6.855 7.163 15.757 1.00 0.00 N ATOM 411 NH2 ARG A 25 5.565 8.155 17.324 1.00 0.00 N ATOM 0 H ARG A 25 1.991 6.848 11.130 1.00 0.00 H new ATOM 0 HA ARG A 25 1.653 9.425 12.118 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.063 7.697 11.403 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.294 9.310 12.047 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.005 8.749 14.077 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.559 7.189 13.415 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.776 6.329 13.592 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.495 7.926 13.659 1.00 0.00 H new ATOM 0 HE ARG A 25 3.715 7.074 15.914 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.946 6.679 14.864 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.684 7.353 16.321 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.646 8.448 17.657 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.395 8.343 17.886 1.00 0.00 H new ATOM 425 N ASP A 26 2.795 9.386 9.032 1.00 0.00 N ATOM 426 CA ASP A 26 3.111 10.266 7.900 1.00 0.00 C ATOM 427 C ASP A 26 1.908 10.493 6.975 1.00 0.00 C ATOM 428 O ASP A 26 1.493 11.631 6.761 1.00 0.00 O ATOM 429 CB ASP A 26 4.263 9.658 7.093 1.00 0.00 C ATOM 430 CG ASP A 26 4.991 10.739 6.290 1.00 0.00 C ATOM 431 OD1 ASP A 26 4.341 11.682 5.865 1.00 0.00 O ATOM 432 OD2 ASP A 26 6.189 10.601 6.106 1.00 0.00 O ATOM 0 H ASP A 26 2.774 8.391 8.811 1.00 0.00 H new ATOM 0 HA ASP A 26 3.394 11.236 8.310 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.964 9.164 7.766 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.877 8.894 6.418 1.00 0.00 H new ATOM 437 N GLY A 27 1.369 9.410 6.419 1.00 0.00 N ATOM 438 CA GLY A 27 0.231 9.507 5.504 1.00 0.00 C ATOM 439 C GLY A 27 -1.083 9.157 6.196 1.00 0.00 C ATOM 440 O GLY A 27 -1.882 10.039 6.512 1.00 0.00 O ATOM 0 H GLY A 27 1.699 8.459 6.584 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.172 10.519 5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.386 8.837 4.658 1.00 0.00 H new ATOM 444 N GLY A 28 -1.303 7.864 6.421 1.00 0.00 N ATOM 445 CA GLY A 28 -2.528 7.406 7.070 1.00 0.00 C ATOM 446 C GLY A 28 -2.518 5.893 7.253 1.00 0.00 C ATOM 447 O GLY A 28 -1.464 5.289 7.449 1.00 0.00 O ATOM 0 H GLY A 28 -0.654 7.120 6.166 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.633 7.892 8.040 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.391 7.698 6.472 1.00 0.00 H new ATOM 451 N ASP A 29 -3.701 5.289 7.184 1.00 0.00 N ATOM 452 CA ASP A 29 -3.823 3.844 7.345 1.00 0.00 C ATOM 453 C ASP A 29 -4.118 3.184 6.005 1.00 0.00 C ATOM 454 O ASP A 29 -4.982 3.636 5.255 1.00 0.00 O ATOM 455 CB ASP A 29 -4.945 3.519 8.340 1.00 0.00 C ATOM 456 CG ASP A 29 -5.181 2.009 8.402 1.00 0.00 C ATOM 457 OD1 ASP A 29 -5.800 1.485 7.489 1.00 0.00 O ATOM 458 OD2 ASP A 29 -4.741 1.399 9.362 1.00 0.00 O ATOM 0 H ASP A 29 -4.583 5.774 7.019 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.879 3.457 7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.682 3.893 9.329 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.863 4.025 8.041 1.00 0.00 H new ATOM 463 N CYS A 30 -3.397 2.106 5.718 1.00 0.00 N ATOM 464 CA CYS A 30 -3.581 1.375 4.471 1.00 0.00 C ATOM 465 C CYS A 30 -4.484 0.166 4.700 1.00 0.00 C ATOM 466 O CYS A 30 -4.520 -0.389 5.799 1.00 0.00 O ATOM 467 CB CYS A 30 -2.219 0.918 3.942 1.00 0.00 C ATOM 468 SG CYS A 30 -1.351 2.333 3.219 1.00 0.00 S ATOM 0 H CYS A 30 -2.680 1.719 6.332 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.052 2.029 3.738 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.628 0.489 4.751 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.350 0.137 3.194 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.153 1.973 2.867 1.00 0.00 H new ATOM 474 N THR A 31 -5.215 -0.234 3.661 1.00 0.00 N ATOM 475 CA THR A 31 -6.116 -1.379 3.772 1.00 0.00 C ATOM 476 C THR A 31 -6.227 -2.105 2.433 1.00 0.00 C ATOM 477 O THR A 31 -6.783 -1.572 1.469 1.00 0.00 O ATOM 478 CB THR A 31 -7.504 -0.912 4.229 1.00 0.00 C ATOM 479 OG1 THR A 31 -7.379 -0.169 5.434 1.00 0.00 O ATOM 480 CG2 THR A 31 -8.406 -2.127 4.468 1.00 0.00 C ATOM 0 H THR A 31 -5.202 0.212 2.744 1.00 0.00 H new ATOM 0 HA THR A 31 -5.709 -2.070 4.510 1.00 0.00 H new ATOM 0 HB THR A 31 -7.946 -0.283 3.456 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.265 0.131 5.726 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.391 -1.791 4.792 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.503 -2.696 3.543 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.967 -2.760 5.239 1.00 0.00 H new ATOM 488 N LEU A 32 -5.694 -3.326 2.386 1.00 0.00 N ATOM 489 CA LEU A 32 -5.734 -4.132 1.168 1.00 0.00 C ATOM 490 C LEU A 32 -7.163 -4.581 0.885 1.00 0.00 C ATOM 491 O LEU A 32 -7.844 -5.105 1.768 1.00 0.00 O ATOM 492 CB LEU A 32 -4.833 -5.361 1.331 1.00 0.00 C ATOM 493 CG LEU A 32 -3.944 -5.536 0.093 1.00 0.00 C ATOM 494 CD1 LEU A 32 -2.915 -6.638 0.362 1.00 0.00 C ATOM 495 CD2 LEU A 32 -4.805 -5.929 -1.115 1.00 0.00 C ATOM 0 H LEU A 32 -5.231 -3.777 3.175 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.377 -3.529 0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.212 -5.250 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.444 -6.252 1.477 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.433 -4.597 -0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.281 -6.766 -0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.299 -6.360 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.431 -7.574 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.168 -6.052 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.319 -6.867 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.540 -5.148 -1.307 1.00 0.00 H new ATOM 507 N VAL A 33 -7.615 -4.365 -0.347 1.00 0.00 N ATOM 508 CA VAL A 33 -8.970 -4.742 -0.729 1.00 0.00 C ATOM 509 C VAL A 33 -8.987 -6.070 -1.485 1.00 0.00 C ATOM 510 O VAL A 33 -9.890 -6.885 -1.288 1.00 0.00 O ATOM 511 CB VAL A 33 -9.586 -3.640 -1.598 1.00 0.00 C ATOM 512 CG1 VAL A 33 -10.865 -4.153 -2.268 1.00 0.00 C ATOM 513 CG2 VAL A 33 -9.925 -2.436 -0.714 1.00 0.00 C ATOM 0 H VAL A 33 -7.067 -3.934 -1.092 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.558 -4.866 0.181 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.873 -3.348 -2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.295 -3.363 -2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.628 -5.013 -2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.583 -4.449 -1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.364 -1.648 -1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.637 -2.738 0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.016 -2.065 -0.241 1.00 0.00 H new ATOM 523 N ASP A 34 -8.002 -6.283 -2.356 1.00 0.00 N ATOM 524 CA ASP A 34 -7.951 -7.519 -3.130 1.00 0.00 C ATOM 525 C ASP A 34 -6.569 -7.743 -3.735 1.00 0.00 C ATOM 526 O ASP A 34 -5.905 -6.798 -4.164 1.00 0.00 O ATOM 527 CB ASP A 34 -8.988 -7.463 -4.255 1.00 0.00 C ATOM 528 CG ASP A 34 -9.437 -8.873 -4.634 1.00 0.00 C ATOM 529 OD1 ASP A 34 -8.578 -9.699 -4.900 1.00 0.00 O ATOM 530 OD2 ASP A 34 -10.634 -9.106 -4.657 1.00 0.00 O ATOM 0 H ASP A 34 -7.242 -5.628 -2.541 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.169 -8.347 -2.455 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.848 -6.874 -3.937 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.563 -6.963 -5.126 1.00 0.00 H new ATOM 535 N VAL A 35 -6.158 -9.008 -3.778 1.00 0.00 N ATOM 536 CA VAL A 35 -4.868 -9.373 -4.347 1.00 0.00 C ATOM 537 C VAL A 35 -5.072 -10.095 -5.677 1.00 0.00 C ATOM 538 O VAL A 35 -5.432 -11.272 -5.706 1.00 0.00 O ATOM 539 CB VAL A 35 -4.100 -10.279 -3.379 1.00 0.00 C ATOM 540 CG1 VAL A 35 -2.819 -10.784 -4.053 1.00 0.00 C ATOM 541 CG2 VAL A 35 -3.731 -9.487 -2.119 1.00 0.00 C ATOM 0 H VAL A 35 -6.701 -9.796 -3.425 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.290 -8.465 -4.516 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.727 -11.128 -3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.274 -11.428 -3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.077 -11.349 -4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.193 -9.935 -4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.185 -10.132 -1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.106 -8.637 -2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.640 -9.128 -1.636 1.00 0.00 H new ATOM 551 N GLU A 36 -4.838 -9.380 -6.774 1.00 0.00 N ATOM 552 CA GLU A 36 -4.994 -9.958 -8.103 1.00 0.00 C ATOM 553 C GLU A 36 -3.626 -10.247 -8.709 1.00 0.00 C ATOM 554 O GLU A 36 -2.597 -9.943 -8.106 1.00 0.00 O ATOM 555 CB GLU A 36 -5.776 -8.992 -9.000 1.00 0.00 C ATOM 556 CG GLU A 36 -6.532 -9.783 -10.076 1.00 0.00 C ATOM 557 CD GLU A 36 -7.565 -8.896 -10.771 1.00 0.00 C ATOM 558 OE1 GLU A 36 -8.142 -8.047 -10.108 1.00 0.00 O ATOM 559 OE2 GLU A 36 -7.769 -9.082 -11.959 1.00 0.00 O ATOM 0 H GLU A 36 -4.541 -8.404 -6.768 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.547 -10.894 -8.023 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.478 -8.412 -8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.094 -8.282 -9.468 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.827 -10.173 -10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.028 -10.641 -9.623 1.00 0.00 H new ATOM 566 N ASP A 37 -3.621 -10.838 -9.900 1.00 0.00 N ATOM 567 CA ASP A 37 -2.370 -11.164 -10.575 1.00 0.00 C ATOM 568 C ASP A 37 -1.490 -9.922 -10.731 1.00 0.00 C ATOM 569 O ASP A 37 -0.326 -10.023 -11.118 1.00 0.00 O ATOM 570 CB ASP A 37 -2.665 -11.761 -11.952 1.00 0.00 C ATOM 571 CG ASP A 37 -2.783 -13.278 -11.849 1.00 0.00 C ATOM 572 OD1 ASP A 37 -1.754 -13.930 -11.777 1.00 0.00 O ATOM 573 OD2 ASP A 37 -3.901 -13.768 -11.841 1.00 0.00 O ATOM 0 H ASP A 37 -4.462 -11.099 -10.414 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.833 -11.892 -9.966 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.590 -11.342 -12.348 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.871 -11.496 -12.650 1.00 0.00 H new ATOM 578 N GLY A 38 -2.054 -8.754 -10.421 1.00 0.00 N ATOM 579 CA GLY A 38 -1.309 -7.502 -10.524 1.00 0.00 C ATOM 580 C GLY A 38 -2.188 -6.297 -10.190 1.00 0.00 C ATOM 581 O GLY A 38 -1.685 -5.248 -9.782 1.00 0.00 O ATOM 0 H GLY A 38 -3.016 -8.650 -10.099 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.455 -7.529 -9.847 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.912 -7.396 -11.534 1.00 0.00 H new ATOM 585 N ILE A 39 -3.499 -6.451 -10.367 1.00 0.00 N ATOM 586 CA ILE A 39 -4.436 -5.367 -10.082 1.00 0.00 C ATOM 587 C ILE A 39 -4.772 -5.338 -8.595 1.00 0.00 C ATOM 588 O ILE A 39 -5.924 -5.521 -8.196 1.00 0.00 O ATOM 589 CB ILE A 39 -5.719 -5.534 -10.910 1.00 0.00 C ATOM 590 CG1 ILE A 39 -5.356 -5.745 -12.387 1.00 0.00 C ATOM 591 CG2 ILE A 39 -6.579 -4.271 -10.777 1.00 0.00 C ATOM 592 CD1 ILE A 39 -5.240 -7.242 -12.693 1.00 0.00 C ATOM 0 H ILE A 39 -3.934 -7.310 -10.704 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.966 -4.423 -10.356 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.274 -6.398 -10.545 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.116 -5.294 -13.024 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.414 -5.246 -12.613 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.490 -4.388 -11.364 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.839 -4.117 -9.730 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.020 -3.410 -11.143 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.982 -7.380 -13.743 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.463 -7.682 -12.068 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.192 -7.731 -12.486 1.00 0.00 H new ATOM 604 N VAL A 40 -3.751 -5.110 -7.780 1.00 0.00 N ATOM 605 CA VAL A 40 -3.934 -5.056 -6.334 1.00 0.00 C ATOM 606 C VAL A 40 -4.608 -3.747 -5.925 1.00 0.00 C ATOM 607 O VAL A 40 -4.054 -2.661 -6.120 1.00 0.00 O ATOM 608 CB VAL A 40 -2.573 -5.192 -5.631 1.00 0.00 C ATOM 609 CG1 VAL A 40 -2.597 -4.468 -4.276 1.00 0.00 C ATOM 610 CG2 VAL A 40 -2.264 -6.676 -5.406 1.00 0.00 C ATOM 0 H VAL A 40 -2.792 -4.960 -8.092 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.578 -5.882 -6.033 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.804 -4.742 -6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.627 -4.573 -3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.812 -3.411 -4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.369 -4.906 -3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.300 -6.775 -4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.041 -7.119 -4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.231 -7.190 -6.366 1.00 0.00 H new ATOM 620 N LYS A 41 -5.797 -3.862 -5.343 1.00 0.00 N ATOM 621 CA LYS A 41 -6.530 -2.688 -4.888 1.00 0.00 C ATOM 622 C LYS A 41 -6.045 -2.295 -3.495 1.00 0.00 C ATOM 623 O LYS A 41 -5.607 -3.146 -2.720 1.00 0.00 O ATOM 624 CB LYS A 41 -8.032 -2.987 -4.857 1.00 0.00 C ATOM 625 CG LYS A 41 -8.594 -2.940 -6.282 1.00 0.00 C ATOM 626 CD LYS A 41 -9.965 -3.621 -6.316 1.00 0.00 C ATOM 627 CE LYS A 41 -10.598 -3.439 -7.698 1.00 0.00 C ATOM 628 NZ LYS A 41 -11.665 -4.460 -7.897 1.00 0.00 N ATOM 0 H LYS A 41 -6.270 -4.750 -5.176 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.353 -1.862 -5.577 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.209 -3.969 -4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.545 -2.259 -4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.682 -1.906 -6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.911 -3.439 -6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.860 -4.682 -6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.613 -3.195 -5.550 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.018 -2.437 -7.788 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.838 -3.537 -8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.094 -4.335 -8.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.252 -5.412 -7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.395 -4.346 -7.165 1.00 0.00 H new ATOM 642 N LEU A 42 -6.111 -1.004 -3.186 1.00 0.00 N ATOM 643 CA LEU A 42 -5.661 -0.514 -1.886 1.00 0.00 C ATOM 644 C LEU A 42 -6.548 0.641 -1.422 1.00 0.00 C ATOM 645 O LEU A 42 -7.239 1.261 -2.232 1.00 0.00 O ATOM 646 CB LEU A 42 -4.198 -0.059 -2.001 1.00 0.00 C ATOM 647 CG LEU A 42 -3.641 0.326 -0.624 1.00 0.00 C ATOM 648 CD1 LEU A 42 -3.743 -0.864 0.336 1.00 0.00 C ATOM 649 CD2 LEU A 42 -2.170 0.733 -0.772 1.00 0.00 C ATOM 0 H LEU A 42 -6.469 -0.282 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.732 -1.313 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.596 -0.859 -2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.129 0.792 -2.678 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.219 1.158 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.345 -0.581 1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.787 -1.158 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.169 -1.702 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.769 1.008 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.600 -0.103 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.094 1.584 -1.448 1.00 0.00 H new ATOM 661 N GLN A 43 -6.534 0.922 -0.119 1.00 0.00 N ATOM 662 CA GLN A 43 -7.354 2.003 0.427 1.00 0.00 C ATOM 663 C GLN A 43 -6.636 2.713 1.570 1.00 0.00 C ATOM 664 O GLN A 43 -6.483 2.160 2.661 1.00 0.00 O ATOM 665 CB GLN A 43 -8.682 1.443 0.942 1.00 0.00 C ATOM 666 CG GLN A 43 -9.692 1.368 -0.205 1.00 0.00 C ATOM 667 CD GLN A 43 -10.934 0.602 0.240 1.00 0.00 C ATOM 668 OE1 GLN A 43 -10.998 0.118 1.370 1.00 0.00 O ATOM 669 NE2 GLN A 43 -11.933 0.464 -0.587 1.00 0.00 N ATOM 0 H GLN A 43 -5.972 0.423 0.570 1.00 0.00 H new ATOM 0 HA GLN A 43 -7.538 2.721 -0.373 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.528 0.452 1.369 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -9.070 2.077 1.739 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.969 2.373 -0.522 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -9.240 0.875 -1.066 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.879 0.865 -1.523 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.768 -0.045 -0.298 1.00 0.00 H new ATOM 678 N LEU A 44 -6.209 3.947 1.311 1.00 0.00 N ATOM 679 CA LEU A 44 -5.522 4.739 2.327 1.00 0.00 C ATOM 680 C LEU A 44 -6.519 5.627 3.071 1.00 0.00 C ATOM 681 O LEU A 44 -7.458 6.150 2.471 1.00 0.00 O ATOM 682 CB LEU A 44 -4.441 5.613 1.675 1.00 0.00 C ATOM 683 CG LEU A 44 -3.086 5.357 2.349 1.00 0.00 C ATOM 684 CD1 LEU A 44 -1.957 5.846 1.436 1.00 0.00 C ATOM 685 CD2 LEU A 44 -3.020 6.110 3.684 1.00 0.00 C ATOM 0 H LEU A 44 -6.326 4.417 0.413 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.053 4.058 3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.375 5.391 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.709 6.666 1.765 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.973 4.288 2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.996 5.663 1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.997 5.309 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.074 6.914 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.056 5.925 4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.137 7.179 3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.819 5.762 4.338 1.00 0.00 H new ATOM 697 N HIS A 45 -6.303 5.804 4.374 1.00 0.00 N ATOM 698 CA HIS A 45 -7.186 6.644 5.177 1.00 0.00 C ATOM 699 C HIS A 45 -6.506 7.040 6.489 1.00 0.00 C ATOM 700 O HIS A 45 -6.249 6.200 7.352 1.00 0.00 O ATOM 701 CB HIS A 45 -8.522 5.926 5.439 1.00 0.00 C ATOM 702 CG HIS A 45 -8.386 4.919 6.552 1.00 0.00 C ATOM 703 ND1 HIS A 45 -8.707 5.220 7.869 1.00 0.00 N ATOM 704 CD2 HIS A 45 -7.983 3.607 6.556 1.00 0.00 C ATOM 705 CE1 HIS A 45 -8.494 4.112 8.602 1.00 0.00 C ATOM 706 NE2 HIS A 45 -8.053 3.100 7.852 1.00 0.00 N ATOM 0 H HIS A 45 -5.532 5.381 4.891 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.398 7.557 4.620 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -9.287 6.658 5.698 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -8.854 5.425 4.530 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.661 3.052 5.687 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -8.660 4.049 9.667 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.818 2.157 8.161 1.00 0.00 H new ATOM 714 N GLY A 46 -6.209 8.330 6.624 1.00 0.00 N ATOM 715 CA GLY A 46 -5.554 8.839 7.824 1.00 0.00 C ATOM 716 C GLY A 46 -6.574 9.452 8.775 1.00 0.00 C ATOM 717 O GLY A 46 -7.054 8.791 9.697 1.00 0.00 O ATOM 0 H GLY A 46 -6.411 9.039 5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.022 8.030 8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.810 9.587 7.549 1.00 0.00 H new ATOM 721 N ALA A 47 -6.906 10.719 8.537 1.00 0.00 N ATOM 722 CA ALA A 47 -7.874 11.422 9.371 1.00 0.00 C ATOM 723 C ALA A 47 -9.298 10.996 9.008 1.00 0.00 C ATOM 724 O ALA A 47 -9.830 10.037 9.571 1.00 0.00 O ATOM 725 CB ALA A 47 -7.717 12.936 9.186 1.00 0.00 C ATOM 0 H ALA A 47 -6.520 11.277 7.776 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.689 11.167 10.415 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.443 13.456 9.811 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.709 13.235 9.474 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.887 13.194 8.141 1.00 0.00 H new ATOM 763 N CYS A 51 -9.479 16.081 2.323 1.00 0.00 N ATOM 764 CA CYS A 51 -8.632 16.528 1.211 1.00 0.00 C ATOM 765 C CYS A 51 -7.208 16.838 1.678 1.00 0.00 C ATOM 766 O CYS A 51 -6.834 18.002 1.831 1.00 0.00 O ATOM 767 CB CYS A 51 -9.238 17.772 0.551 1.00 0.00 C ATOM 768 SG CYS A 51 -9.645 19.005 1.813 1.00 0.00 S ATOM 0 HA CYS A 51 -8.584 15.715 0.486 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -8.534 18.193 -0.167 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -10.135 17.499 -0.005 1.00 0.00 H new ATOM 0 HG CYS A 51 -8.600 19.231 2.552 1.00 0.00 H new ATOM 774 N PRO A 52 -6.415 15.823 1.907 1.00 0.00 N ATOM 775 CA PRO A 52 -5.009 15.990 2.367 1.00 0.00 C ATOM 776 C PRO A 52 -4.084 16.476 1.252 1.00 0.00 C ATOM 777 O PRO A 52 -4.115 15.959 0.134 1.00 0.00 O ATOM 778 CB PRO A 52 -4.588 14.595 2.849 1.00 0.00 C ATOM 779 CG PRO A 52 -5.762 13.685 2.647 1.00 0.00 C ATOM 780 CD PRO A 52 -6.767 14.410 1.754 1.00 0.00 C ATOM 0 HA PRO A 52 -4.939 16.747 3.148 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.724 14.239 2.289 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.298 14.622 3.899 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.445 12.750 2.185 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.216 13.430 3.604 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.685 14.088 0.716 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.793 14.217 2.068 1.00 0.00 H new ATOM 788 N SER A 53 -3.258 17.466 1.576 1.00 0.00 N ATOM 789 CA SER A 53 -2.315 18.019 0.611 1.00 0.00 C ATOM 790 C SER A 53 -0.957 17.323 0.732 1.00 0.00 C ATOM 791 O SER A 53 -0.190 17.272 -0.230 1.00 0.00 O ATOM 792 CB SER A 53 -2.156 19.524 0.849 1.00 0.00 C ATOM 793 OG SER A 53 -1.433 20.102 -0.231 1.00 0.00 O ATOM 0 H SER A 53 -3.223 17.901 2.498 1.00 0.00 H new ATOM 0 HA SER A 53 -2.701 17.852 -0.395 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.135 19.994 0.938 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.631 19.701 1.788 1.00 0.00 H new ATOM 0 HG SER A 53 -1.333 21.065 -0.079 1.00 0.00 H new ATOM 799 N SER A 54 -0.670 16.793 1.922 1.00 0.00 N ATOM 800 CA SER A 54 0.598 16.106 2.168 1.00 0.00 C ATOM 801 C SER A 54 0.542 14.643 1.717 1.00 0.00 C ATOM 802 O SER A 54 1.478 14.148 1.084 1.00 0.00 O ATOM 803 CB SER A 54 0.940 16.164 3.658 1.00 0.00 C ATOM 804 OG SER A 54 -0.223 15.863 4.420 1.00 0.00 O ATOM 0 H SER A 54 -1.296 16.826 2.727 1.00 0.00 H new ATOM 0 HA SER A 54 1.369 16.613 1.588 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.734 15.453 3.889 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.313 17.154 3.919 1.00 0.00 H new ATOM 0 HG SER A 54 -0.006 15.898 5.375 1.00 0.00 H new ATOM 810 N THR A 55 -0.550 13.956 2.051 1.00 0.00 N ATOM 811 CA THR A 55 -0.704 12.550 1.676 1.00 0.00 C ATOM 812 C THR A 55 -0.437 12.365 0.186 1.00 0.00 C ATOM 813 O THR A 55 0.071 11.327 -0.240 1.00 0.00 O ATOM 814 CB THR A 55 -2.120 12.066 2.012 1.00 0.00 C ATOM 815 OG1 THR A 55 -2.468 12.510 3.315 1.00 0.00 O ATOM 816 CG2 THR A 55 -2.175 10.535 1.964 1.00 0.00 C ATOM 0 H THR A 55 -1.334 14.345 2.575 1.00 0.00 H new ATOM 0 HA THR A 55 0.019 11.961 2.240 1.00 0.00 H new ATOM 0 HB THR A 55 -2.822 12.471 1.283 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.373 12.205 3.534 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.184 10.199 2.204 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.907 10.192 0.965 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.474 10.123 2.689 1.00 0.00 H new ATOM 824 N ILE A 56 -0.773 13.387 -0.595 1.00 0.00 N ATOM 825 CA ILE A 56 -0.559 13.346 -2.037 1.00 0.00 C ATOM 826 C ILE A 56 0.918 13.101 -2.344 1.00 0.00 C ATOM 827 O ILE A 56 1.254 12.308 -3.225 1.00 0.00 O ATOM 828 CB ILE A 56 -1.018 14.668 -2.666 1.00 0.00 C ATOM 829 CG1 ILE A 56 -2.552 14.697 -2.721 1.00 0.00 C ATOM 830 CG2 ILE A 56 -0.453 14.792 -4.084 1.00 0.00 C ATOM 831 CD1 ILE A 56 -3.030 16.097 -3.116 1.00 0.00 C ATOM 0 H ILE A 56 -1.194 14.252 -0.254 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.142 12.528 -2.461 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.656 15.501 -2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.913 13.963 -3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.965 14.422 -1.751 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.782 15.733 -4.526 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.636 14.771 -4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.810 13.961 -4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.119 16.112 -3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.682 16.821 -2.380 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.629 16.355 -4.096 1.00 0.00 H new ATOM 843 N THR A 57 1.791 13.783 -1.607 1.00 0.00 N ATOM 844 CA THR A 57 3.231 13.628 -1.800 1.00 0.00 C ATOM 845 C THR A 57 3.664 12.209 -1.445 1.00 0.00 C ATOM 846 O THR A 57 4.306 11.528 -2.247 1.00 0.00 O ATOM 847 CB THR A 57 3.991 14.633 -0.928 1.00 0.00 C ATOM 848 OG1 THR A 57 3.482 15.939 -1.162 1.00 0.00 O ATOM 849 CG2 THR A 57 5.482 14.595 -1.275 1.00 0.00 C ATOM 0 H THR A 57 1.530 14.444 -0.875 1.00 0.00 H new ATOM 0 HA THR A 57 3.462 13.817 -2.848 1.00 0.00 H new ATOM 0 HB THR A 57 3.860 14.372 0.122 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.966 16.583 -0.604 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.019 15.311 -0.653 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.872 13.593 -1.095 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.618 14.853 -2.325 1.00 0.00 H new ATOM 857 N LEU A 58 3.309 11.769 -0.238 1.00 0.00 N ATOM 858 CA LEU A 58 3.670 10.426 0.206 1.00 0.00 C ATOM 859 C LEU A 58 3.132 9.383 -0.770 1.00 0.00 C ATOM 860 O LEU A 58 3.855 8.475 -1.178 1.00 0.00 O ATOM 861 CB LEU A 58 3.112 10.153 1.605 1.00 0.00 C ATOM 862 CG LEU A 58 3.721 8.855 2.150 1.00 0.00 C ATOM 863 CD1 LEU A 58 5.054 9.160 2.838 1.00 0.00 C ATOM 864 CD2 LEU A 58 2.761 8.215 3.157 1.00 0.00 C ATOM 0 H LEU A 58 2.779 12.316 0.441 1.00 0.00 H new ATOM 0 HA LEU A 58 4.758 10.360 0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.345 10.985 2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.026 10.070 1.566 1.00 0.00 H new ATOM 0 HG LEU A 58 3.889 8.165 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.484 8.236 3.224 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.741 9.607 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.888 9.855 3.661 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.198 7.293 3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.586 8.905 3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.815 7.990 2.665 1.00 0.00 H new ATOM 876 N LYS A 59 1.863 9.528 -1.145 1.00 0.00 N ATOM 877 CA LYS A 59 1.235 8.602 -2.083 1.00 0.00 C ATOM 878 C LYS A 59 2.129 8.407 -3.305 1.00 0.00 C ATOM 879 O LYS A 59 2.456 7.280 -3.678 1.00 0.00 O ATOM 880 CB LYS A 59 -0.128 9.148 -2.521 1.00 0.00 C ATOM 881 CG LYS A 59 -0.947 8.039 -3.194 1.00 0.00 C ATOM 882 CD LYS A 59 -1.933 8.663 -4.191 1.00 0.00 C ATOM 883 CE LYS A 59 -3.155 7.752 -4.352 1.00 0.00 C ATOM 884 NZ LYS A 59 -4.163 8.413 -5.234 1.00 0.00 N ATOM 0 H LYS A 59 1.252 10.275 -0.815 1.00 0.00 H new ATOM 0 HA LYS A 59 1.094 7.641 -1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.668 9.537 -1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.009 9.980 -3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.284 7.344 -3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.488 7.465 -2.442 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.245 9.647 -3.840 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.446 8.808 -5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.854 6.796 -4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.594 7.540 -3.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.561 7.713 -5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.925 8.813 -4.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.705 9.174 -5.775 1.00 0.00 H new ATOM 898 N ALA A 60 2.525 9.521 -3.915 1.00 0.00 N ATOM 899 CA ALA A 60 3.388 9.484 -5.091 1.00 0.00 C ATOM 900 C ALA A 60 4.734 8.847 -4.751 1.00 0.00 C ATOM 901 O ALA A 60 5.432 8.339 -5.630 1.00 0.00 O ATOM 902 CB ALA A 60 3.606 10.905 -5.618 1.00 0.00 C ATOM 0 H ALA A 60 2.262 10.460 -3.614 1.00 0.00 H new ATOM 0 HA ALA A 60 2.903 8.882 -5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.251 10.872 -6.496 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.646 11.344 -5.889 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.077 11.512 -4.844 1.00 0.00 H new ATOM 908 N GLY A 61 5.090 8.883 -3.469 1.00 0.00 N ATOM 909 CA GLY A 61 6.352 8.313 -3.015 1.00 0.00 C ATOM 910 C GLY A 61 6.305 6.790 -3.038 1.00 0.00 C ATOM 911 O GLY A 61 7.095 6.148 -3.731 1.00 0.00 O ATOM 0 H GLY A 61 4.524 9.300 -2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.164 8.665 -3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.568 8.658 -2.004 1.00 0.00 H new ATOM 915 N ILE A 62 5.371 6.215 -2.282 1.00 0.00 N ATOM 916 CA ILE A 62 5.238 4.762 -2.234 1.00 0.00 C ATOM 917 C ILE A 62 4.860 4.221 -3.609 1.00 0.00 C ATOM 918 O ILE A 62 5.483 3.284 -4.103 1.00 0.00 O ATOM 919 CB ILE A 62 4.189 4.339 -1.194 1.00 0.00 C ATOM 920 CG1 ILE A 62 3.106 5.418 -1.064 1.00 0.00 C ATOM 921 CG2 ILE A 62 4.873 4.140 0.161 1.00 0.00 C ATOM 922 CD1 ILE A 62 1.906 4.856 -0.299 1.00 0.00 C ATOM 0 H ILE A 62 4.704 6.725 -1.702 1.00 0.00 H new ATOM 0 HA ILE A 62 6.200 4.343 -1.939 1.00 0.00 H new ATOM 0 HB ILE A 62 3.724 3.407 -1.516 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.506 6.288 -0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.794 5.754 -2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.132 3.840 0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.634 3.365 0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.341 5.074 0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.139 5.625 -0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.500 4.000 -0.838 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.223 4.542 0.695 1.00 0.00 H new ATOM 934 N GLU A 63 3.843 4.824 -4.224 1.00 0.00 N ATOM 935 CA GLU A 63 3.401 4.400 -5.552 1.00 0.00 C ATOM 936 C GLU A 63 4.601 4.199 -6.474 1.00 0.00 C ATOM 937 O GLU A 63 4.836 3.098 -6.969 1.00 0.00 O ATOM 938 CB GLU A 63 2.452 5.444 -6.148 1.00 0.00 C ATOM 939 CG GLU A 63 1.700 4.845 -7.340 1.00 0.00 C ATOM 940 CD GLU A 63 0.784 5.898 -7.956 1.00 0.00 C ATOM 941 OE1 GLU A 63 1.278 6.712 -8.718 1.00 0.00 O ATOM 942 OE2 GLU A 63 -0.397 5.878 -7.652 1.00 0.00 O ATOM 0 H GLU A 63 3.314 5.601 -3.828 1.00 0.00 H new ATOM 0 HA GLU A 63 2.872 3.452 -5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.743 5.778 -5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.016 6.321 -6.466 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.409 4.486 -8.086 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.114 3.985 -7.017 1.00 0.00 H new ATOM 949 N ARG A 64 5.361 5.272 -6.692 1.00 0.00 N ATOM 950 CA ARG A 64 6.540 5.203 -7.552 1.00 0.00 C ATOM 951 C ARG A 64 7.467 4.073 -7.105 1.00 0.00 C ATOM 952 O ARG A 64 7.947 3.293 -7.928 1.00 0.00 O ATOM 953 CB ARG A 64 7.293 6.536 -7.509 1.00 0.00 C ATOM 954 CG ARG A 64 8.393 6.544 -8.578 1.00 0.00 C ATOM 955 CD ARG A 64 9.202 7.840 -8.474 1.00 0.00 C ATOM 956 NE ARG A 64 8.337 8.994 -8.699 1.00 0.00 N ATOM 957 CZ ARG A 64 8.245 9.561 -9.898 1.00 0.00 C ATOM 958 NH1 ARG A 64 9.209 10.323 -10.336 1.00 0.00 N ATOM 959 NH2 ARG A 64 7.189 9.358 -10.637 1.00 0.00 N ATOM 0 H ARG A 64 5.183 6.192 -6.288 1.00 0.00 H new ATOM 0 HA ARG A 64 6.213 5.003 -8.572 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.601 7.361 -7.679 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.731 6.686 -6.522 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.048 5.683 -8.446 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.950 6.459 -9.570 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.665 7.910 -7.490 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.009 7.833 -9.206 1.00 0.00 H new ATOM 0 HE ARG A 64 7.794 9.372 -7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.034 10.484 -9.758 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.138 10.758 -11.256 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.434 8.764 -10.295 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.119 9.793 -11.557 1.00 0.00 H new ATOM 973 N ALA A 65 7.710 3.990 -5.798 1.00 0.00 N ATOM 974 CA ALA A 65 8.580 2.949 -5.251 1.00 0.00 C ATOM 975 C ALA A 65 8.062 1.563 -5.624 1.00 0.00 C ATOM 976 O ALA A 65 8.769 0.774 -6.251 1.00 0.00 O ATOM 977 CB ALA A 65 8.654 3.074 -3.728 1.00 0.00 C ATOM 0 H ALA A 65 7.320 4.626 -5.102 1.00 0.00 H new ATOM 0 HA ALA A 65 9.576 3.078 -5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.304 2.295 -3.330 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.055 4.052 -3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.655 2.965 -3.305 1.00 0.00 H new ATOM 983 N LEU A 66 6.823 1.279 -5.233 1.00 0.00 N ATOM 984 CA LEU A 66 6.207 -0.010 -5.528 1.00 0.00 C ATOM 985 C LEU A 66 6.221 -0.266 -7.032 1.00 0.00 C ATOM 986 O LEU A 66 6.639 -1.330 -7.490 1.00 0.00 O ATOM 987 CB LEU A 66 4.760 -0.023 -5.013 1.00 0.00 C ATOM 988 CG LEU A 66 4.717 -0.558 -3.575 1.00 0.00 C ATOM 989 CD1 LEU A 66 5.539 0.349 -2.653 1.00 0.00 C ATOM 990 CD2 LEU A 66 3.264 -0.592 -3.088 1.00 0.00 C ATOM 0 H LEU A 66 6.227 1.923 -4.712 1.00 0.00 H new ATOM 0 HA LEU A 66 6.774 -0.796 -5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.344 0.984 -5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.141 -0.645 -5.660 1.00 0.00 H new ATOM 0 HG LEU A 66 5.137 -1.564 -3.556 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.503 -0.038 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.574 0.374 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.126 1.358 -2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.231 -0.972 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.848 0.415 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.678 -1.244 -3.736 1.00 0.00 H new ATOM 1002 N HIS A 67 5.769 0.727 -7.793 1.00 0.00 N ATOM 1003 CA HIS A 67 5.735 0.619 -9.248 1.00 0.00 C ATOM 1004 C HIS A 67 7.094 0.178 -9.779 1.00 0.00 C ATOM 1005 O HIS A 67 7.178 -0.640 -10.698 1.00 0.00 O ATOM 1006 CB HIS A 67 5.355 1.971 -9.859 1.00 0.00 C ATOM 1007 CG HIS A 67 3.868 2.170 -9.752 1.00 0.00 C ATOM 1008 ND1 HIS A 67 3.118 2.683 -10.796 1.00 0.00 N ATOM 1009 CD2 HIS A 67 2.978 1.926 -8.735 1.00 0.00 C ATOM 1010 CE1 HIS A 67 1.836 2.732 -10.389 1.00 0.00 C ATOM 1011 NE2 HIS A 67 1.696 2.282 -9.140 1.00 0.00 N ATOM 0 H HIS A 67 5.422 1.614 -7.427 1.00 0.00 H new ATOM 0 HA HIS A 67 4.990 -0.126 -9.527 1.00 0.00 H new ATOM 0 HB2 HIS A 67 5.878 2.775 -9.342 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.663 2.009 -10.904 1.00 0.00 H new ATOM 0 HD1 HIS A 67 3.472 2.971 -11.708 1.00 0.00 H new ATOM 0 HD2 HIS A 67 3.235 1.520 -7.768 1.00 0.00 H new ATOM 0 HE1 HIS A 67 1.020 3.092 -10.999 1.00 0.00 H new ATOM 1019 N GLU A 68 8.154 0.725 -9.190 1.00 0.00 N ATOM 1020 CA GLU A 68 9.512 0.389 -9.603 1.00 0.00 C ATOM 1021 C GLU A 68 9.788 -1.099 -9.397 1.00 0.00 C ATOM 1022 O GLU A 68 10.169 -1.801 -10.334 1.00 0.00 O ATOM 1023 CB GLU A 68 10.525 1.207 -8.792 1.00 0.00 C ATOM 1024 CG GLU A 68 11.873 1.234 -9.525 1.00 0.00 C ATOM 1025 CD GLU A 68 13.017 1.535 -8.553 1.00 0.00 C ATOM 1026 OE1 GLU A 68 12.744 1.787 -7.388 1.00 0.00 O ATOM 1027 OE2 GLU A 68 14.156 1.510 -8.990 1.00 0.00 O ATOM 0 H GLU A 68 8.099 1.401 -8.428 1.00 0.00 H new ATOM 0 HA GLU A 68 9.613 0.625 -10.662 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.157 2.223 -8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.648 0.772 -7.800 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.047 0.274 -10.011 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.849 1.989 -10.310 1.00 0.00 H new ATOM 1034 N GLU A 69 9.594 -1.574 -8.167 1.00 0.00 N ATOM 1035 CA GLU A 69 9.827 -2.974 -7.853 1.00 0.00 C ATOM 1036 C GLU A 69 8.585 -3.803 -8.165 1.00 0.00 C ATOM 1037 O GLU A 69 8.126 -3.842 -9.308 1.00 0.00 O ATOM 1038 CB GLU A 69 10.204 -3.116 -6.373 1.00 0.00 C ATOM 1039 CG GLU A 69 11.498 -2.349 -6.093 1.00 0.00 C ATOM 1040 CD GLU A 69 11.781 -2.335 -4.594 1.00 0.00 C ATOM 1041 OE1 GLU A 69 11.176 -1.530 -3.904 1.00 0.00 O ATOM 1042 OE2 GLU A 69 12.593 -3.132 -4.157 1.00 0.00 O ATOM 0 H GLU A 69 9.278 -1.009 -7.379 1.00 0.00 H new ATOM 0 HA GLU A 69 10.649 -3.343 -8.467 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.400 -2.733 -5.745 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.332 -4.168 -6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.329 -2.814 -6.624 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.413 -1.328 -6.465 1.00 0.00 H new ATOM 1049 N VAL A 70 8.053 -4.461 -7.137 1.00 0.00 N ATOM 1050 CA VAL A 70 6.861 -5.300 -7.281 1.00 0.00 C ATOM 1051 C VAL A 70 6.872 -6.024 -8.631 1.00 0.00 C ATOM 1052 O VAL A 70 5.912 -5.933 -9.399 1.00 0.00 O ATOM 1053 CB VAL A 70 5.591 -4.447 -7.139 1.00 0.00 C ATOM 1054 CG1 VAL A 70 4.365 -5.355 -6.985 1.00 0.00 C ATOM 1055 CG2 VAL A 70 5.707 -3.559 -5.898 1.00 0.00 C ATOM 0 H VAL A 70 8.430 -4.430 -6.190 1.00 0.00 H new ATOM 0 HA VAL A 70 6.867 -6.050 -6.490 1.00 0.00 H new ATOM 0 HB VAL A 70 5.479 -3.830 -8.030 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.469 -4.743 -6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.272 -5.993 -7.864 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.481 -5.976 -6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.806 -2.954 -5.798 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.825 -4.184 -5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.573 -2.905 -5.998 1.00 0.00 H new ATOM 1065 N PRO A 71 7.943 -6.724 -8.935 1.00 0.00 N ATOM 1066 CA PRO A 71 8.092 -7.467 -10.219 1.00 0.00 C ATOM 1067 C PRO A 71 6.811 -8.201 -10.607 1.00 0.00 C ATOM 1068 O PRO A 71 6.519 -9.280 -10.087 1.00 0.00 O ATOM 1069 CB PRO A 71 9.245 -8.454 -9.960 1.00 0.00 C ATOM 1070 CG PRO A 71 9.694 -8.234 -8.545 1.00 0.00 C ATOM 1071 CD PRO A 71 9.128 -6.890 -8.092 1.00 0.00 C ATOM 0 HA PRO A 71 8.297 -6.796 -11.053 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.914 -9.482 -10.105 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.065 -8.282 -10.657 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.339 -9.038 -7.900 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.782 -8.233 -8.483 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.871 -6.898 -7.033 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.844 -6.081 -8.240 1.00 0.00 H new ATOM 1079 N GLY A 72 6.050 -7.598 -11.516 1.00 0.00 N ATOM 1080 CA GLY A 72 4.794 -8.185 -11.967 1.00 0.00 C ATOM 1081 C GLY A 72 3.667 -7.157 -11.920 1.00 0.00 C ATOM 1082 O GLY A 72 2.568 -7.407 -12.417 1.00 0.00 O ATOM 0 H GLY A 72 6.281 -6.706 -11.953 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.907 -8.560 -12.984 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.540 -9.039 -11.339 1.00 0.00 H new ATOM 1086 N VAL A 73 3.947 -5.998 -11.319 1.00 0.00 N ATOM 1087 CA VAL A 73 2.944 -4.939 -11.215 1.00 0.00 C ATOM 1088 C VAL A 73 2.579 -4.413 -12.596 1.00 0.00 C ATOM 1089 O VAL A 73 3.433 -4.291 -13.475 1.00 0.00 O ATOM 1090 CB VAL A 73 3.461 -3.794 -10.327 1.00 0.00 C ATOM 1091 CG1 VAL A 73 4.755 -3.216 -10.909 1.00 0.00 C ATOM 1092 CG2 VAL A 73 2.402 -2.688 -10.246 1.00 0.00 C ATOM 0 H VAL A 73 4.850 -5.772 -10.902 1.00 0.00 H new ATOM 0 HA VAL A 73 2.048 -5.358 -10.756 1.00 0.00 H new ATOM 0 HB VAL A 73 3.662 -4.185 -9.329 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.111 -2.407 -10.272 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.513 -3.998 -10.959 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.563 -2.832 -11.911 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.770 -1.878 -9.617 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.197 -2.306 -11.246 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.485 -3.093 -9.817 1.00 0.00 H new ATOM 1102 N ILE A 74 1.296 -4.121 -12.775 1.00 0.00 N ATOM 1103 CA ILE A 74 0.798 -3.622 -14.050 1.00 0.00 C ATOM 1104 C ILE A 74 0.003 -2.339 -13.847 1.00 0.00 C ATOM 1105 O ILE A 74 0.241 -1.336 -14.520 1.00 0.00 O ATOM 1106 CB ILE A 74 -0.097 -4.677 -14.713 1.00 0.00 C ATOM 1107 CG1 ILE A 74 0.196 -6.065 -14.118 1.00 0.00 C ATOM 1108 CG2 ILE A 74 0.179 -4.692 -16.215 1.00 0.00 C ATOM 1109 CD1 ILE A 74 -0.413 -7.160 -15.000 1.00 0.00 C ATOM 0 H ILE A 74 0.582 -4.221 -12.053 1.00 0.00 H new ATOM 0 HA ILE A 74 1.652 -3.412 -14.694 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.143 -4.431 -14.533 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.273 -6.213 -14.034 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.214 -6.130 -13.110 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.453 -5.440 -16.694 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.039 -3.710 -16.635 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.227 -4.937 -16.390 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.198 -8.137 -14.567 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.492 -7.020 -15.061 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.018 -7.103 -16.000 1.00 0.00 H new ATOM 1121 N GLU A 75 -0.942 -2.385 -12.913 1.00 0.00 N ATOM 1122 CA GLU A 75 -1.777 -1.227 -12.621 1.00 0.00 C ATOM 1123 C GLU A 75 -2.497 -1.425 -11.290 1.00 0.00 C ATOM 1124 O GLU A 75 -3.403 -2.253 -11.182 1.00 0.00 O ATOM 1125 CB GLU A 75 -2.802 -1.032 -13.746 1.00 0.00 C ATOM 1126 CG GLU A 75 -3.199 0.443 -13.833 1.00 0.00 C ATOM 1127 CD GLU A 75 -4.562 0.581 -14.508 1.00 0.00 C ATOM 1128 OE1 GLU A 75 -4.592 0.693 -15.723 1.00 0.00 O ATOM 1129 OE2 GLU A 75 -5.557 0.575 -13.800 1.00 0.00 O ATOM 0 H GLU A 75 -1.148 -3.209 -12.348 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.147 -0.340 -12.553 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.381 -1.362 -14.696 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.683 -1.645 -13.558 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.234 0.878 -12.834 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.448 0.997 -14.396 1.00 0.00 H new ATOM 1136 N VAL A 76 -2.085 -0.663 -10.278 1.00 0.00 N ATOM 1137 CA VAL A 76 -2.696 -0.767 -8.954 1.00 0.00 C ATOM 1138 C VAL A 76 -3.934 0.121 -8.862 1.00 0.00 C ATOM 1139 O VAL A 76 -4.282 0.816 -9.818 1.00 0.00 O ATOM 1140 CB VAL A 76 -1.688 -0.353 -7.871 1.00 0.00 C ATOM 1141 CG1 VAL A 76 -0.489 -1.305 -7.887 1.00 0.00 C ATOM 1142 CG2 VAL A 76 -1.200 1.078 -8.132 1.00 0.00 C ATOM 0 H VAL A 76 -1.337 0.027 -10.348 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.992 -1.804 -8.796 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.177 -0.399 -6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.223 -1.007 -7.117 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.829 -2.322 -7.692 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.006 -1.265 -8.863 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.486 1.365 -7.360 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.718 1.126 -9.109 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.049 1.761 -8.113 1.00 0.00 H new ATOM 1152 N GLU A 77 -4.588 0.093 -7.702 1.00 0.00 N ATOM 1153 CA GLU A 77 -5.785 0.902 -7.484 1.00 0.00 C ATOM 1154 C GLU A 77 -5.885 1.309 -6.015 1.00 0.00 C ATOM 1155 O GLU A 77 -6.533 0.635 -5.215 1.00 0.00 O ATOM 1156 CB GLU A 77 -7.040 0.118 -7.892 1.00 0.00 C ATOM 1157 CG GLU A 77 -7.264 0.247 -9.405 1.00 0.00 C ATOM 1158 CD GLU A 77 -8.540 -0.483 -9.832 1.00 0.00 C ATOM 1159 OE1 GLU A 77 -9.220 -1.020 -8.970 1.00 0.00 O ATOM 1160 OE2 GLU A 77 -8.819 -0.495 -11.019 1.00 0.00 O ATOM 0 H GLU A 77 -4.311 -0.478 -6.903 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.713 1.799 -8.099 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.929 -0.932 -7.620 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.908 0.497 -7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.334 1.300 -9.678 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.408 -0.165 -9.940 1.00 0.00 H new ATOM 1167 N GLN A 78 -5.236 2.421 -5.671 1.00 0.00 N ATOM 1168 CA GLN A 78 -5.254 2.919 -4.298 1.00 0.00 C ATOM 1169 C GLN A 78 -6.234 4.079 -4.169 1.00 0.00 C ATOM 1170 O GLN A 78 -5.867 5.240 -4.361 1.00 0.00 O ATOM 1171 CB GLN A 78 -3.849 3.378 -3.884 1.00 0.00 C ATOM 1172 CG GLN A 78 -3.823 3.678 -2.379 1.00 0.00 C ATOM 1173 CD GLN A 78 -2.808 4.777 -2.075 1.00 0.00 C ATOM 1174 OE1 GLN A 78 -3.202 5.864 -1.469 1.00 0.00 O flip ATOM 1175 NE2 GLN A 78 -1.626 4.641 -2.392 1.00 0.00 N flip ATOM 0 H GLN A 78 -4.694 2.991 -6.321 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.574 2.111 -3.640 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.119 2.605 -4.123 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.567 4.268 -4.447 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.814 3.986 -2.046 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.567 2.774 -1.826 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.319 3.791 -2.865 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.953 5.378 -2.181 1.00 0.00 H new ATOM 1184 N VAL A 79 -7.484 3.757 -3.844 1.00 0.00 N ATOM 1185 CA VAL A 79 -8.515 4.778 -3.691 1.00 0.00 C ATOM 1186 C VAL A 79 -8.556 5.284 -2.249 1.00 0.00 C ATOM 1187 O VAL A 79 -7.835 4.783 -1.380 1.00 0.00 O ATOM 1188 CB VAL A 79 -9.888 4.213 -4.089 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -9.774 3.467 -5.421 1.00 0.00 C ATOM 1190 CG2 VAL A 79 -10.393 3.246 -3.011 1.00 0.00 C ATOM 0 H VAL A 79 -7.805 2.802 -3.683 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.273 5.613 -4.348 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.591 5.040 -4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.749 3.068 -5.699 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.429 4.153 -6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.063 2.647 -5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.366 2.852 -3.303 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.687 2.423 -2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.486 3.775 -2.062 1.00 0.00 H new ATOM 1200 N PHE A 80 -9.405 6.279 -2.006 1.00 0.00 N ATOM 1201 CA PHE A 80 -9.546 6.855 -0.672 1.00 0.00 C ATOM 1202 C PHE A 80 -10.895 6.482 -0.078 1.00 0.00 C ATOM 1203 O PHE A 80 -11.934 6.978 -0.514 1.00 0.00 O ATOM 1204 CB PHE A 80 -9.414 8.380 -0.744 1.00 0.00 C ATOM 1205 CG PHE A 80 -8.086 8.741 -1.371 1.00 0.00 C ATOM 1206 CD1 PHE A 80 -6.895 8.503 -0.674 1.00 0.00 C ATOM 1207 CD2 PHE A 80 -8.047 9.310 -2.651 1.00 0.00 C ATOM 1208 CE1 PHE A 80 -5.666 8.834 -1.256 1.00 0.00 C ATOM 1209 CE2 PHE A 80 -6.818 9.640 -3.232 1.00 0.00 C ATOM 1210 CZ PHE A 80 -5.627 9.402 -2.535 1.00 0.00 C ATOM 0 H PHE A 80 -10.005 6.702 -2.714 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.757 6.457 -0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -10.231 8.799 -1.331 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -9.486 8.810 0.255 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -6.925 8.064 0.312 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -8.965 9.494 -3.189 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.747 8.651 -0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.788 10.079 -4.219 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.678 9.657 -2.984 1.00 0.00 H new