USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 651 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 89 HIS : no HE2:sc= -2.28! C(o=-3.2!,f=-3.8!) USER MOD Set 1.2: A 93 SER OG : rot -150:sc= -0.941 USER MOD Set 2.1: A 49 THR OG1 : rot 118:sc= 1.4 USER MOD Set 2.2: A 51 SER OG : rot 180:sc= 1.03 USER MOD Set 3.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 35 GLN :FLIP amide:sc= 0.731 F(o=-0.27,f=0.29) USER MOD Set 3.3: A 37 ASN : amide:sc= -0.439 K(o=0.29,f=-0.27) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc=-0.00133 F(o=-1.4,f=-0.0013) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc=-0.00209 K(o=-0.0021,f=-1.4) USER MOD Single : A 28 GLN : amide:sc= -0.725 X(o=-0.73,f=-0.41) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 57 CYS SG : rot -104:sc= -0.731 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -1.84 F(o=-3.9!,f=-1.8) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 0.375 K(o=0.38,f=-1.5) USER MOD Single : A 76 ASN :FLIP amide:sc= -2.47! C(o=-5.6!,f=-2.5!) USER MOD Single : A 79 HIS : no HD1:sc= -0.626 K(o=-0.63,f=-2.6) USER MOD Single : A 80 SER OG : rot 180:sc= -1.83 USER MOD Single : A 84 LYS NZ :NH3+ 159:sc= -0.0446 (180deg=-0.336) USER MOD Single : A 86 ASN : amide:sc= 0.725 K(o=0.73,f=-2.4) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 11 -14.557 -4.408 1.046 1.00 0.00 N ATOM 102 CA ALA A 11 -13.260 -3.757 1.179 1.00 0.00 C ATOM 103 C ALA A 11 -12.482 -4.321 2.364 1.00 0.00 C ATOM 104 O ALA A 11 -11.260 -4.188 2.436 1.00 0.00 O ATOM 105 CB ALA A 11 -13.436 -2.253 1.329 1.00 0.00 C ATOM 0 HA ALA A 11 -12.687 -3.956 0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.459 -1.780 1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.944 -1.857 0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.032 -2.043 2.217 1.00 0.00 H new ATOM 111 N ARG A 12 -13.198 -4.951 3.290 1.00 0.00 N ATOM 112 CA ARG A 12 -12.574 -5.533 4.472 1.00 0.00 C ATOM 113 C ARG A 12 -11.737 -6.754 4.100 1.00 0.00 C ATOM 114 O ARG A 12 -10.729 -7.047 4.743 1.00 0.00 O ATOM 115 CB ARG A 12 -13.641 -5.926 5.496 1.00 0.00 C ATOM 116 CG ARG A 12 -14.696 -4.855 5.717 1.00 0.00 C ATOM 117 CD ARG A 12 -16.028 -5.462 6.128 1.00 0.00 C ATOM 118 NE ARG A 12 -16.157 -5.568 7.579 1.00 0.00 N ATOM 119 CZ ARG A 12 -15.699 -6.597 8.284 1.00 0.00 C ATOM 120 NH1 ARG A 12 -15.084 -7.601 7.675 1.00 0.00 N ATOM 121 NH2 ARG A 12 -15.854 -6.621 9.601 1.00 0.00 N ATOM 0 H ARG A 12 -14.210 -5.071 3.244 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.916 -4.783 4.911 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.130 -6.843 5.166 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -13.156 -6.148 6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.357 -4.163 6.488 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.825 -4.276 4.803 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -16.841 -4.851 5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -16.128 -6.451 5.682 1.00 0.00 H new ATOM 0 HE ARG A 12 -16.624 -4.811 8.078 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.961 -7.585 6.663 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.733 -8.390 8.219 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -16.325 -5.849 10.073 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.502 -7.411 10.142 1.00 0.00 H new ATOM 135 N ARG A 13 -12.163 -7.461 3.059 1.00 0.00 N ATOM 136 CA ARG A 13 -11.454 -8.651 2.602 1.00 0.00 C ATOM 137 C ARG A 13 -10.110 -8.279 1.982 1.00 0.00 C ATOM 138 O ARG A 13 -9.218 -9.118 1.858 1.00 0.00 O ATOM 139 CB ARG A 13 -12.302 -9.417 1.585 1.00 0.00 C ATOM 140 CG ARG A 13 -13.699 -9.750 2.085 1.00 0.00 C ATOM 141 CD ARG A 13 -14.603 -10.201 0.949 1.00 0.00 C ATOM 142 NE ARG A 13 -15.838 -10.807 1.440 1.00 0.00 N ATOM 143 CZ ARG A 13 -16.581 -11.645 0.726 1.00 0.00 C ATOM 144 NH1 ARG A 13 -16.215 -11.975 -0.505 1.00 0.00 N ATOM 145 NH2 ARG A 13 -17.692 -12.155 1.242 1.00 0.00 N ATOM 0 H ARG A 13 -12.995 -7.231 2.516 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.272 -9.289 3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.383 -8.826 0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.790 -10.342 1.321 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.640 -10.536 2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -14.131 -8.875 2.570 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -14.845 -9.346 0.317 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.070 -10.918 0.325 1.00 0.00 H new ATOM 0 HE ARG A 13 -16.147 -10.574 2.384 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.362 -11.585 -0.905 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.787 -12.619 -1.052 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -17.977 -11.904 2.189 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -18.261 -12.798 0.692 1.00 0.00 H new ATOM 159 N LEU A 14 -9.973 -7.015 1.595 1.00 0.00 N ATOM 160 CA LEU A 14 -8.739 -6.531 0.987 1.00 0.00 C ATOM 161 C LEU A 14 -7.579 -6.608 1.975 1.00 0.00 C ATOM 162 O LEU A 14 -7.759 -6.411 3.177 1.00 0.00 O ATOM 163 CB LEU A 14 -8.916 -5.091 0.502 1.00 0.00 C ATOM 164 CG LEU A 14 -10.112 -4.834 -0.415 1.00 0.00 C ATOM 165 CD1 LEU A 14 -10.304 -3.342 -0.638 1.00 0.00 C ATOM 166 CD2 LEU A 14 -9.930 -5.555 -1.743 1.00 0.00 C ATOM 0 H LEU A 14 -10.701 -6.307 1.692 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.509 -7.169 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.007 -4.444 1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.009 -4.792 -0.024 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.007 -5.225 0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.160 -3.179 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.481 -2.851 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.409 -2.925 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.791 -5.361 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.025 -5.194 -2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.844 -6.627 -1.566 1.00 0.00 H new ATOM 178 N THR A 15 -6.387 -6.893 1.459 1.00 0.00 N ATOM 179 CA THR A 15 -5.198 -6.994 2.295 1.00 0.00 C ATOM 180 C THR A 15 -3.929 -6.812 1.470 1.00 0.00 C ATOM 181 O THR A 15 -3.975 -6.777 0.240 1.00 0.00 O ATOM 182 CB THR A 15 -5.134 -8.352 3.020 1.00 0.00 C ATOM 183 OG1 THR A 15 -5.255 -9.419 2.072 1.00 0.00 O ATOM 184 CG2 THR A 15 -6.239 -8.463 4.060 1.00 0.00 C ATOM 0 H THR A 15 -6.220 -7.058 0.466 1.00 0.00 H new ATOM 0 HA THR A 15 -5.265 -6.197 3.036 1.00 0.00 H new ATOM 0 HB THR A 15 -4.172 -8.424 3.527 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.212 -10.279 2.540 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.174 -9.430 4.559 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.127 -7.667 4.796 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.209 -8.372 3.571 1.00 0.00 H new ATOM 192 N VAL A 16 -2.795 -6.696 2.154 1.00 0.00 N ATOM 193 CA VAL A 16 -1.512 -6.519 1.484 1.00 0.00 C ATOM 194 C VAL A 16 -0.400 -7.254 2.224 1.00 0.00 C ATOM 195 O VAL A 16 -0.354 -7.258 3.454 1.00 0.00 O ATOM 196 CB VAL A 16 -1.140 -5.029 1.369 1.00 0.00 C ATOM 197 CG1 VAL A 16 0.216 -4.867 0.700 1.00 0.00 C ATOM 198 CG2 VAL A 16 -2.215 -4.269 0.605 1.00 0.00 C ATOM 0 H VAL A 16 -2.739 -6.721 3.172 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.617 -6.938 0.483 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.075 -4.610 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.462 -3.808 0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.977 -5.376 1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.183 -5.301 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.936 -3.218 0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.314 -4.687 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.166 -4.357 1.131 1.00 0.00 H new ATOM 208 N THR A 17 0.498 -7.875 1.465 1.00 0.00 N ATOM 209 CA THR A 17 1.611 -8.613 2.048 1.00 0.00 C ATOM 210 C THR A 17 2.942 -8.150 1.467 1.00 0.00 C ATOM 211 O THR A 17 3.776 -7.586 2.175 1.00 0.00 O ATOM 212 CB THR A 17 1.462 -10.129 1.815 1.00 0.00 C ATOM 213 OG1 THR A 17 0.182 -10.572 2.279 1.00 0.00 O ATOM 214 CG2 THR A 17 2.561 -10.897 2.535 1.00 0.00 C ATOM 0 H THR A 17 0.476 -7.881 0.445 1.00 0.00 H new ATOM 0 HA THR A 17 1.596 -8.414 3.120 1.00 0.00 H new ATOM 0 HB THR A 17 1.547 -10.320 0.745 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.094 -11.536 2.126 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.436 -11.965 2.356 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.533 -10.578 2.160 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.502 -10.699 3.605 1.00 0.00 H new ATOM 222 N SER A 18 3.135 -8.392 0.174 1.00 0.00 N ATOM 223 CA SER A 18 4.367 -8.001 -0.501 1.00 0.00 C ATOM 224 C SER A 18 4.911 -6.697 0.073 1.00 0.00 C ATOM 225 O SER A 18 6.124 -6.517 0.196 1.00 0.00 O ATOM 226 CB SER A 18 4.124 -7.849 -2.004 1.00 0.00 C ATOM 227 OG SER A 18 4.092 -9.111 -2.646 1.00 0.00 O ATOM 0 H SER A 18 2.454 -8.857 -0.427 1.00 0.00 H new ATOM 0 HA SER A 18 5.106 -8.785 -0.338 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.181 -7.328 -2.172 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.910 -7.235 -2.442 1.00 0.00 H new ATOM 0 HG SER A 18 3.934 -8.986 -3.605 1.00 0.00 H new ATOM 233 N LEU A 19 4.007 -5.789 0.422 1.00 0.00 N ATOM 234 CA LEU A 19 4.394 -4.499 0.984 1.00 0.00 C ATOM 235 C LEU A 19 5.347 -4.682 2.161 1.00 0.00 C ATOM 236 O LEU A 19 5.138 -5.547 3.011 1.00 0.00 O ATOM 237 CB LEU A 19 3.155 -3.723 1.431 1.00 0.00 C ATOM 238 CG LEU A 19 3.415 -2.462 2.257 1.00 0.00 C ATOM 239 CD1 LEU A 19 3.748 -1.288 1.348 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.211 -2.138 3.129 1.00 0.00 C ATOM 0 H LEU A 19 3.000 -5.922 0.326 1.00 0.00 H new ATOM 0 HA LEU A 19 4.909 -3.932 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.587 -3.442 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.523 -4.392 2.015 1.00 0.00 H new ATOM 0 HG LEU A 19 4.270 -2.646 2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.930 -0.400 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.640 -1.520 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.913 -1.102 0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.414 -1.238 3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.338 -1.973 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.017 -2.970 3.806 1.00 0.00 H new ATOM 252 N GLN A 20 6.390 -3.860 2.204 1.00 0.00 N ATOM 253 CA GLN A 20 7.374 -3.931 3.279 1.00 0.00 C ATOM 254 C GLN A 20 7.075 -2.896 4.358 1.00 0.00 C ATOM 255 O GLN A 20 7.402 -1.719 4.209 1.00 0.00 O ATOM 256 CB GLN A 20 8.783 -3.715 2.724 1.00 0.00 C ATOM 257 CG GLN A 20 9.880 -4.273 3.617 1.00 0.00 C ATOM 258 CD GLN A 20 10.224 -5.712 3.288 1.00 0.00 C ATOM 259 OE1 GLN A 20 9.267 -6.435 2.719 1.00 0.00 O flip ATOM 260 NE2 GLN A 20 11.339 -6.169 3.543 1.00 0.00 N flip ATOM 0 H GLN A 20 6.576 -3.138 1.508 1.00 0.00 H new ATOM 0 HA GLN A 20 7.316 -4.923 3.727 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.853 -4.182 1.741 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.949 -2.647 2.582 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.774 -3.657 3.516 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.564 -4.208 4.658 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.045 -5.577 3.981 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.557 -7.139 3.316 1.00 0.00 H new ATOM 269 N GLU A 21 6.453 -3.343 5.445 1.00 0.00 N ATOM 270 CA GLU A 21 6.110 -2.454 6.548 1.00 0.00 C ATOM 271 C GLU A 21 7.272 -1.520 6.876 1.00 0.00 C ATOM 272 O GLU A 21 7.091 -0.310 7.017 1.00 0.00 O ATOM 273 CB GLU A 21 5.730 -3.267 7.788 1.00 0.00 C ATOM 274 CG GLU A 21 4.284 -3.735 7.788 1.00 0.00 C ATOM 275 CD GLU A 21 3.909 -4.469 9.061 1.00 0.00 C ATOM 276 OE1 GLU A 21 4.758 -5.218 9.587 1.00 0.00 O ATOM 277 OE2 GLU A 21 2.766 -4.293 9.532 1.00 0.00 O ATOM 0 H GLU A 21 6.177 -4.315 5.585 1.00 0.00 H new ATOM 0 HA GLU A 21 5.256 -1.850 6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.385 -4.136 7.857 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.908 -2.662 8.677 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.627 -2.874 7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.118 -4.390 6.933 1.00 0.00 H new ATOM 284 N THR A 22 8.467 -2.091 6.997 1.00 0.00 N ATOM 285 CA THR A 22 9.658 -1.312 7.309 1.00 0.00 C ATOM 286 C THR A 22 10.894 -1.906 6.644 1.00 0.00 C ATOM 287 O THR A 22 11.110 -3.117 6.681 1.00 0.00 O ATOM 288 CB THR A 22 9.895 -1.234 8.829 1.00 0.00 C ATOM 289 OG1 THR A 22 10.362 -2.496 9.318 1.00 0.00 O ATOM 290 CG2 THR A 22 8.617 -0.843 9.557 1.00 0.00 C ATOM 0 H THR A 22 8.635 -3.091 6.883 1.00 0.00 H new ATOM 0 HA THR A 22 9.489 -0.307 6.922 1.00 0.00 H new ATOM 0 HB THR A 22 10.650 -0.471 9.018 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.512 -2.437 10.285 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.809 -0.794 10.629 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.281 0.132 9.204 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.844 -1.586 9.360 1.00 0.00 H new ATOM 298 N GLY A 23 11.704 -1.046 6.034 1.00 0.00 N ATOM 299 CA GLY A 23 12.909 -1.505 5.369 1.00 0.00 C ATOM 300 C GLY A 23 13.079 -0.896 3.992 1.00 0.00 C ATOM 301 O GLY A 23 14.129 -1.045 3.364 1.00 0.00 O ATOM 0 H GLY A 23 11.547 -0.039 5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.775 -1.257 5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.881 -2.591 5.282 1.00 0.00 H new ATOM 305 N LEU A 24 12.046 -0.209 3.519 1.00 0.00 N ATOM 306 CA LEU A 24 12.085 0.425 2.205 1.00 0.00 C ATOM 307 C LEU A 24 13.058 1.599 2.195 1.00 0.00 C ATOM 308 O LEU A 24 12.953 2.514 3.012 1.00 0.00 O ATOM 309 CB LEU A 24 10.687 0.903 1.806 1.00 0.00 C ATOM 310 CG LEU A 24 9.608 -0.177 1.718 1.00 0.00 C ATOM 311 CD1 LEU A 24 8.303 0.413 1.208 1.00 0.00 C ATOM 312 CD2 LEU A 24 10.067 -1.317 0.820 1.00 0.00 C ATOM 0 H LEU A 24 11.170 -0.076 4.025 1.00 0.00 H new ATOM 0 HA LEU A 24 12.430 -0.315 1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.363 1.655 2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.757 1.398 0.838 1.00 0.00 H new ATOM 0 HG LEU A 24 9.437 -0.575 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.547 -0.370 1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.966 1.194 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.459 0.838 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.287 -2.077 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.267 -0.934 -0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.977 -1.758 1.228 1.00 0.00 H new ATOM 324 N LYS A 25 14.006 1.567 1.264 1.00 0.00 N ATOM 325 CA LYS A 25 14.997 2.629 1.144 1.00 0.00 C ATOM 326 C LYS A 25 14.437 3.810 0.357 1.00 0.00 C ATOM 327 O LYS A 25 13.454 3.673 -0.371 1.00 0.00 O ATOM 328 CB LYS A 25 16.261 2.101 0.462 1.00 0.00 C ATOM 329 CG LYS A 25 16.857 0.883 1.146 1.00 0.00 C ATOM 330 CD LYS A 25 17.758 0.101 0.205 1.00 0.00 C ATOM 331 CE LYS A 25 19.197 0.589 0.276 1.00 0.00 C ATOM 332 NZ LYS A 25 19.954 -0.072 1.375 1.00 0.00 N ATOM 0 H LYS A 25 14.108 0.816 0.581 1.00 0.00 H new ATOM 0 HA LYS A 25 15.249 2.971 2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.027 1.849 -0.572 1.00 0.00 H new ATOM 0 HB3 LYS A 25 17.008 2.894 0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.428 1.198 2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.055 0.237 1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.719 -0.958 0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.390 0.197 -0.816 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.694 0.395 -0.675 1.00 0.00 H new ATOM 0 HE3 LYS A 25 19.207 1.669 0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.930 0.288 1.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.495 0.134 2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.966 -1.100 1.218 1.00 0.00 H new ATOM 346 N VAL A 26 15.070 4.969 0.506 1.00 0.00 N ATOM 347 CA VAL A 26 14.637 6.172 -0.194 1.00 0.00 C ATOM 348 C VAL A 26 15.086 6.153 -1.650 1.00 0.00 C ATOM 349 O VAL A 26 16.093 5.535 -1.992 1.00 0.00 O ATOM 350 CB VAL A 26 15.184 7.443 0.484 1.00 0.00 C ATOM 351 CG1 VAL A 26 14.553 8.686 -0.124 1.00 0.00 C ATOM 352 CG2 VAL A 26 14.942 7.392 1.985 1.00 0.00 C ATOM 0 H VAL A 26 15.885 5.100 1.105 1.00 0.00 H new ATOM 0 HA VAL A 26 13.548 6.187 -0.153 1.00 0.00 H new ATOM 0 HB VAL A 26 16.260 7.491 0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 26 14.951 9.574 0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 26 14.782 8.727 -1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 26 13.472 8.650 0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.335 8.297 2.448 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.872 7.320 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.446 6.522 2.405 1.00 0.00 H new ATOM 362 N ASN A 27 14.331 6.835 -2.506 1.00 0.00 N ATOM 363 CA ASN A 27 14.651 6.897 -3.927 1.00 0.00 C ATOM 364 C ASN A 27 14.617 5.506 -4.553 1.00 0.00 C ATOM 365 O ASN A 27 15.319 5.236 -5.527 1.00 0.00 O ATOM 366 CB ASN A 27 16.029 7.528 -4.134 1.00 0.00 C ATOM 367 CG ASN A 27 16.045 9.006 -3.795 1.00 0.00 C ATOM 368 OD1 ASN A 27 14.995 9.638 -3.676 1.00 0.00 O ATOM 369 ND2 ASN A 27 17.240 9.564 -3.638 1.00 0.00 N ATOM 0 H ASN A 27 13.493 7.352 -2.240 1.00 0.00 H new ATOM 0 HA ASN A 27 13.899 7.515 -4.417 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.760 7.008 -3.515 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.335 7.393 -5.171 1.00 0.00 H new ATOM 0 HD21 ASN A 27 17.314 10.555 -3.409 1.00 0.00 H new ATOM 0 HD22 ASN A 27 18.084 9.001 -3.746 1.00 0.00 H new ATOM 376 N GLN A 28 13.796 4.628 -3.986 1.00 0.00 N ATOM 377 CA GLN A 28 13.671 3.265 -4.489 1.00 0.00 C ATOM 378 C GLN A 28 12.244 2.981 -4.943 1.00 0.00 C ATOM 379 O GLN A 28 11.271 3.342 -4.279 1.00 0.00 O ATOM 380 CB GLN A 28 14.085 2.261 -3.411 1.00 0.00 C ATOM 381 CG GLN A 28 15.573 1.949 -3.409 1.00 0.00 C ATOM 382 CD GLN A 28 15.993 1.105 -4.596 1.00 0.00 C ATOM 383 OE1 GLN A 28 15.911 -0.123 -4.560 1.00 0.00 O ATOM 384 NE2 GLN A 28 16.447 1.761 -5.658 1.00 0.00 N ATOM 0 H GLN A 28 13.208 4.836 -3.179 1.00 0.00 H new ATOM 0 HA GLN A 28 14.334 3.160 -5.348 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.803 2.653 -2.434 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.528 1.335 -3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 28 16.136 2.882 -3.414 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.830 1.427 -2.487 1.00 0.00 H new ATOM 0 HE21 GLN A 28 16.498 2.780 -5.645 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.745 1.246 -6.487 1.00 0.00 H new ATOM 393 N PRO A 29 12.111 2.319 -6.103 1.00 0.00 N ATOM 394 CA PRO A 29 10.806 1.972 -6.672 1.00 0.00 C ATOM 395 C PRO A 29 10.088 0.897 -5.863 1.00 0.00 C ATOM 396 O PRO A 29 10.229 -0.295 -6.136 1.00 0.00 O ATOM 397 CB PRO A 29 11.155 1.449 -8.067 1.00 0.00 C ATOM 398 CG PRO A 29 12.557 0.959 -7.948 1.00 0.00 C ATOM 399 CD PRO A 29 13.227 1.859 -6.947 1.00 0.00 C ATOM 0 HA PRO A 29 10.125 2.823 -6.679 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.480 0.648 -8.370 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.073 2.236 -8.817 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.581 -0.079 -7.617 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.067 0.998 -8.911 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.978 1.324 -6.365 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.734 2.693 -7.432 1.00 0.00 H new ATOM 407 N ALA A 30 9.319 1.325 -4.868 1.00 0.00 N ATOM 408 CA ALA A 30 8.578 0.399 -4.022 1.00 0.00 C ATOM 409 C ALA A 30 7.240 0.030 -4.653 1.00 0.00 C ATOM 410 O ALA A 30 6.524 0.892 -5.162 1.00 0.00 O ATOM 411 CB ALA A 30 8.364 1.001 -2.641 1.00 0.00 C ATOM 0 H ALA A 30 9.193 2.308 -4.628 1.00 0.00 H new ATOM 0 HA ALA A 30 9.167 -0.513 -3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.809 0.298 -2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.330 1.208 -2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.799 1.929 -2.732 1.00 0.00 H new ATOM 417 N SER A 31 6.908 -1.257 -4.616 1.00 0.00 N ATOM 418 CA SER A 31 5.657 -1.741 -5.189 1.00 0.00 C ATOM 419 C SER A 31 5.187 -3.005 -4.477 1.00 0.00 C ATOM 420 O SER A 31 5.996 -3.785 -3.972 1.00 0.00 O ATOM 421 CB SER A 31 5.829 -2.017 -6.683 1.00 0.00 C ATOM 422 OG SER A 31 7.073 -2.644 -6.946 1.00 0.00 O ATOM 0 H SER A 31 7.488 -1.983 -4.195 1.00 0.00 H new ATOM 0 HA SER A 31 4.901 -0.967 -5.055 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.016 -2.653 -7.035 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.765 -1.081 -7.239 1.00 0.00 H new ATOM 0 HG SER A 31 7.158 -2.811 -7.908 1.00 0.00 H new ATOM 428 N PHE A 32 3.873 -3.203 -4.440 1.00 0.00 N ATOM 429 CA PHE A 32 3.294 -4.372 -3.789 1.00 0.00 C ATOM 430 C PHE A 32 1.980 -4.770 -4.456 1.00 0.00 C ATOM 431 O PHE A 32 1.502 -4.091 -5.364 1.00 0.00 O ATOM 432 CB PHE A 32 3.060 -4.091 -2.304 1.00 0.00 C ATOM 433 CG PHE A 32 2.731 -2.656 -2.009 1.00 0.00 C ATOM 434 CD1 PHE A 32 3.720 -1.686 -2.034 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.433 -2.276 -1.709 1.00 0.00 C ATOM 436 CE1 PHE A 32 3.421 -0.364 -1.762 1.00 0.00 C ATOM 437 CE2 PHE A 32 1.127 -0.955 -1.437 1.00 0.00 C ATOM 438 CZ PHE A 32 2.122 0.002 -1.465 1.00 0.00 C ATOM 0 H PHE A 32 3.189 -2.569 -4.853 1.00 0.00 H new ATOM 0 HA PHE A 32 3.997 -5.199 -3.889 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.246 -4.722 -1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.952 -4.373 -1.744 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.736 -1.966 -2.269 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.651 -3.020 -1.687 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.202 0.382 -1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.111 -0.672 -1.203 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.885 1.035 -1.255 1.00 0.00 H new ATOM 448 N ALA A 33 1.403 -5.877 -4.000 1.00 0.00 N ATOM 449 CA ALA A 33 0.145 -6.366 -4.550 1.00 0.00 C ATOM 450 C ALA A 33 -0.956 -6.355 -3.496 1.00 0.00 C ATOM 451 O ALA A 33 -0.727 -6.714 -2.340 1.00 0.00 O ATOM 452 CB ALA A 33 0.325 -7.767 -5.114 1.00 0.00 C ATOM 0 H ALA A 33 1.787 -6.452 -3.251 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.155 -5.697 -5.357 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.622 -8.120 -5.521 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.075 -7.747 -5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.652 -8.439 -4.321 1.00 0.00 H new ATOM 458 N VAL A 34 -2.153 -5.941 -3.900 1.00 0.00 N ATOM 459 CA VAL A 34 -3.290 -5.884 -2.990 1.00 0.00 C ATOM 460 C VAL A 34 -4.307 -6.974 -3.313 1.00 0.00 C ATOM 461 O VAL A 34 -4.991 -6.915 -4.333 1.00 0.00 O ATOM 462 CB VAL A 34 -3.988 -4.513 -3.049 1.00 0.00 C ATOM 463 CG1 VAL A 34 -5.218 -4.500 -2.153 1.00 0.00 C ATOM 464 CG2 VAL A 34 -3.021 -3.406 -2.657 1.00 0.00 C ATOM 0 H VAL A 34 -2.360 -5.640 -4.852 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.899 -6.041 -1.985 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.313 -4.334 -4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.698 -3.523 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.918 -5.267 -2.485 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.921 -4.701 -1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.531 -2.444 -2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.664 -3.578 -1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.175 -3.402 -3.344 1.00 0.00 H new ATOM 474 N GLN A 35 -4.400 -7.967 -2.434 1.00 0.00 N ATOM 475 CA GLN A 35 -5.333 -9.071 -2.626 1.00 0.00 C ATOM 476 C GLN A 35 -6.761 -8.638 -2.309 1.00 0.00 C ATOM 477 O GLN A 35 -7.000 -7.913 -1.342 1.00 0.00 O ATOM 478 CB GLN A 35 -4.940 -10.258 -1.745 1.00 0.00 C ATOM 479 CG GLN A 35 -5.621 -11.559 -2.138 1.00 0.00 C ATOM 480 CD GLN A 35 -4.903 -12.780 -1.599 1.00 0.00 C ATOM 481 OE1 GLN A 35 -3.821 -13.172 -2.263 1.00 0.00 O flip ATOM 482 NE2 GLN A 35 -5.314 -13.365 -0.597 1.00 0.00 N flip ATOM 0 H GLN A 35 -3.841 -8.030 -1.583 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.288 -9.374 -3.672 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.860 -10.394 -1.794 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.186 -10.028 -0.708 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.647 -11.553 -1.769 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.673 -11.623 -3.225 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.150 -13.030 -0.117 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.819 -14.185 -0.246 1.00 0.00 H new ATOM 491 N LEU A 36 -7.706 -9.086 -3.128 1.00 0.00 N ATOM 492 CA LEU A 36 -9.111 -8.745 -2.934 1.00 0.00 C ATOM 493 C LEU A 36 -9.788 -9.737 -1.995 1.00 0.00 C ATOM 494 O LEU A 36 -10.576 -9.352 -1.133 1.00 0.00 O ATOM 495 CB LEU A 36 -9.839 -8.719 -4.279 1.00 0.00 C ATOM 496 CG LEU A 36 -9.132 -7.974 -5.412 1.00 0.00 C ATOM 497 CD1 LEU A 36 -9.786 -8.288 -6.748 1.00 0.00 C ATOM 498 CD2 LEU A 36 -9.141 -6.475 -5.151 1.00 0.00 C ATOM 0 H LEU A 36 -7.525 -9.686 -3.933 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.160 -7.755 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.008 -9.748 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.819 -8.266 -4.130 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.096 -8.310 -5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.269 -7.749 -7.542 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.727 -9.359 -6.939 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.832 -7.981 -6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.634 -5.961 -5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.171 -6.123 -5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.625 -6.266 -4.214 1.00 0.00 H new ATOM 510 N ASN A 37 -9.473 -11.017 -2.167 1.00 0.00 N ATOM 511 CA ASN A 37 -10.050 -12.065 -1.334 1.00 0.00 C ATOM 512 C ASN A 37 -11.567 -12.111 -1.490 1.00 0.00 C ATOM 513 O ASN A 37 -12.287 -12.473 -0.560 1.00 0.00 O ATOM 514 CB ASN A 37 -9.684 -11.837 0.134 1.00 0.00 C ATOM 515 CG ASN A 37 -8.192 -11.943 0.382 1.00 0.00 C ATOM 516 OD1 ASN A 37 -7.661 -13.034 0.588 1.00 0.00 O ATOM 517 ND2 ASN A 37 -7.507 -10.805 0.362 1.00 0.00 N ATOM 0 H ASN A 37 -8.821 -11.353 -2.876 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.640 -13.021 -1.660 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.032 -10.851 0.443 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.205 -12.567 0.753 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.500 -10.813 0.521 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.988 -9.923 0.187 1.00 0.00 H new ATOM 524 N GLY A 38 -12.046 -11.743 -2.675 1.00 0.00 N ATOM 525 CA GLY A 38 -13.474 -11.750 -2.932 1.00 0.00 C ATOM 526 C GLY A 38 -14.056 -10.353 -3.010 1.00 0.00 C ATOM 527 O GLY A 38 -15.144 -10.097 -2.496 1.00 0.00 O ATOM 0 H GLY A 38 -11.470 -11.440 -3.461 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.669 -12.274 -3.868 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.979 -12.307 -2.143 1.00 0.00 H new ATOM 531 N ALA A 39 -13.328 -9.445 -3.653 1.00 0.00 N ATOM 532 CA ALA A 39 -13.779 -8.067 -3.796 1.00 0.00 C ATOM 533 C ALA A 39 -13.701 -7.612 -5.249 1.00 0.00 C ATOM 534 O ALA A 39 -12.888 -8.116 -6.025 1.00 0.00 O ATOM 535 CB ALA A 39 -12.954 -7.147 -2.908 1.00 0.00 C ATOM 0 H ALA A 39 -12.424 -9.640 -4.083 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.822 -8.018 -3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.302 -6.121 -3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.064 -7.451 -1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.904 -7.209 -3.195 1.00 0.00 H new ATOM 541 N ARG A 40 -14.552 -6.657 -5.612 1.00 0.00 N ATOM 542 CA ARG A 40 -14.580 -6.136 -6.973 1.00 0.00 C ATOM 543 C ARG A 40 -14.844 -4.633 -6.975 1.00 0.00 C ATOM 544 O ARG A 40 -15.907 -4.179 -6.552 1.00 0.00 O ATOM 545 CB ARG A 40 -15.653 -6.854 -7.795 1.00 0.00 C ATOM 546 CG ARG A 40 -15.408 -8.346 -7.945 1.00 0.00 C ATOM 547 CD ARG A 40 -14.432 -8.640 -9.074 1.00 0.00 C ATOM 548 NE ARG A 40 -15.082 -8.603 -10.382 1.00 0.00 N ATOM 549 CZ ARG A 40 -15.849 -9.582 -10.849 1.00 0.00 C ATOM 550 NH1 ARG A 40 -16.061 -10.669 -10.119 1.00 0.00 N ATOM 551 NH2 ARG A 40 -16.405 -9.475 -12.049 1.00 0.00 N ATOM 0 H ARG A 40 -15.231 -6.229 -4.982 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.604 -6.317 -7.424 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.624 -6.699 -7.324 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.704 -6.401 -8.785 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.016 -8.747 -7.010 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.353 -8.853 -8.138 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.621 -7.912 -9.051 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.984 -9.621 -8.919 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.939 -7.781 -10.968 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -15.635 -10.755 -9.196 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.650 -11.419 -10.480 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.244 -8.641 -12.613 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -16.994 -10.227 -12.407 1.00 0.00 H new ATOM 565 N GLY A 41 -13.869 -3.866 -7.453 1.00 0.00 N ATOM 566 CA GLY A 41 -14.015 -2.423 -7.499 1.00 0.00 C ATOM 567 C GLY A 41 -12.815 -1.739 -8.122 1.00 0.00 C ATOM 568 O GLY A 41 -12.288 -2.194 -9.137 1.00 0.00 O ATOM 0 H GLY A 41 -12.981 -4.218 -7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -14.910 -2.169 -8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -14.162 -2.043 -6.488 1.00 0.00 H new ATOM 572 N VAL A 42 -12.380 -0.640 -7.513 1.00 0.00 N ATOM 573 CA VAL A 42 -11.234 0.109 -8.013 1.00 0.00 C ATOM 574 C VAL A 42 -10.296 0.503 -6.878 1.00 0.00 C ATOM 575 O VAL A 42 -10.690 1.214 -5.953 1.00 0.00 O ATOM 576 CB VAL A 42 -11.678 1.380 -8.762 1.00 0.00 C ATOM 577 CG1 VAL A 42 -10.468 2.168 -9.242 1.00 0.00 C ATOM 578 CG2 VAL A 42 -12.588 1.021 -9.927 1.00 0.00 C ATOM 0 H VAL A 42 -12.805 -0.249 -6.672 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.706 -0.547 -8.705 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.240 2.009 -8.072 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.802 3.062 -9.769 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.859 2.457 -8.385 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.875 1.550 -9.916 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -12.892 1.931 -10.445 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -12.053 0.371 -10.619 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.472 0.504 -9.553 1.00 0.00 H new ATOM 588 N ILE A 43 -9.054 0.037 -6.955 1.00 0.00 N ATOM 589 CA ILE A 43 -8.060 0.342 -5.934 1.00 0.00 C ATOM 590 C ILE A 43 -7.327 1.642 -6.251 1.00 0.00 C ATOM 591 O ILE A 43 -6.609 1.735 -7.247 1.00 0.00 O ATOM 592 CB ILE A 43 -7.029 -0.794 -5.795 1.00 0.00 C ATOM 593 CG1 ILE A 43 -7.730 -2.108 -5.446 1.00 0.00 C ATOM 594 CG2 ILE A 43 -5.993 -0.443 -4.737 1.00 0.00 C ATOM 595 CD1 ILE A 43 -8.302 -2.135 -4.046 1.00 0.00 C ATOM 0 H ILE A 43 -8.712 -0.553 -7.714 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.598 0.451 -4.992 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.517 -0.919 -6.749 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.534 -2.283 -6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.021 -2.929 -5.556 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.272 -1.256 -4.651 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.476 0.473 -5.024 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.489 -0.294 -3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.784 -3.096 -3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.500 -1.992 -3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.035 -1.336 -3.937 1.00 0.00 H new ATOM 607 N ASP A 44 -7.512 2.642 -5.397 1.00 0.00 N ATOM 608 CA ASP A 44 -6.867 3.936 -5.584 1.00 0.00 C ATOM 609 C ASP A 44 -5.692 4.101 -4.625 1.00 0.00 C ATOM 610 O ASP A 44 -5.859 4.047 -3.407 1.00 0.00 O ATOM 611 CB ASP A 44 -7.875 5.068 -5.374 1.00 0.00 C ATOM 612 CG ASP A 44 -8.672 5.372 -6.628 1.00 0.00 C ATOM 613 OD1 ASP A 44 -8.086 5.325 -7.729 1.00 0.00 O ATOM 614 OD2 ASP A 44 -9.881 5.659 -6.507 1.00 0.00 O ATOM 0 H ASP A 44 -8.103 2.581 -4.568 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.489 3.981 -6.605 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.558 4.798 -4.569 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.347 5.967 -5.056 1.00 0.00 H new ATOM 619 N ALA A 45 -4.503 4.302 -5.184 1.00 0.00 N ATOM 620 CA ALA A 45 -3.300 4.475 -4.379 1.00 0.00 C ATOM 621 C ALA A 45 -2.808 5.918 -4.430 1.00 0.00 C ATOM 622 O ALA A 45 -2.708 6.511 -5.505 1.00 0.00 O ATOM 623 CB ALA A 45 -2.208 3.526 -4.849 1.00 0.00 C ATOM 0 H ALA A 45 -4.347 4.349 -6.191 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.549 4.240 -3.344 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.316 3.667 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.554 2.497 -4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.970 3.733 -5.892 1.00 0.00 H new ATOM 629 N ARG A 46 -2.503 6.476 -3.264 1.00 0.00 N ATOM 630 CA ARG A 46 -2.023 7.850 -3.177 1.00 0.00 C ATOM 631 C ARG A 46 -1.132 8.038 -1.953 1.00 0.00 C ATOM 632 O ARG A 46 -1.564 7.830 -0.819 1.00 0.00 O ATOM 633 CB ARG A 46 -3.203 8.822 -3.116 1.00 0.00 C ATOM 634 CG ARG A 46 -3.953 8.952 -4.432 1.00 0.00 C ATOM 635 CD ARG A 46 -4.657 10.295 -4.542 1.00 0.00 C ATOM 636 NE ARG A 46 -5.965 10.283 -3.892 1.00 0.00 N ATOM 637 CZ ARG A 46 -6.863 11.252 -4.029 1.00 0.00 C ATOM 638 NH1 ARG A 46 -6.596 12.305 -4.789 1.00 0.00 N ATOM 639 NH2 ARG A 46 -8.031 11.168 -3.406 1.00 0.00 N ATOM 0 H ARG A 46 -2.580 5.998 -2.366 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.434 8.060 -4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.897 8.490 -2.343 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.838 9.805 -2.817 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.256 8.836 -5.262 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.685 8.149 -4.516 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.035 11.068 -4.091 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.777 10.556 -5.593 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.202 9.487 -3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.699 12.372 -5.270 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.287 13.048 -4.893 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.240 10.359 -2.821 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.720 11.913 -3.512 1.00 0.00 H new ATOM 653 N VAL A 47 0.115 8.433 -2.190 1.00 0.00 N ATOM 654 CA VAL A 47 1.067 8.650 -1.107 1.00 0.00 C ATOM 655 C VAL A 47 1.169 10.129 -0.752 1.00 0.00 C ATOM 656 O VAL A 47 1.041 10.996 -1.617 1.00 0.00 O ATOM 657 CB VAL A 47 2.467 8.125 -1.477 1.00 0.00 C ATOM 658 CG1 VAL A 47 2.508 6.607 -1.390 1.00 0.00 C ATOM 659 CG2 VAL A 47 2.863 8.598 -2.867 1.00 0.00 C ATOM 0 H VAL A 47 0.489 8.609 -3.122 1.00 0.00 H new ATOM 0 HA VAL A 47 0.695 8.097 -0.244 1.00 0.00 H new ATOM 0 HB VAL A 47 3.187 8.526 -0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.505 6.254 -1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.271 6.294 -0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.778 6.183 -2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.855 8.218 -3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.142 8.228 -3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.876 9.688 -2.891 1.00 0.00 H new ATOM 669 N HIS A 48 1.400 10.411 0.526 1.00 0.00 N ATOM 670 CA HIS A 48 1.520 11.787 0.996 1.00 0.00 C ATOM 671 C HIS A 48 2.925 12.060 1.523 1.00 0.00 C ATOM 672 O HIS A 48 3.434 11.329 2.375 1.00 0.00 O ATOM 673 CB HIS A 48 0.489 12.066 2.089 1.00 0.00 C ATOM 674 CG HIS A 48 -0.926 12.037 1.600 1.00 0.00 C ATOM 675 ND1 HIS A 48 -1.590 13.159 1.148 1.00 0.00 N ATOM 676 CD2 HIS A 48 -1.804 11.013 1.490 1.00 0.00 C ATOM 677 CE1 HIS A 48 -2.815 12.826 0.784 1.00 0.00 C ATOM 678 NE2 HIS A 48 -2.971 11.529 0.981 1.00 0.00 N ATOM 0 H HIS A 48 1.508 9.706 1.255 1.00 0.00 H new ATOM 0 HA HIS A 48 1.332 12.451 0.152 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.605 11.329 2.883 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.693 13.042 2.528 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.621 9.982 1.753 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.562 13.500 0.392 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.820 10.997 0.787 1.00 0.00 H new ATOM 687 N THR A 49 3.550 13.117 1.012 1.00 0.00 N ATOM 688 CA THR A 49 4.896 13.485 1.430 1.00 0.00 C ATOM 689 C THR A 49 4.867 14.316 2.708 1.00 0.00 C ATOM 690 O THR A 49 3.926 15.066 2.968 1.00 0.00 O ATOM 691 CB THR A 49 5.628 14.279 0.331 1.00 0.00 C ATOM 692 OG1 THR A 49 5.054 15.585 0.206 1.00 0.00 O ATOM 693 CG2 THR A 49 5.548 13.554 -1.004 1.00 0.00 C ATOM 0 H THR A 49 3.144 13.733 0.308 1.00 0.00 H new ATOM 0 HA THR A 49 5.434 12.556 1.616 1.00 0.00 H new ATOM 0 HB THR A 49 6.676 14.369 0.615 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.731 16.261 0.417 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.072 14.133 -1.765 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.012 12.572 -0.913 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.503 13.437 -1.292 1.00 0.00 H new ATOM 701 N PRO A 50 5.923 14.183 3.525 1.00 0.00 N ATOM 702 CA PRO A 50 6.042 14.915 4.789 1.00 0.00 C ATOM 703 C PRO A 50 6.272 16.408 4.575 1.00 0.00 C ATOM 704 O PRO A 50 6.319 17.182 5.531 1.00 0.00 O ATOM 705 CB PRO A 50 7.263 14.276 5.455 1.00 0.00 C ATOM 706 CG PRO A 50 8.070 13.734 4.327 1.00 0.00 C ATOM 707 CD PRO A 50 7.080 13.307 3.278 1.00 0.00 C ATOM 0 HA PRO A 50 5.132 14.850 5.385 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.829 15.009 6.030 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.969 13.486 6.146 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.751 14.490 3.936 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.681 12.892 4.653 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.478 13.441 2.272 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.816 12.254 3.379 1.00 0.00 H new ATOM 715 N SER A 51 6.414 16.805 3.315 1.00 0.00 N ATOM 716 CA SER A 51 6.643 18.205 2.975 1.00 0.00 C ATOM 717 C SER A 51 5.320 18.941 2.786 1.00 0.00 C ATOM 718 O SER A 51 5.272 20.170 2.803 1.00 0.00 O ATOM 719 CB SER A 51 7.486 18.312 1.704 1.00 0.00 C ATOM 720 OG SER A 51 7.194 17.255 0.807 1.00 0.00 O ATOM 0 H SER A 51 6.375 16.177 2.512 1.00 0.00 H new ATOM 0 HA SER A 51 7.183 18.670 3.800 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.296 19.269 1.218 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.545 18.291 1.963 1.00 0.00 H new ATOM 0 HG SER A 51 7.745 17.347 0.002 1.00 0.00 H new ATOM 726 N GLY A 52 4.246 18.178 2.603 1.00 0.00 N ATOM 727 CA GLY A 52 2.937 18.773 2.412 1.00 0.00 C ATOM 728 C GLY A 52 2.511 18.784 0.957 1.00 0.00 C ATOM 729 O GLY A 52 1.790 19.680 0.521 1.00 0.00 O ATOM 0 H GLY A 52 4.260 17.158 2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.202 18.222 2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.947 19.795 2.792 1.00 0.00 H new ATOM 733 N ALA A 53 2.960 17.785 0.204 1.00 0.00 N ATOM 734 CA ALA A 53 2.620 17.682 -1.210 1.00 0.00 C ATOM 735 C ALA A 53 1.990 16.330 -1.527 1.00 0.00 C ATOM 736 O ALA A 53 2.553 15.282 -1.211 1.00 0.00 O ATOM 737 CB ALA A 53 3.858 17.903 -2.067 1.00 0.00 C ATOM 0 H ALA A 53 3.560 17.036 0.549 1.00 0.00 H new ATOM 0 HA ALA A 53 1.888 18.457 -1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.590 17.823 -3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.265 18.895 -1.870 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.607 17.149 -1.825 1.00 0.00 H new ATOM 743 N VAL A 54 0.817 16.361 -2.152 1.00 0.00 N ATOM 744 CA VAL A 54 0.110 15.138 -2.512 1.00 0.00 C ATOM 745 C VAL A 54 0.690 14.521 -3.779 1.00 0.00 C ATOM 746 O VAL A 54 0.527 15.060 -4.874 1.00 0.00 O ATOM 747 CB VAL A 54 -1.393 15.400 -2.722 1.00 0.00 C ATOM 748 CG1 VAL A 54 -2.106 14.120 -3.132 1.00 0.00 C ATOM 749 CG2 VAL A 54 -2.013 15.985 -1.462 1.00 0.00 C ATOM 0 H VAL A 54 0.336 17.220 -2.419 1.00 0.00 H new ATOM 0 HA VAL A 54 0.237 14.443 -1.682 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.509 16.126 -3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.167 14.325 -3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.679 13.748 -4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.984 13.369 -2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.075 16.164 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.888 15.285 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.521 16.926 -1.217 1.00 0.00 H new ATOM 759 N GLU A 55 1.367 13.387 -3.623 1.00 0.00 N ATOM 760 CA GLU A 55 1.971 12.697 -4.757 1.00 0.00 C ATOM 761 C GLU A 55 0.990 11.705 -5.375 1.00 0.00 C ATOM 762 O GLU A 55 -0.027 11.366 -4.773 1.00 0.00 O ATOM 763 CB GLU A 55 3.243 11.968 -4.319 1.00 0.00 C ATOM 764 CG GLU A 55 4.480 12.851 -4.317 1.00 0.00 C ATOM 765 CD GLU A 55 4.974 13.166 -5.716 1.00 0.00 C ATOM 766 OE1 GLU A 55 4.806 12.311 -6.611 1.00 0.00 O ATOM 767 OE2 GLU A 55 5.530 14.266 -5.916 1.00 0.00 O ATOM 0 H GLU A 55 1.511 12.928 -2.724 1.00 0.00 H new ATOM 0 HA GLU A 55 2.229 13.443 -5.509 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.094 11.564 -3.318 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.413 11.120 -4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.256 13.782 -3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.274 12.356 -3.758 1.00 0.00 H new ATOM 774 N GLU A 56 1.306 11.244 -6.582 1.00 0.00 N ATOM 775 CA GLU A 56 0.452 10.292 -7.282 1.00 0.00 C ATOM 776 C GLU A 56 1.146 8.941 -7.425 1.00 0.00 C ATOM 777 O GLU A 56 2.356 8.873 -7.647 1.00 0.00 O ATOM 778 CB GLU A 56 0.073 10.832 -8.663 1.00 0.00 C ATOM 779 CG GLU A 56 -0.602 12.192 -8.620 1.00 0.00 C ATOM 780 CD GLU A 56 0.371 13.318 -8.329 1.00 0.00 C ATOM 781 OE1 GLU A 56 1.236 13.591 -9.187 1.00 0.00 O ATOM 782 OE2 GLU A 56 0.267 13.926 -7.243 1.00 0.00 O ATOM 0 H GLU A 56 2.146 11.514 -7.094 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.454 10.155 -6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.972 10.901 -9.276 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.593 10.121 -9.152 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.094 12.380 -9.575 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.380 12.183 -7.857 1.00 0.00 H new ATOM 789 N CYS A 57 0.373 7.868 -7.296 1.00 0.00 N ATOM 790 CA CYS A 57 0.914 6.518 -7.410 1.00 0.00 C ATOM 791 C CYS A 57 0.661 5.946 -8.801 1.00 0.00 C ATOM 792 O CYS A 57 0.105 6.620 -9.669 1.00 0.00 O ATOM 793 CB CYS A 57 0.292 5.607 -6.350 1.00 0.00 C ATOM 794 SG CYS A 57 0.530 6.181 -4.652 1.00 0.00 S ATOM 0 H CYS A 57 -0.630 7.907 -7.113 1.00 0.00 H new ATOM 0 HA CYS A 57 1.991 6.570 -7.249 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.777 5.517 -6.545 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.719 4.609 -6.448 1.00 0.00 H new ATOM 0 HG CYS A 57 1.445 5.461 -4.075 1.00 0.00 H new ATOM 800 N TYR A 58 1.073 4.700 -9.006 1.00 0.00 N ATOM 801 CA TYR A 58 0.895 4.039 -10.293 1.00 0.00 C ATOM 802 C TYR A 58 0.186 2.699 -10.124 1.00 0.00 C ATOM 803 O TYR A 58 0.751 1.748 -9.582 1.00 0.00 O ATOM 804 CB TYR A 58 2.248 3.830 -10.975 1.00 0.00 C ATOM 805 CG TYR A 58 2.140 3.456 -12.435 1.00 0.00 C ATOM 806 CD1 TYR A 58 1.973 2.132 -12.823 1.00 0.00 C ATOM 807 CD2 TYR A 58 2.205 4.425 -13.428 1.00 0.00 C ATOM 808 CE1 TYR A 58 1.873 1.785 -14.157 1.00 0.00 C ATOM 809 CE2 TYR A 58 2.105 4.088 -14.764 1.00 0.00 C ATOM 810 CZ TYR A 58 1.940 2.767 -15.123 1.00 0.00 C ATOM 811 OH TYR A 58 1.842 2.426 -16.453 1.00 0.00 O ATOM 0 H TYR A 58 1.532 4.128 -8.298 1.00 0.00 H new ATOM 0 HA TYR A 58 0.276 4.681 -10.919 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.835 4.744 -10.885 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.794 3.048 -10.448 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.920 1.361 -12.069 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.336 5.461 -13.151 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.743 0.751 -14.441 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.156 4.855 -15.523 1.00 0.00 H new ATOM 0 HH TYR A 58 1.907 3.234 -17.004 1.00 0.00 H new ATOM 821 N VAL A 59 -1.056 2.630 -10.592 1.00 0.00 N ATOM 822 CA VAL A 59 -1.843 1.407 -10.495 1.00 0.00 C ATOM 823 C VAL A 59 -2.566 1.113 -11.805 1.00 0.00 C ATOM 824 O VAL A 59 -3.380 1.912 -12.269 1.00 0.00 O ATOM 825 CB VAL A 59 -2.879 1.495 -9.358 1.00 0.00 C ATOM 826 CG1 VAL A 59 -3.563 2.854 -9.363 1.00 0.00 C ATOM 827 CG2 VAL A 59 -3.901 0.374 -9.481 1.00 0.00 C ATOM 0 H VAL A 59 -1.539 3.407 -11.042 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.145 0.598 -10.279 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.360 1.380 -8.407 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.291 2.898 -8.553 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.818 3.637 -9.223 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.071 3.002 -10.316 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.625 0.451 -8.670 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.417 0.456 -10.437 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.393 -0.589 -9.424 1.00 0.00 H new ATOM 917 N LYS A 66 -6.662 -8.263 -9.100 1.00 0.00 N ATOM 918 CA LYS A 66 -5.672 -7.659 -8.215 1.00 0.00 C ATOM 919 C LYS A 66 -5.276 -6.271 -8.709 1.00 0.00 C ATOM 920 O LYS A 66 -5.768 -5.803 -9.736 1.00 0.00 O ATOM 921 CB LYS A 66 -4.433 -8.551 -8.119 1.00 0.00 C ATOM 922 CG LYS A 66 -4.687 -9.873 -7.415 1.00 0.00 C ATOM 923 CD LYS A 66 -3.406 -10.455 -6.842 1.00 0.00 C ATOM 924 CE LYS A 66 -2.525 -11.045 -7.932 1.00 0.00 C ATOM 925 NZ LYS A 66 -2.947 -12.425 -8.300 1.00 0.00 N ATOM 0 HA LYS A 66 -6.118 -7.559 -7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.060 -8.750 -9.124 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.648 -8.012 -7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.411 -9.726 -6.614 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.127 -10.581 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.858 -9.677 -6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.650 -11.227 -6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.562 -10.406 -8.815 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.489 -11.060 -7.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.322 -12.792 -9.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.887 -13.041 -7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.927 -12.407 -8.648 1.00 0.00 H new ATOM 939 N HIS A 67 -4.383 -5.618 -7.971 1.00 0.00 N ATOM 940 CA HIS A 67 -3.920 -4.284 -8.336 1.00 0.00 C ATOM 941 C HIS A 67 -2.474 -4.072 -7.895 1.00 0.00 C ATOM 942 O HIS A 67 -2.129 -4.294 -6.734 1.00 0.00 O ATOM 943 CB HIS A 67 -4.818 -3.219 -7.707 1.00 0.00 C ATOM 944 CG HIS A 67 -6.191 -3.165 -8.304 1.00 0.00 C ATOM 945 ND1 HIS A 67 -7.357 -3.715 -7.893 1.00 0.00 N flip ATOM 946 CD2 HIS A 67 -6.479 -2.483 -9.467 1.00 0.00 C flip ATOM 947 CE1 HIS A 67 -8.320 -3.358 -8.805 1.00 0.00 C flip ATOM 948 NE2 HIS A 67 -7.764 -2.614 -9.745 1.00 0.00 N flip ATOM 0 H HIS A 67 -3.966 -5.991 -7.118 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.968 -4.194 -9.421 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.903 -3.412 -6.638 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.344 -2.244 -7.818 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.766 -1.928 -10.058 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.362 -3.639 -8.761 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -8.245 -2.210 -10.548 1.00 0.00 H new ATOM 957 N THR A 68 -1.632 -3.643 -8.829 1.00 0.00 N ATOM 958 CA THR A 68 -0.225 -3.403 -8.538 1.00 0.00 C ATOM 959 C THR A 68 0.040 -1.923 -8.282 1.00 0.00 C ATOM 960 O THR A 68 -0.470 -1.060 -8.997 1.00 0.00 O ATOM 961 CB THR A 68 0.677 -3.881 -9.691 1.00 0.00 C ATOM 962 OG1 THR A 68 0.469 -5.278 -9.929 1.00 0.00 O ATOM 963 CG2 THR A 68 2.143 -3.630 -9.372 1.00 0.00 C ATOM 0 H THR A 68 -1.901 -3.454 -9.795 1.00 0.00 H new ATOM 0 HA THR A 68 0.013 -3.973 -7.640 1.00 0.00 H new ATOM 0 HB THR A 68 0.414 -3.316 -10.586 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.045 -5.574 -10.665 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.760 -3.976 -10.201 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.305 -2.563 -9.220 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.416 -4.171 -8.466 1.00 0.00 H new ATOM 971 N ILE A 69 0.839 -1.638 -7.260 1.00 0.00 N ATOM 972 CA ILE A 69 1.171 -0.262 -6.911 1.00 0.00 C ATOM 973 C ILE A 69 2.669 -0.008 -7.045 1.00 0.00 C ATOM 974 O ILE A 69 3.484 -0.896 -6.795 1.00 0.00 O ATOM 975 CB ILE A 69 0.731 0.077 -5.475 1.00 0.00 C ATOM 976 CG1 ILE A 69 -0.553 -0.676 -5.121 1.00 0.00 C ATOM 977 CG2 ILE A 69 0.530 1.577 -5.323 1.00 0.00 C ATOM 978 CD1 ILE A 69 -1.677 -0.454 -6.108 1.00 0.00 C ATOM 0 H ILE A 69 1.269 -2.341 -6.659 1.00 0.00 H new ATOM 0 HA ILE A 69 0.632 0.379 -7.608 1.00 0.00 H new ATOM 0 HB ILE A 69 1.516 -0.236 -4.787 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.335 -1.743 -5.065 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.884 -0.366 -4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.219 1.801 -4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.465 2.093 -5.539 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.239 1.913 -6.019 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.555 -1.018 -5.793 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.923 0.607 -6.147 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.365 -0.791 -7.097 1.00 0.00 H new ATOM 990 N ARG A 70 3.024 1.210 -7.440 1.00 0.00 N ATOM 991 CA ARG A 70 4.424 1.582 -7.607 1.00 0.00 C ATOM 992 C ARG A 70 4.632 3.063 -7.305 1.00 0.00 C ATOM 993 O ARG A 70 4.017 3.927 -7.930 1.00 0.00 O ATOM 994 CB ARG A 70 4.891 1.269 -9.030 1.00 0.00 C ATOM 995 CG ARG A 70 6.386 1.019 -9.139 1.00 0.00 C ATOM 996 CD ARG A 70 6.784 0.632 -10.555 1.00 0.00 C ATOM 997 NE ARG A 70 6.668 -0.806 -10.783 1.00 0.00 N ATOM 998 CZ ARG A 70 5.550 -1.398 -11.188 1.00 0.00 C ATOM 999 NH1 ARG A 70 4.458 -0.679 -11.409 1.00 0.00 N ATOM 1000 NH2 ARG A 70 5.522 -2.711 -11.373 1.00 0.00 N ATOM 0 H ARG A 70 2.361 1.956 -7.650 1.00 0.00 H new ATOM 0 HA ARG A 70 5.016 0.999 -6.902 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.357 0.391 -9.394 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.621 2.099 -9.683 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.929 1.916 -8.839 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.675 0.226 -8.449 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.153 1.164 -11.267 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.811 0.947 -10.742 1.00 0.00 H new ATOM 0 HE ARG A 70 7.491 -1.387 -10.622 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.475 0.331 -11.268 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.601 -1.136 -11.720 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.360 -3.268 -11.204 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.663 -3.164 -11.684 1.00 0.00 H new ATOM 1014 N PHE A 71 5.504 3.349 -6.343 1.00 0.00 N ATOM 1015 CA PHE A 71 5.793 4.725 -5.957 1.00 0.00 C ATOM 1016 C PHE A 71 7.127 4.815 -5.223 1.00 0.00 C ATOM 1017 O PHE A 71 7.571 3.851 -4.599 1.00 0.00 O ATOM 1018 CB PHE A 71 4.673 5.275 -5.072 1.00 0.00 C ATOM 1019 CG PHE A 71 4.353 4.397 -3.895 1.00 0.00 C ATOM 1020 CD1 PHE A 71 5.277 4.214 -2.880 1.00 0.00 C ATOM 1021 CD2 PHE A 71 3.129 3.755 -3.806 1.00 0.00 C ATOM 1022 CE1 PHE A 71 4.987 3.408 -1.795 1.00 0.00 C ATOM 1023 CE2 PHE A 71 2.832 2.947 -2.724 1.00 0.00 C ATOM 1024 CZ PHE A 71 3.763 2.773 -1.718 1.00 0.00 C ATOM 0 H PHE A 71 6.023 2.646 -5.817 1.00 0.00 H new ATOM 0 HA PHE A 71 5.857 5.325 -6.865 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.958 6.263 -4.711 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.774 5.403 -5.675 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.236 4.707 -2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.398 3.887 -4.590 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.716 3.275 -1.009 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.874 2.453 -2.665 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.534 2.141 -0.873 1.00 0.00 H new ATOM 1034 N ILE A 72 7.763 5.979 -5.304 1.00 0.00 N ATOM 1035 CA ILE A 72 9.046 6.196 -4.648 1.00 0.00 C ATOM 1036 C ILE A 72 8.967 7.351 -3.655 1.00 0.00 C ATOM 1037 O ILE A 72 8.493 8.442 -3.970 1.00 0.00 O ATOM 1038 CB ILE A 72 10.159 6.488 -5.671 1.00 0.00 C ATOM 1039 CG1 ILE A 72 10.345 5.295 -6.610 1.00 0.00 C ATOM 1040 CG2 ILE A 72 11.462 6.815 -4.956 1.00 0.00 C ATOM 1041 CD1 ILE A 72 10.996 5.657 -7.926 1.00 0.00 C ATOM 0 H ILE A 72 7.410 6.786 -5.818 1.00 0.00 H new ATOM 0 HA ILE A 72 9.287 5.277 -4.114 1.00 0.00 H new ATOM 0 HB ILE A 72 9.867 7.353 -6.267 1.00 0.00 H new ATOM 0 HG12 ILE A 72 10.952 4.540 -6.109 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.373 4.843 -6.807 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.240 7.019 -5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.320 7.692 -4.325 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.761 5.968 -4.338 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.096 4.762 -8.541 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.379 6.389 -8.448 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.983 6.081 -7.739 1.00 0.00 H new ATOM 1053 N PRO A 73 9.444 7.107 -2.425 1.00 0.00 N ATOM 1054 CA PRO A 73 9.442 8.115 -1.361 1.00 0.00 C ATOM 1055 C PRO A 73 10.432 9.243 -1.628 1.00 0.00 C ATOM 1056 O PRO A 73 11.558 9.226 -1.129 1.00 0.00 O ATOM 1057 CB PRO A 73 9.857 7.322 -0.119 1.00 0.00 C ATOM 1058 CG PRO A 73 10.639 6.170 -0.650 1.00 0.00 C ATOM 1059 CD PRO A 73 10.024 5.829 -1.979 1.00 0.00 C ATOM 0 HA PRO A 73 8.473 8.605 -1.267 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.458 7.931 0.557 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.987 6.984 0.444 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.691 6.431 -0.763 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.593 5.320 0.031 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.769 5.458 -2.683 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.263 5.054 -1.883 1.00 0.00 H new ATOM 1067 N HIS A 74 10.007 10.224 -2.418 1.00 0.00 N ATOM 1068 CA HIS A 74 10.857 11.361 -2.751 1.00 0.00 C ATOM 1069 C HIS A 74 11.571 11.887 -1.510 1.00 0.00 C ATOM 1070 O HIS A 74 12.672 12.429 -1.599 1.00 0.00 O ATOM 1071 CB HIS A 74 10.027 12.477 -3.387 1.00 0.00 C ATOM 1072 CG HIS A 74 9.745 12.259 -4.841 1.00 0.00 C ATOM 1073 ND1 HIS A 74 9.307 11.055 -5.351 1.00 0.00 N ATOM 1074 CD2 HIS A 74 9.840 13.101 -5.897 1.00 0.00 C ATOM 1075 CE1 HIS A 74 9.146 11.165 -6.658 1.00 0.00 C ATOM 1076 NE2 HIS A 74 9.462 12.397 -7.014 1.00 0.00 N ATOM 0 H HIS A 74 9.079 10.254 -2.839 1.00 0.00 H new ATOM 0 HA HIS A 74 11.608 11.024 -3.466 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.082 12.566 -2.851 1.00 0.00 H new ATOM 0 HB3 HIS A 74 10.553 13.424 -3.265 1.00 0.00 H new ATOM 0 HD1 HIS A 74 9.134 10.211 -4.805 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.154 14.134 -5.867 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.813 10.381 -7.322 1.00 0.00 H new ATOM 1085 N GLU A 75 10.937 11.723 -0.353 1.00 0.00 N ATOM 1086 CA GLU A 75 11.512 12.183 0.905 1.00 0.00 C ATOM 1087 C GLU A 75 11.511 11.065 1.945 1.00 0.00 C ATOM 1088 O GLU A 75 10.898 10.017 1.744 1.00 0.00 O ATOM 1089 CB GLU A 75 10.735 13.389 1.436 1.00 0.00 C ATOM 1090 CG GLU A 75 11.309 13.966 2.719 1.00 0.00 C ATOM 1091 CD GLU A 75 10.848 15.388 2.977 1.00 0.00 C ATOM 1092 OE1 GLU A 75 9.853 15.812 2.353 1.00 0.00 O ATOM 1093 OE2 GLU A 75 11.483 16.076 3.804 1.00 0.00 O ATOM 0 H GLU A 75 10.025 11.275 -0.261 1.00 0.00 H new ATOM 0 HA GLU A 75 12.544 12.479 0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.721 14.167 0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.700 13.095 1.611 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.017 13.335 3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.398 13.945 2.667 1.00 0.00 H new ATOM 1100 N ASN A 76 12.201 11.298 3.056 1.00 0.00 N ATOM 1101 CA ASN A 76 12.281 10.312 4.127 1.00 0.00 C ATOM 1102 C ASN A 76 11.130 10.485 5.113 1.00 0.00 C ATOM 1103 O ASN A 76 10.457 11.515 5.124 1.00 0.00 O ATOM 1104 CB ASN A 76 13.618 10.432 4.861 1.00 0.00 C ATOM 1105 CG ASN A 76 14.760 10.785 3.928 1.00 0.00 C ATOM 1106 OD1 ASN A 76 14.724 10.242 2.717 1.00 0.00 O flip ATOM 1107 ND2 ASN A 76 15.664 11.537 4.292 1.00 0.00 N flip ATOM 0 H ASN A 76 12.713 12.161 3.238 1.00 0.00 H new ATOM 0 HA ASN A 76 12.207 9.321 3.680 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.537 11.194 5.636 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.840 9.490 5.362 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.651 11.932 5.232 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.426 11.765 3.653 1.00 0.00 H new ATOM 1114 N GLY A 77 10.909 9.468 5.941 1.00 0.00 N ATOM 1115 CA GLY A 77 9.839 9.528 6.920 1.00 0.00 C ATOM 1116 C GLY A 77 8.705 8.574 6.598 1.00 0.00 C ATOM 1117 O GLY A 77 8.711 7.921 5.555 1.00 0.00 O ATOM 0 H GLY A 77 11.451 8.604 5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.239 9.292 7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.451 10.546 6.968 1.00 0.00 H new ATOM 1121 N VAL A 78 7.730 8.492 7.497 1.00 0.00 N ATOM 1122 CA VAL A 78 6.584 7.611 7.304 1.00 0.00 C ATOM 1123 C VAL A 78 5.532 8.264 6.416 1.00 0.00 C ATOM 1124 O VAL A 78 4.910 9.257 6.797 1.00 0.00 O ATOM 1125 CB VAL A 78 5.938 7.227 8.649 1.00 0.00 C ATOM 1126 CG1 VAL A 78 4.832 6.206 8.438 1.00 0.00 C ATOM 1127 CG2 VAL A 78 6.989 6.695 9.612 1.00 0.00 C ATOM 0 H VAL A 78 7.710 9.025 8.366 1.00 0.00 H new ATOM 0 HA VAL A 78 6.957 6.709 6.818 1.00 0.00 H new ATOM 0 HB VAL A 78 5.495 8.121 9.088 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.388 5.947 9.399 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.067 6.628 7.786 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.247 5.310 7.977 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.515 6.429 10.557 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.463 5.812 9.182 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.743 7.462 9.788 1.00 0.00 H new ATOM 1137 N HIS A 79 5.336 7.701 5.228 1.00 0.00 N ATOM 1138 CA HIS A 79 4.356 8.228 4.284 1.00 0.00 C ATOM 1139 C HIS A 79 2.981 7.616 4.529 1.00 0.00 C ATOM 1140 O HIS A 79 2.863 6.560 5.152 1.00 0.00 O ATOM 1141 CB HIS A 79 4.802 7.953 2.847 1.00 0.00 C ATOM 1142 CG HIS A 79 6.069 8.656 2.468 1.00 0.00 C ATOM 1143 ND1 HIS A 79 7.114 8.850 3.346 1.00 0.00 N ATOM 1144 CD2 HIS A 79 6.457 9.210 1.296 1.00 0.00 C ATOM 1145 CE1 HIS A 79 8.089 9.495 2.731 1.00 0.00 C ATOM 1146 NE2 HIS A 79 7.715 9.725 1.485 1.00 0.00 N ATOM 0 H HIS A 79 5.842 6.880 4.896 1.00 0.00 H new ATOM 0 HA HIS A 79 4.286 9.305 4.435 1.00 0.00 H new ATOM 0 HB2 HIS A 79 4.939 6.879 2.717 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.009 8.258 2.164 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.883 9.241 0.382 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.031 9.785 3.172 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.271 10.207 0.778 1.00 0.00 H new ATOM 1155 N SER A 80 1.944 8.285 4.036 1.00 0.00 N ATOM 1156 CA SER A 80 0.576 7.808 4.205 1.00 0.00 C ATOM 1157 C SER A 80 0.031 7.245 2.896 1.00 0.00 C ATOM 1158 O SER A 80 -0.266 7.991 1.963 1.00 0.00 O ATOM 1159 CB SER A 80 -0.324 8.943 4.699 1.00 0.00 C ATOM 1160 OG SER A 80 -1.635 8.475 4.965 1.00 0.00 O ATOM 0 H SER A 80 2.025 9.159 3.516 1.00 0.00 H new ATOM 0 HA SER A 80 0.584 7.010 4.948 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.100 9.380 5.603 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.362 9.734 3.950 1.00 0.00 H new ATOM 0 HG SER A 80 -2.190 9.218 5.281 1.00 0.00 H new ATOM 1166 N ILE A 81 -0.097 5.924 2.836 1.00 0.00 N ATOM 1167 CA ILE A 81 -0.608 5.260 1.643 1.00 0.00 C ATOM 1168 C ILE A 81 -2.129 5.165 1.675 1.00 0.00 C ATOM 1169 O ILE A 81 -2.697 4.392 2.446 1.00 0.00 O ATOM 1170 CB ILE A 81 -0.019 3.845 1.491 1.00 0.00 C ATOM 1171 CG1 ILE A 81 1.459 3.839 1.885 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -0.195 3.348 0.064 1.00 0.00 C ATOM 1173 CD1 ILE A 81 2.347 4.583 0.912 1.00 0.00 C ATOM 0 H ILE A 81 0.146 5.292 3.599 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.303 5.866 0.790 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.556 3.171 2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.565 4.284 2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.802 2.807 1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.226 2.347 -0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.256 3.319 -0.183 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.319 4.022 -0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.381 4.537 1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.271 4.124 -0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.030 5.624 0.853 1.00 0.00 H new ATOM 1185 N ASP A 82 -2.783 5.955 0.830 1.00 0.00 N ATOM 1186 CA ASP A 82 -4.240 5.958 0.759 1.00 0.00 C ATOM 1187 C ASP A 82 -4.742 4.837 -0.146 1.00 0.00 C ATOM 1188 O ASP A 82 -4.314 4.712 -1.294 1.00 0.00 O ATOM 1189 CB ASP A 82 -4.743 7.308 0.246 1.00 0.00 C ATOM 1190 CG ASP A 82 -6.150 7.227 -0.314 1.00 0.00 C ATOM 1191 OD1 ASP A 82 -7.110 7.390 0.467 1.00 0.00 O ATOM 1192 OD2 ASP A 82 -6.290 6.998 -1.534 1.00 0.00 O ATOM 0 H ASP A 82 -2.328 6.601 0.185 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.629 5.791 1.763 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.720 8.034 1.059 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.068 7.674 -0.527 1.00 0.00 H new ATOM 1197 N VAL A 83 -5.652 4.023 0.379 1.00 0.00 N ATOM 1198 CA VAL A 83 -6.213 2.912 -0.381 1.00 0.00 C ATOM 1199 C VAL A 83 -7.734 2.891 -0.282 1.00 0.00 C ATOM 1200 O VAL A 83 -8.296 2.561 0.763 1.00 0.00 O ATOM 1201 CB VAL A 83 -5.659 1.561 0.109 1.00 0.00 C ATOM 1202 CG1 VAL A 83 -6.329 0.410 -0.627 1.00 0.00 C ATOM 1203 CG2 VAL A 83 -4.149 1.509 -0.065 1.00 0.00 C ATOM 0 H VAL A 83 -6.017 4.112 1.327 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.922 3.060 -1.421 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.883 1.461 1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.925 -0.536 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.403 0.438 -0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.139 0.503 -1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.775 0.547 0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.900 1.632 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.688 2.310 0.513 1.00 0.00 H new ATOM 1213 N LYS A 84 -8.397 3.245 -1.378 1.00 0.00 N ATOM 1214 CA LYS A 84 -9.855 3.267 -1.417 1.00 0.00 C ATOM 1215 C LYS A 84 -10.390 2.167 -2.329 1.00 0.00 C ATOM 1216 O LYS A 84 -9.722 1.752 -3.276 1.00 0.00 O ATOM 1217 CB LYS A 84 -10.353 4.631 -1.900 1.00 0.00 C ATOM 1218 CG LYS A 84 -10.582 5.627 -0.776 1.00 0.00 C ATOM 1219 CD LYS A 84 -11.677 6.620 -1.126 1.00 0.00 C ATOM 1220 CE LYS A 84 -11.634 7.840 -0.218 1.00 0.00 C ATOM 1221 NZ LYS A 84 -10.420 8.668 -0.459 1.00 0.00 N ATOM 0 H LYS A 84 -7.948 3.521 -2.251 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.224 3.090 -0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.628 5.046 -2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.285 4.495 -2.449 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.851 5.093 0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.656 6.163 -0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.567 6.934 -2.164 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.650 6.136 -1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.525 8.446 -0.381 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -11.654 7.519 0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -10.583 9.634 -0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.610 8.250 0.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.218 8.699 -1.479 1.00 0.00 H new ATOM 1235 N PHE A 85 -11.600 1.700 -2.037 1.00 0.00 N ATOM 1236 CA PHE A 85 -12.225 0.648 -2.831 1.00 0.00 C ATOM 1237 C PHE A 85 -13.723 0.898 -2.981 1.00 0.00 C ATOM 1238 O PHE A 85 -14.481 0.783 -2.020 1.00 0.00 O ATOM 1239 CB PHE A 85 -11.987 -0.718 -2.185 1.00 0.00 C ATOM 1240 CG PHE A 85 -12.264 -1.873 -3.105 1.00 0.00 C ATOM 1241 CD1 PHE A 85 -11.527 -2.044 -4.265 1.00 0.00 C ATOM 1242 CD2 PHE A 85 -13.263 -2.786 -2.809 1.00 0.00 C ATOM 1243 CE1 PHE A 85 -11.779 -3.105 -5.114 1.00 0.00 C ATOM 1244 CE2 PHE A 85 -13.519 -3.850 -3.653 1.00 0.00 C ATOM 1245 CZ PHE A 85 -12.778 -4.009 -4.808 1.00 0.00 C ATOM 0 H PHE A 85 -12.167 2.033 -1.257 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.771 0.657 -3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.953 -0.775 -1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.619 -0.808 -1.301 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.746 -1.340 -4.509 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.848 -2.665 -1.909 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -11.196 -3.227 -6.015 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.298 -4.557 -3.410 1.00 0.00 H new ATOM 0 HZ PHE A 85 -12.979 -4.838 -5.470 1.00 0.00 H new ATOM 1255 N ASN A 86 -14.140 1.242 -4.195 1.00 0.00 N ATOM 1256 CA ASN A 86 -15.547 1.510 -4.472 1.00 0.00 C ATOM 1257 C ASN A 86 -16.047 2.695 -3.652 1.00 0.00 C ATOM 1258 O ASN A 86 -17.230 2.785 -3.329 1.00 0.00 O ATOM 1259 CB ASN A 86 -16.393 0.272 -4.167 1.00 0.00 C ATOM 1260 CG ASN A 86 -16.209 -0.823 -5.200 1.00 0.00 C ATOM 1261 OD1 ASN A 86 -16.236 -0.567 -6.404 1.00 0.00 O ATOM 1262 ND2 ASN A 86 -16.020 -2.052 -4.732 1.00 0.00 N ATOM 0 H ASN A 86 -13.525 1.342 -5.002 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.643 1.756 -5.529 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.127 -0.113 -3.182 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -17.445 0.555 -4.125 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.890 -2.830 -5.379 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.005 -2.218 -3.726 1.00 0.00 H new ATOM 1269 N GLY A 87 -15.135 3.605 -3.320 1.00 0.00 N ATOM 1270 CA GLY A 87 -15.502 4.773 -2.542 1.00 0.00 C ATOM 1271 C GLY A 87 -15.525 4.494 -1.052 1.00 0.00 C ATOM 1272 O GLY A 87 -16.276 5.122 -0.307 1.00 0.00 O ATOM 0 H GLY A 87 -14.149 3.553 -3.576 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -14.797 5.578 -2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -16.485 5.122 -2.858 1.00 0.00 H new ATOM 1276 N ALA A 88 -14.700 3.547 -0.617 1.00 0.00 N ATOM 1277 CA ALA A 88 -14.628 3.186 0.793 1.00 0.00 C ATOM 1278 C ALA A 88 -13.181 3.018 1.244 1.00 0.00 C ATOM 1279 O ALA A 88 -12.313 2.646 0.452 1.00 0.00 O ATOM 1280 CB ALA A 88 -15.415 1.911 1.053 1.00 0.00 C ATOM 0 H ALA A 88 -14.072 3.016 -1.221 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.070 3.997 1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.352 1.654 2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.459 2.065 0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.999 1.099 0.457 1.00 0.00 H new ATOM 1286 N HIS A 89 -12.926 3.293 2.519 1.00 0.00 N ATOM 1287 CA HIS A 89 -11.583 3.171 3.074 1.00 0.00 C ATOM 1288 C HIS A 89 -11.365 1.784 3.669 1.00 0.00 C ATOM 1289 O HIS A 89 -12.160 1.315 4.485 1.00 0.00 O ATOM 1290 CB HIS A 89 -11.352 4.239 4.144 1.00 0.00 C ATOM 1291 CG HIS A 89 -10.781 5.514 3.604 1.00 0.00 C ATOM 1292 ND1 HIS A 89 -9.426 5.757 3.523 1.00 0.00 N ATOM 1293 CD2 HIS A 89 -11.390 6.620 3.114 1.00 0.00 C ATOM 1294 CE1 HIS A 89 -9.226 6.957 3.008 1.00 0.00 C ATOM 1295 NE2 HIS A 89 -10.401 7.501 2.751 1.00 0.00 N ATOM 0 H HIS A 89 -13.632 3.602 3.187 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.868 3.317 2.265 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.298 4.456 4.640 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.678 3.841 4.903 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -8.693 5.111 3.815 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.454 6.779 3.025 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.265 7.415 2.828 1.00 0.00 H new ATOM 1304 N ILE A 90 -10.284 1.131 3.255 1.00 0.00 N ATOM 1305 CA ILE A 90 -9.961 -0.202 3.747 1.00 0.00 C ATOM 1306 C ILE A 90 -9.513 -0.157 5.204 1.00 0.00 C ATOM 1307 O ILE A 90 -8.959 0.835 5.679 1.00 0.00 O ATOM 1308 CB ILE A 90 -8.856 -0.863 2.902 1.00 0.00 C ATOM 1309 CG1 ILE A 90 -7.525 -0.137 3.108 1.00 0.00 C ATOM 1310 CG2 ILE A 90 -9.243 -0.863 1.431 1.00 0.00 C ATOM 1311 CD1 ILE A 90 -6.315 -1.004 2.836 1.00 0.00 C ATOM 0 H ILE A 90 -9.617 1.504 2.580 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.871 -0.796 3.667 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.739 -1.897 3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.491 0.735 2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.476 0.230 4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.452 -1.333 0.847 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.171 -1.419 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.383 0.163 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.407 -0.424 3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.325 -1.863 3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.340 -1.350 1.803 1.00 0.00 H new ATOM 1323 N PRO A 91 -9.756 -1.257 5.932 1.00 0.00 N ATOM 1324 CA PRO A 91 -9.384 -1.369 7.346 1.00 0.00 C ATOM 1325 C PRO A 91 -7.874 -1.453 7.542 1.00 0.00 C ATOM 1326 O PRO A 91 -7.261 -2.488 7.282 1.00 0.00 O ATOM 1327 CB PRO A 91 -10.054 -2.673 7.787 1.00 0.00 C ATOM 1328 CG PRO A 91 -10.189 -3.472 6.536 1.00 0.00 C ATOM 1329 CD PRO A 91 -10.413 -2.477 5.431 1.00 0.00 C ATOM 0 HA PRO A 91 -9.698 -0.498 7.921 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.451 -3.197 8.528 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.026 -2.484 8.243 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.292 -4.064 6.352 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.023 -4.170 6.607 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -9.973 -2.813 4.492 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.475 -2.314 5.246 1.00 0.00 H new ATOM 1337 N GLY A 92 -7.280 -0.357 8.004 1.00 0.00 N ATOM 1338 CA GLY A 92 -5.846 -0.329 8.228 1.00 0.00 C ATOM 1339 C GLY A 92 -5.171 0.827 7.516 1.00 0.00 C ATOM 1340 O GLY A 92 -4.031 1.175 7.826 1.00 0.00 O ATOM 0 H GLY A 92 -7.766 0.512 8.227 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.650 -0.257 9.298 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.409 -1.267 7.886 1.00 0.00 H new ATOM 1344 N SER A 93 -5.874 1.423 6.559 1.00 0.00 N ATOM 1345 CA SER A 93 -5.334 2.543 5.798 1.00 0.00 C ATOM 1346 C SER A 93 -5.635 3.867 6.492 1.00 0.00 C ATOM 1347 O SER A 93 -6.610 4.003 7.231 1.00 0.00 O ATOM 1348 CB SER A 93 -5.914 2.552 4.382 1.00 0.00 C ATOM 1349 OG SER A 93 -6.021 3.874 3.883 1.00 0.00 O ATOM 0 H SER A 93 -6.819 1.149 6.292 1.00 0.00 H new ATOM 0 HA SER A 93 -4.252 2.422 5.739 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.279 1.961 3.722 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.897 2.081 4.385 1.00 0.00 H new ATOM 0 HG SER A 93 -6.773 3.927 3.257 1.00 0.00 H new ATOM 1355 N PRO A 94 -4.778 4.870 6.249 1.00 0.00 N ATOM 1356 CA PRO A 94 -3.613 4.720 5.372 1.00 0.00 C ATOM 1357 C PRO A 94 -2.542 3.820 5.978 1.00 0.00 C ATOM 1358 O PRO A 94 -2.374 3.773 7.197 1.00 0.00 O ATOM 1359 CB PRO A 94 -3.090 6.152 5.229 1.00 0.00 C ATOM 1360 CG PRO A 94 -3.557 6.850 6.459 1.00 0.00 C ATOM 1361 CD PRO A 94 -4.879 6.226 6.813 1.00 0.00 C ATOM 0 HA PRO A 94 -3.875 4.250 4.424 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -2.003 6.171 5.152 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.482 6.629 4.330 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.840 6.731 7.271 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.665 7.920 6.283 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -5.036 6.202 7.891 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.713 6.780 6.382 1.00 0.00 H new ATOM 1369 N PHE A 95 -1.819 3.108 5.120 1.00 0.00 N ATOM 1370 CA PHE A 95 -0.764 2.208 5.572 1.00 0.00 C ATOM 1371 C PHE A 95 0.528 2.976 5.839 1.00 0.00 C ATOM 1372 O PHE A 95 1.245 3.349 4.911 1.00 0.00 O ATOM 1373 CB PHE A 95 -0.515 1.115 4.530 1.00 0.00 C ATOM 1374 CG PHE A 95 -1.580 0.057 4.506 1.00 0.00 C ATOM 1375 CD1 PHE A 95 -1.866 -0.683 5.642 1.00 0.00 C ATOM 1376 CD2 PHE A 95 -2.295 -0.199 3.347 1.00 0.00 C ATOM 1377 CE1 PHE A 95 -2.846 -1.658 5.623 1.00 0.00 C ATOM 1378 CE2 PHE A 95 -3.276 -1.172 3.322 1.00 0.00 C ATOM 1379 CZ PHE A 95 -3.551 -1.903 4.461 1.00 0.00 C ATOM 0 H PHE A 95 -1.944 3.137 4.108 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.090 1.745 6.503 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.447 1.573 3.543 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.448 0.645 4.730 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.317 -0.496 6.553 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.083 0.368 2.453 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.060 -2.227 6.516 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.827 -1.361 2.413 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.316 -2.665 4.443 1.00 0.00 H new ATOM 1389 N LYS A 96 0.818 3.208 7.115 1.00 0.00 N ATOM 1390 CA LYS A 96 2.022 3.930 7.507 1.00 0.00 C ATOM 1391 C LYS A 96 3.264 3.070 7.299 1.00 0.00 C ATOM 1392 O LYS A 96 3.533 2.153 8.076 1.00 0.00 O ATOM 1393 CB LYS A 96 1.928 4.364 8.971 1.00 0.00 C ATOM 1394 CG LYS A 96 0.836 5.386 9.234 1.00 0.00 C ATOM 1395 CD LYS A 96 1.157 6.723 8.589 1.00 0.00 C ATOM 1396 CE LYS A 96 0.006 7.706 8.742 1.00 0.00 C ATOM 1397 NZ LYS A 96 0.038 8.396 10.061 1.00 0.00 N ATOM 0 H LYS A 96 0.235 2.906 7.895 1.00 0.00 H new ATOM 0 HA LYS A 96 2.105 4.816 6.877 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.748 3.485 9.591 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.886 4.781 9.280 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.113 5.013 8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.713 5.520 10.309 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.056 7.140 9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.373 6.575 7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.052 8.447 7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.941 7.177 8.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.762 9.057 10.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.032 7.692 10.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.930 8.922 10.156 1.00 0.00 H new ATOM 1411 N ILE A 97 4.019 3.372 6.248 1.00 0.00 N ATOM 1412 CA ILE A 97 5.234 2.627 5.940 1.00 0.00 C ATOM 1413 C ILE A 97 6.478 3.430 6.305 1.00 0.00 C ATOM 1414 O ILE A 97 6.582 4.613 5.980 1.00 0.00 O ATOM 1415 CB ILE A 97 5.300 2.248 4.449 1.00 0.00 C ATOM 1416 CG1 ILE A 97 5.109 3.490 3.576 1.00 0.00 C ATOM 1417 CG2 ILE A 97 4.248 1.198 4.123 1.00 0.00 C ATOM 1418 CD1 ILE A 97 5.457 3.264 2.121 1.00 0.00 C ATOM 0 H ILE A 97 3.811 4.128 5.595 1.00 0.00 H new ATOM 0 HA ILE A 97 5.205 1.715 6.537 1.00 0.00 H new ATOM 0 HB ILE A 97 6.283 1.827 4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.072 3.818 3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.726 4.298 3.968 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.307 0.940 3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.425 0.306 4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.257 1.594 4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.298 4.186 1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.502 2.965 2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.822 2.478 1.713 1.00 0.00 H new ATOM 1430 N ARG A 98 7.419 2.778 6.979 1.00 0.00 N ATOM 1431 CA ARG A 98 8.657 3.431 7.387 1.00 0.00 C ATOM 1432 C ARG A 98 9.669 3.440 6.245 1.00 0.00 C ATOM 1433 O ARG A 98 10.108 2.387 5.783 1.00 0.00 O ATOM 1434 CB ARG A 98 9.254 2.725 8.606 1.00 0.00 C ATOM 1435 CG ARG A 98 10.223 3.589 9.397 1.00 0.00 C ATOM 1436 CD ARG A 98 10.786 2.841 10.595 1.00 0.00 C ATOM 1437 NE ARG A 98 11.197 3.748 11.663 1.00 0.00 N ATOM 1438 CZ ARG A 98 10.351 4.518 12.339 1.00 0.00 C ATOM 1439 NH1 ARG A 98 9.055 4.490 12.060 1.00 0.00 N ATOM 1440 NH2 ARG A 98 10.802 5.317 13.298 1.00 0.00 N ATOM 0 H ARG A 98 7.348 1.798 7.254 1.00 0.00 H new ATOM 0 HA ARG A 98 8.424 4.462 7.651 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.445 2.407 9.263 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.770 1.823 8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.040 3.908 8.749 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.714 4.491 9.736 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.035 2.149 10.976 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.640 2.242 10.280 1.00 0.00 H new ATOM 0 HE ARG A 98 12.187 3.793 11.903 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.705 3.876 11.325 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.408 5.082 12.581 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.798 5.340 13.516 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.152 5.908 13.817 1.00 0.00 H new ATOM 1454 N VAL A 99 10.035 4.636 5.795 1.00 0.00 N ATOM 1455 CA VAL A 99 10.996 4.782 4.707 1.00 0.00 C ATOM 1456 C VAL A 99 12.339 5.283 5.225 1.00 0.00 C ATOM 1457 O VAL A 99 12.428 6.361 5.811 1.00 0.00 O ATOM 1458 CB VAL A 99 10.479 5.752 3.629 1.00 0.00 C ATOM 1459 CG1 VAL A 99 11.588 6.101 2.648 1.00 0.00 C ATOM 1460 CG2 VAL A 99 9.283 5.155 2.903 1.00 0.00 C ATOM 0 H VAL A 99 9.681 5.518 6.166 1.00 0.00 H new ATOM 0 HA VAL A 99 11.126 3.795 4.264 1.00 0.00 H new ATOM 0 HB VAL A 99 10.156 6.671 4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.204 6.787 1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.412 6.574 3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 99 11.945 5.192 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 99 8.931 5.855 2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.577 4.220 2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.483 4.962 3.618 1.00 0.00 H new