USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=15 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 49 THR OG1 : rot -87:sc= 1.39 USER MOD Set 1.2: A 51 SER OG : rot 180:sc= 0.00259 USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN : amide:sc= 0.537 K(o=0.54,f=-1.2) 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 : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 22 THR OG1 : rot 27:sc= 0.145 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 28 GLN : amide:sc= -3.73! C(o=-3.7!,f=-4.8!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -1.61 K(o=-1.6,f=-5!) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 CYS SG : rot -106:sc= 0.274 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 : no HD1:sc= -0.942 X(o=-0.94,f=-0.59) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 0.206 K(o=0.21,f=-0.86) USER MOD Single : A 76 ASN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.277 K(o=-0.28,f=-1.2) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.111) USER MOD Single : A 86 ASN : amide:sc= -0.0719 X(o=-0.072,f=-0.3) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot -140:sc= -0.941 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 11 -14.544 -4.525 1.322 1.00 0.00 N ATOM 102 CA ALA A 11 -13.208 -3.943 1.350 1.00 0.00 C ATOM 103 C ALA A 11 -12.362 -4.563 2.457 1.00 0.00 C ATOM 104 O ALA A 11 -11.133 -4.527 2.406 1.00 0.00 O ATOM 105 CB ALA A 11 -13.293 -2.435 1.531 1.00 0.00 C ATOM 0 HA ALA A 11 -12.726 -4.157 0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.288 -2.014 1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.853 -2.000 0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.799 -2.209 2.470 1.00 0.00 H new ATOM 111 N ARG A 12 -13.029 -5.132 3.457 1.00 0.00 N ATOM 112 CA ARG A 12 -12.338 -5.758 4.577 1.00 0.00 C ATOM 113 C ARG A 12 -11.575 -6.999 4.121 1.00 0.00 C ATOM 114 O ARG A 12 -10.655 -7.458 4.798 1.00 0.00 O ATOM 115 CB ARG A 12 -13.336 -6.135 5.674 1.00 0.00 C ATOM 116 CG ARG A 12 -14.378 -7.147 5.227 1.00 0.00 C ATOM 117 CD ARG A 12 -15.255 -7.592 6.387 1.00 0.00 C ATOM 118 NE ARG A 12 -14.611 -8.623 7.196 1.00 0.00 N ATOM 119 CZ ARG A 12 -15.167 -9.166 8.273 1.00 0.00 C ATOM 120 NH1 ARG A 12 -16.371 -8.778 8.669 1.00 0.00 N ATOM 121 NH2 ARG A 12 -14.518 -10.100 8.957 1.00 0.00 N ATOM 0 H ARG A 12 -14.047 -5.172 3.514 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.623 -5.039 4.977 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -12.790 -6.540 6.526 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -13.842 -5.233 6.019 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.000 -6.710 4.446 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.881 -8.014 4.791 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.489 -6.732 7.015 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -16.201 -7.972 6.001 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.683 -8.944 6.919 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.873 -8.060 8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -16.795 -9.197 9.497 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.591 -10.401 8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.946 -10.516 9.784 1.00 0.00 H new ATOM 135 N ARG A 13 -11.964 -7.536 2.969 1.00 0.00 N ATOM 136 CA ARG A 13 -11.319 -8.724 2.423 1.00 0.00 C ATOM 137 C ARG A 13 -10.016 -8.359 1.718 1.00 0.00 C ATOM 138 O ARG A 13 -9.260 -9.235 1.297 1.00 0.00 O ATOM 139 CB ARG A 13 -12.257 -9.437 1.448 1.00 0.00 C ATOM 140 CG ARG A 13 -13.595 -9.819 2.059 1.00 0.00 C ATOM 141 CD ARG A 13 -14.619 -10.161 0.989 1.00 0.00 C ATOM 142 NE ARG A 13 -15.646 -11.073 1.485 1.00 0.00 N ATOM 143 CZ ARG A 13 -15.443 -12.371 1.684 1.00 0.00 C ATOM 144 NH1 ARG A 13 -14.257 -12.906 1.431 1.00 0.00 N ATOM 145 NH2 ARG A 13 -16.428 -13.136 2.138 1.00 0.00 N ATOM 0 H ARG A 13 -12.723 -7.167 2.396 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.089 -9.395 3.251 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.431 -8.792 0.587 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.766 -10.337 1.077 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.462 -10.673 2.723 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.966 -8.995 2.669 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -15.090 -9.245 0.632 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.114 -10.614 0.136 1.00 0.00 H new ATOM 0 HE ARG A 13 -16.570 -10.693 1.690 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.497 -12.321 1.083 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.104 -13.903 1.585 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -17.342 -12.728 2.334 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.271 -14.132 2.290 1.00 0.00 H new ATOM 159 N LEU A 14 -9.761 -7.061 1.592 1.00 0.00 N ATOM 160 CA LEU A 14 -8.549 -6.580 0.937 1.00 0.00 C ATOM 161 C LEU A 14 -7.353 -6.659 1.880 1.00 0.00 C ATOM 162 O LEU A 14 -7.425 -6.226 3.031 1.00 0.00 O ATOM 163 CB LEU A 14 -8.743 -5.140 0.459 1.00 0.00 C ATOM 164 CG LEU A 14 -10.017 -4.862 -0.338 1.00 0.00 C ATOM 165 CD1 LEU A 14 -10.162 -3.374 -0.613 1.00 0.00 C ATOM 166 CD2 LEU A 14 -10.012 -5.648 -1.641 1.00 0.00 C ATOM 0 H LEU A 14 -10.377 -6.323 1.934 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.351 -7.219 0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.734 -4.485 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.886 -4.864 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.872 -5.185 0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.075 -3.196 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.212 -2.833 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.304 -3.025 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.926 -5.438 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.149 -5.355 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.957 -6.714 -1.422 1.00 0.00 H new ATOM 178 N THR A 15 -6.251 -7.212 1.384 1.00 0.00 N ATOM 179 CA THR A 15 -5.038 -7.347 2.181 1.00 0.00 C ATOM 180 C THR A 15 -3.800 -6.999 1.361 1.00 0.00 C ATOM 181 O THR A 15 -3.842 -6.983 0.131 1.00 0.00 O ATOM 182 CB THR A 15 -4.886 -8.776 2.736 1.00 0.00 C ATOM 183 OG1 THR A 15 -5.059 -9.731 1.684 1.00 0.00 O ATOM 184 CG2 THR A 15 -5.901 -9.038 3.839 1.00 0.00 C ATOM 0 H THR A 15 -6.173 -7.574 0.434 1.00 0.00 H new ATOM 0 HA THR A 15 -5.128 -6.649 3.014 1.00 0.00 H new ATOM 0 HB THR A 15 -3.884 -8.876 3.154 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.959 -10.637 2.045 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.775 -10.053 4.216 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.747 -8.328 4.651 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.909 -8.921 3.441 1.00 0.00 H new ATOM 192 N VAL A 16 -2.698 -6.721 2.051 1.00 0.00 N ATOM 193 CA VAL A 16 -1.448 -6.374 1.387 1.00 0.00 C ATOM 194 C VAL A 16 -0.255 -7.004 2.097 1.00 0.00 C ATOM 195 O VAL A 16 0.065 -6.649 3.232 1.00 0.00 O ATOM 196 CB VAL A 16 -1.248 -4.848 1.326 1.00 0.00 C ATOM 197 CG1 VAL A 16 -0.137 -4.493 0.350 1.00 0.00 C ATOM 198 CG2 VAL A 16 -2.547 -4.156 0.943 1.00 0.00 C ATOM 0 H VAL A 16 -2.646 -6.730 3.070 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.511 -6.765 0.371 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.954 -4.498 2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.011 -3.411 0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.794 -4.958 0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.397 -4.855 -0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.388 -3.078 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.873 -4.510 -0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.313 -4.383 1.685 1.00 0.00 H new ATOM 208 N THR A 17 0.401 -7.943 1.422 1.00 0.00 N ATOM 209 CA THR A 17 1.559 -8.624 1.989 1.00 0.00 C ATOM 210 C THR A 17 2.854 -8.116 1.366 1.00 0.00 C ATOM 211 O THR A 17 3.731 -7.607 2.063 1.00 0.00 O ATOM 212 CB THR A 17 1.468 -10.148 1.787 1.00 0.00 C ATOM 213 OG1 THR A 17 0.226 -10.638 2.305 1.00 0.00 O ATOM 214 CG2 THR A 17 2.625 -10.855 2.477 1.00 0.00 C ATOM 0 H THR A 17 0.150 -8.249 0.482 1.00 0.00 H new ATOM 0 HA THR A 17 1.563 -8.406 3.057 1.00 0.00 H new ATOM 0 HB THR A 17 1.522 -10.354 0.718 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.175 -11.607 2.171 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.540 -11.930 2.321 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.568 -10.501 2.060 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.597 -10.640 3.545 1.00 0.00 H new ATOM 222 N SER A 18 2.968 -8.258 0.049 1.00 0.00 N ATOM 223 CA SER A 18 4.158 -7.817 -0.667 1.00 0.00 C ATOM 224 C SER A 18 4.721 -6.539 -0.051 1.00 0.00 C ATOM 225 O SER A 18 5.935 -6.337 -0.012 1.00 0.00 O ATOM 226 CB SER A 18 3.834 -7.584 -2.144 1.00 0.00 C ATOM 227 OG SER A 18 3.907 -8.794 -2.879 1.00 0.00 O ATOM 0 H SER A 18 2.250 -8.675 -0.543 1.00 0.00 H new ATOM 0 HA SER A 18 4.911 -8.601 -0.587 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.835 -7.158 -2.238 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.531 -6.858 -2.562 1.00 0.00 H new ATOM 0 HG SER A 18 3.694 -8.619 -3.819 1.00 0.00 H new ATOM 233 N LEU A 19 3.829 -5.679 0.428 1.00 0.00 N ATOM 234 CA LEU A 19 4.234 -4.420 1.043 1.00 0.00 C ATOM 235 C LEU A 19 5.242 -4.659 2.162 1.00 0.00 C ATOM 236 O LEU A 19 5.172 -5.665 2.867 1.00 0.00 O ATOM 237 CB LEU A 19 3.012 -3.681 1.592 1.00 0.00 C ATOM 238 CG LEU A 19 3.302 -2.444 2.443 1.00 0.00 C ATOM 239 CD1 LEU A 19 3.922 -1.345 1.594 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.029 -1.948 3.113 1.00 0.00 C ATOM 0 H LEU A 19 2.821 -5.831 0.402 1.00 0.00 H new ATOM 0 HA LEU A 19 4.708 -3.807 0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.386 -3.381 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.428 -4.380 2.190 1.00 0.00 H new ATOM 0 HG LEU A 19 4.015 -2.720 3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.121 -0.473 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.856 -1.703 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.233 -1.070 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.254 -1.067 3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.294 -1.689 2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.626 -2.732 3.754 1.00 0.00 H new ATOM 252 N GLN A 20 6.177 -3.728 2.318 1.00 0.00 N ATOM 253 CA GLN A 20 7.199 -3.838 3.353 1.00 0.00 C ATOM 254 C GLN A 20 7.002 -2.774 4.428 1.00 0.00 C ATOM 255 O GLN A 20 7.152 -1.581 4.167 1.00 0.00 O ATOM 256 CB GLN A 20 8.593 -3.707 2.738 1.00 0.00 C ATOM 257 CG GLN A 20 9.682 -4.395 3.547 1.00 0.00 C ATOM 258 CD GLN A 20 10.996 -4.488 2.796 1.00 0.00 C ATOM 259 OE1 GLN A 20 11.317 -3.629 1.975 1.00 0.00 O ATOM 260 NE2 GLN A 20 11.763 -5.536 3.074 1.00 0.00 N ATOM 0 H GLN A 20 6.248 -2.889 1.742 1.00 0.00 H new ATOM 0 HA GLN A 20 7.106 -4.819 3.818 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.578 -4.127 1.732 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.839 -2.650 2.638 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.838 -3.849 4.478 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.350 -5.398 3.817 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.457 -6.224 3.762 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.658 -5.653 2.599 1.00 0.00 H new ATOM 269 N GLU A 21 6.665 -3.215 5.636 1.00 0.00 N ATOM 270 CA GLU A 21 6.447 -2.300 6.749 1.00 0.00 C ATOM 271 C GLU A 21 7.696 -1.467 7.022 1.00 0.00 C ATOM 272 O GLU A 21 7.616 -0.256 7.235 1.00 0.00 O ATOM 273 CB GLU A 21 6.054 -3.076 8.008 1.00 0.00 C ATOM 274 CG GLU A 21 4.566 -3.367 8.103 1.00 0.00 C ATOM 275 CD GLU A 21 4.252 -4.491 9.072 1.00 0.00 C ATOM 276 OE1 GLU A 21 4.251 -4.237 10.294 1.00 0.00 O ATOM 277 OE2 GLU A 21 4.008 -5.624 8.608 1.00 0.00 O ATOM 0 H GLU A 21 6.537 -4.200 5.868 1.00 0.00 H new ATOM 0 HA GLU A 21 5.634 -1.627 6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.602 -4.018 8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.361 -2.508 8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.042 -2.464 8.418 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.187 -3.628 7.115 1.00 0.00 H new ATOM 284 N THR A 22 8.852 -2.124 7.014 1.00 0.00 N ATOM 285 CA THR A 22 10.118 -1.446 7.261 1.00 0.00 C ATOM 286 C THR A 22 11.225 -2.008 6.376 1.00 0.00 C ATOM 287 O THR A 22 11.425 -3.220 6.311 1.00 0.00 O ATOM 288 CB THR A 22 10.543 -1.571 8.737 1.00 0.00 C ATOM 289 OG1 THR A 22 10.703 -2.950 9.085 1.00 0.00 O ATOM 290 CG2 THR A 22 9.513 -0.928 9.653 1.00 0.00 C ATOM 0 H THR A 22 8.937 -3.125 6.839 1.00 0.00 H new ATOM 0 HA THR A 22 9.965 -0.394 7.022 1.00 0.00 H new ATOM 0 HB THR A 22 11.493 -1.052 8.864 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.937 -3.464 8.284 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.835 -1.029 10.690 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.415 0.129 9.405 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.551 -1.423 9.522 1.00 0.00 H new ATOM 298 N GLY A 23 11.942 -1.119 5.697 1.00 0.00 N ATOM 299 CA GLY A 23 13.021 -1.546 4.825 1.00 0.00 C ATOM 300 C GLY A 23 13.155 -0.669 3.596 1.00 0.00 C ATOM 301 O GLY A 23 14.259 -0.455 3.094 1.00 0.00 O ATOM 0 H GLY A 23 11.795 -0.110 5.735 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.959 -1.534 5.380 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.847 -2.576 4.515 1.00 0.00 H new ATOM 305 N LEU A 24 12.029 -0.160 3.108 1.00 0.00 N ATOM 306 CA LEU A 24 12.024 0.698 1.929 1.00 0.00 C ATOM 307 C LEU A 24 12.895 1.931 2.149 1.00 0.00 C ATOM 308 O LEU A 24 12.635 2.736 3.043 1.00 0.00 O ATOM 309 CB LEU A 24 10.595 1.123 1.588 1.00 0.00 C ATOM 310 CG LEU A 24 9.564 -0.002 1.496 1.00 0.00 C ATOM 311 CD1 LEU A 24 8.181 0.563 1.212 1.00 0.00 C ATOM 312 CD2 LEU A 24 9.963 -1.004 0.422 1.00 0.00 C ATOM 0 H LEU A 24 11.107 -0.327 3.511 1.00 0.00 H new ATOM 0 HA LEU A 24 12.435 0.129 1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.260 1.835 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.612 1.652 0.635 1.00 0.00 H new ATOM 0 HG LEU A 24 9.533 -0.519 2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.460 -0.253 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.893 1.241 2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.197 1.106 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.218 -1.798 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.023 -0.499 -0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.934 -1.433 0.668 1.00 0.00 H new ATOM 324 N LYS A 25 13.929 2.073 1.326 1.00 0.00 N ATOM 325 CA LYS A 25 14.837 3.210 1.428 1.00 0.00 C ATOM 326 C LYS A 25 14.348 4.375 0.574 1.00 0.00 C ATOM 327 O LYS A 25 13.306 4.287 -0.077 1.00 0.00 O ATOM 328 CB LYS A 25 16.247 2.802 0.994 1.00 0.00 C ATOM 329 CG LYS A 25 16.897 1.785 1.917 1.00 0.00 C ATOM 330 CD LYS A 25 18.098 1.126 1.261 1.00 0.00 C ATOM 331 CE LYS A 25 18.763 0.124 2.194 1.00 0.00 C ATOM 332 NZ LYS A 25 19.622 -0.839 1.452 1.00 0.00 N ATOM 0 H LYS A 25 14.159 1.415 0.581 1.00 0.00 H new ATOM 0 HA LYS A 25 14.862 3.532 2.469 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.203 2.389 -0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.875 3.691 0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.208 2.276 2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.168 1.023 2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.784 0.621 0.348 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.820 1.889 0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.366 0.657 2.929 1.00 0.00 H new ATOM 0 HE3 LYS A 25 17.998 -0.422 2.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.057 -1.504 2.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.042 -1.366 0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 20.368 -0.320 0.946 1.00 0.00 H new ATOM 346 N VAL A 26 15.107 5.466 0.579 1.00 0.00 N ATOM 347 CA VAL A 26 14.752 6.648 -0.198 1.00 0.00 C ATOM 348 C VAL A 26 15.066 6.449 -1.676 1.00 0.00 C ATOM 349 O VAL A 26 16.082 5.852 -2.031 1.00 0.00 O ATOM 350 CB VAL A 26 15.496 7.897 0.310 1.00 0.00 C ATOM 351 CG1 VAL A 26 16.939 7.892 -0.171 1.00 0.00 C ATOM 352 CG2 VAL A 26 14.780 9.162 -0.139 1.00 0.00 C ATOM 0 H VAL A 26 15.972 5.556 1.112 1.00 0.00 H new ATOM 0 HA VAL A 26 13.679 6.798 -0.075 1.00 0.00 H new ATOM 0 HB VAL A 26 15.502 7.877 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.449 8.782 0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.445 7.002 0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.959 7.888 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.319 10.035 0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.741 9.191 -1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.766 9.167 0.260 1.00 0.00 H new ATOM 362 N ASN A 27 14.186 6.953 -2.536 1.00 0.00 N ATOM 363 CA ASN A 27 14.370 6.831 -3.977 1.00 0.00 C ATOM 364 C ASN A 27 14.405 5.365 -4.399 1.00 0.00 C ATOM 365 O ASN A 27 15.181 4.979 -5.272 1.00 0.00 O ATOM 366 CB ASN A 27 15.661 7.528 -4.409 1.00 0.00 C ATOM 367 CG ASN A 27 15.575 9.036 -4.278 1.00 0.00 C ATOM 368 OD1 ASN A 27 16.429 9.666 -3.653 1.00 0.00 O ATOM 369 ND2 ASN A 27 14.541 9.624 -4.868 1.00 0.00 N ATOM 0 H ASN A 27 13.339 7.449 -2.259 1.00 0.00 H new ATOM 0 HA ASN A 27 13.524 7.312 -4.468 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.489 7.160 -3.804 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.882 7.268 -5.444 1.00 0.00 H new ATOM 0 HD21 ASN A 27 14.431 10.637 -4.814 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.857 9.063 -5.376 1.00 0.00 H new ATOM 376 N GLN A 28 13.558 4.554 -3.772 1.00 0.00 N ATOM 377 CA GLN A 28 13.493 3.131 -4.082 1.00 0.00 C ATOM 378 C GLN A 28 12.121 2.756 -4.633 1.00 0.00 C ATOM 379 O GLN A 28 11.084 3.050 -4.038 1.00 0.00 O ATOM 380 CB GLN A 28 13.798 2.301 -2.834 1.00 0.00 C ATOM 381 CG GLN A 28 15.282 2.060 -2.612 1.00 0.00 C ATOM 382 CD GLN A 28 15.554 0.826 -1.774 1.00 0.00 C ATOM 383 OE1 GLN A 28 14.633 0.214 -1.232 1.00 0.00 O ATOM 384 NE2 GLN A 28 16.824 0.453 -1.664 1.00 0.00 N ATOM 0 H GLN A 28 12.908 4.858 -3.047 1.00 0.00 H new ATOM 0 HA GLN A 28 14.242 2.917 -4.844 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.386 2.808 -1.961 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.290 1.340 -2.914 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.778 1.956 -3.577 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.718 2.931 -2.122 1.00 0.00 H new ATOM 0 HE21 GLN A 28 17.555 0.990 -2.130 1.00 0.00 H new ATOM 0 HE22 GLN A 28 17.068 -0.370 -1.113 1.00 0.00 H new ATOM 393 N PRO A 29 12.112 2.092 -5.799 1.00 0.00 N ATOM 394 CA PRO A 29 10.874 1.663 -6.456 1.00 0.00 C ATOM 395 C PRO A 29 10.175 0.539 -5.698 1.00 0.00 C ATOM 396 O PRO A 29 10.436 -0.639 -5.937 1.00 0.00 O ATOM 397 CB PRO A 29 11.351 1.169 -7.824 1.00 0.00 C ATOM 398 CG PRO A 29 12.771 0.771 -7.608 1.00 0.00 C ATOM 399 CD PRO A 29 13.310 1.709 -6.564 1.00 0.00 C ATOM 0 HA PRO A 29 10.141 2.468 -6.510 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.752 0.327 -8.172 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.269 1.952 -8.578 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.840 -0.265 -7.275 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.343 0.847 -8.533 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.052 1.222 -5.931 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.794 2.576 -7.014 1.00 0.00 H new ATOM 407 N ALA A 30 9.285 0.913 -4.784 1.00 0.00 N ATOM 408 CA ALA A 30 8.547 -0.064 -3.993 1.00 0.00 C ATOM 409 C ALA A 30 7.208 -0.398 -4.643 1.00 0.00 C ATOM 410 O ALA A 30 6.372 0.481 -4.852 1.00 0.00 O ATOM 411 CB ALA A 30 8.333 0.455 -2.579 1.00 0.00 C ATOM 0 H ALA A 30 9.058 1.885 -4.573 1.00 0.00 H new ATOM 0 HA ALA A 30 9.138 -0.979 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.781 -0.285 -2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.299 0.637 -2.108 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.766 1.385 -2.615 1.00 0.00 H new ATOM 417 N SER A 31 7.013 -1.673 -4.962 1.00 0.00 N ATOM 418 CA SER A 31 5.778 -2.123 -5.594 1.00 0.00 C ATOM 419 C SER A 31 5.216 -3.348 -4.878 1.00 0.00 C ATOM 420 O SER A 31 5.950 -4.281 -4.553 1.00 0.00 O ATOM 421 CB SER A 31 6.022 -2.447 -7.069 1.00 0.00 C ATOM 422 OG SER A 31 6.881 -3.565 -7.209 1.00 0.00 O ATOM 0 H SER A 31 7.694 -2.413 -4.793 1.00 0.00 H new ATOM 0 HA SER A 31 5.049 -1.316 -5.523 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.071 -2.650 -7.562 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.461 -1.582 -7.567 1.00 0.00 H new ATOM 0 HG SER A 31 7.020 -3.753 -8.161 1.00 0.00 H new ATOM 428 N PHE A 32 3.910 -3.337 -4.636 1.00 0.00 N ATOM 429 CA PHE A 32 3.249 -4.446 -3.959 1.00 0.00 C ATOM 430 C PHE A 32 1.873 -4.711 -4.563 1.00 0.00 C ATOM 431 O PHE A 32 1.336 -3.882 -5.298 1.00 0.00 O ATOM 432 CB PHE A 32 3.113 -4.150 -2.464 1.00 0.00 C ATOM 433 CG PHE A 32 2.746 -2.725 -2.166 1.00 0.00 C ATOM 434 CD1 PHE A 32 3.716 -1.735 -2.145 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.430 -2.373 -1.908 1.00 0.00 C ATOM 436 CE1 PHE A 32 3.380 -0.423 -1.870 1.00 0.00 C ATOM 437 CE2 PHE A 32 1.089 -1.062 -1.633 1.00 0.00 C ATOM 438 CZ PHE A 32 2.065 -0.086 -1.615 1.00 0.00 C ATOM 0 H PHE A 32 3.288 -2.572 -4.899 1.00 0.00 H new ATOM 0 HA PHE A 32 3.862 -5.337 -4.092 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.355 -4.808 -2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.055 -4.386 -1.968 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.746 -1.992 -2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.662 -3.132 -1.922 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.146 0.339 -1.854 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.060 -0.802 -1.432 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.801 0.939 -1.402 1.00 0.00 H new ATOM 448 N ALA A 33 1.308 -5.872 -4.248 1.00 0.00 N ATOM 449 CA ALA A 33 -0.005 -6.245 -4.759 1.00 0.00 C ATOM 450 C ALA A 33 -1.050 -6.232 -3.648 1.00 0.00 C ATOM 451 O ALA A 33 -0.725 -6.415 -2.474 1.00 0.00 O ATOM 452 CB ALA A 33 0.054 -7.617 -5.414 1.00 0.00 C ATOM 0 H ALA A 33 1.739 -6.570 -3.642 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.299 -5.509 -5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.934 -7.883 -5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.764 -7.595 -6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.373 -8.357 -4.680 1.00 0.00 H new ATOM 458 N VAL A 34 -2.306 -6.014 -4.025 1.00 0.00 N ATOM 459 CA VAL A 34 -3.398 -5.977 -3.061 1.00 0.00 C ATOM 460 C VAL A 34 -4.510 -6.945 -3.452 1.00 0.00 C ATOM 461 O VAL A 34 -5.324 -6.648 -4.327 1.00 0.00 O ATOM 462 CB VAL A 34 -3.988 -4.560 -2.934 1.00 0.00 C ATOM 463 CG1 VAL A 34 -5.097 -4.534 -1.893 1.00 0.00 C ATOM 464 CG2 VAL A 34 -2.896 -3.559 -2.586 1.00 0.00 C ATOM 0 H VAL A 34 -2.592 -5.860 -4.992 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.981 -6.276 -2.100 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.418 -4.276 -3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.501 -3.525 -1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.890 -5.221 -2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.696 -4.837 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.330 -2.563 -2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.436 -3.838 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.139 -3.559 -3.370 1.00 0.00 H new ATOM 474 N GLN A 35 -4.538 -8.102 -2.799 1.00 0.00 N ATOM 475 CA GLN A 35 -5.550 -9.113 -3.079 1.00 0.00 C ATOM 476 C GLN A 35 -6.928 -8.646 -2.622 1.00 0.00 C ATOM 477 O GLN A 35 -7.047 -7.853 -1.687 1.00 0.00 O ATOM 478 CB GLN A 35 -5.190 -10.430 -2.390 1.00 0.00 C ATOM 479 CG GLN A 35 -6.120 -11.578 -2.747 1.00 0.00 C ATOM 480 CD GLN A 35 -5.733 -12.261 -4.044 1.00 0.00 C ATOM 481 OE1 GLN A 35 -5.892 -11.697 -5.127 1.00 0.00 O ATOM 482 NE2 GLN A 35 -5.221 -13.482 -3.941 1.00 0.00 N ATOM 0 H GLN A 35 -3.871 -8.362 -2.072 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.580 -9.272 -4.157 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.169 -10.703 -2.658 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.207 -10.282 -1.310 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.114 -12.310 -1.939 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.140 -11.202 -2.829 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.107 -13.911 -3.023 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.942 -13.990 -4.780 1.00 0.00 H new ATOM 491 N LEU A 36 -7.965 -9.140 -3.287 1.00 0.00 N ATOM 492 CA LEU A 36 -9.336 -8.773 -2.950 1.00 0.00 C ATOM 493 C LEU A 36 -9.960 -9.801 -2.010 1.00 0.00 C ATOM 494 O LEU A 36 -10.593 -9.445 -1.018 1.00 0.00 O ATOM 495 CB LEU A 36 -10.180 -8.649 -4.220 1.00 0.00 C ATOM 496 CG LEU A 36 -9.596 -7.775 -5.330 1.00 0.00 C ATOM 497 CD1 LEU A 36 -10.358 -7.982 -6.629 1.00 0.00 C ATOM 498 CD2 LEU A 36 -9.621 -6.309 -4.923 1.00 0.00 C ATOM 0 H LEU A 36 -7.883 -9.796 -4.063 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.312 -7.809 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.346 -9.649 -4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.156 -8.250 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.559 -8.070 -5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.928 -7.352 -7.407 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.288 -9.028 -6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.405 -7.715 -6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.202 -5.702 -5.725 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.650 -6.001 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.030 -6.173 -4.017 1.00 0.00 H new ATOM 510 N ASN A 37 -9.773 -11.077 -2.331 1.00 0.00 N ATOM 511 CA ASN A 37 -10.316 -12.157 -1.514 1.00 0.00 C ATOM 512 C ASN A 37 -11.837 -12.065 -1.431 1.00 0.00 C ATOM 513 O ASN A 37 -12.444 -12.511 -0.458 1.00 0.00 O ATOM 514 CB ASN A 37 -9.714 -12.114 -0.108 1.00 0.00 C ATOM 515 CG ASN A 37 -8.199 -12.186 -0.126 1.00 0.00 C ATOM 516 OD1 ASN A 37 -7.619 -13.252 -0.331 1.00 0.00 O ATOM 517 ND2 ASN A 37 -7.550 -11.047 0.090 1.00 0.00 N ATOM 0 H ASN A 37 -9.250 -11.389 -3.150 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.052 -13.103 -1.986 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.026 -11.196 0.390 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.108 -12.944 0.479 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.530 -11.033 0.090 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.072 -10.186 0.256 1.00 0.00 H new ATOM 524 N GLY A 38 -12.446 -11.483 -2.460 1.00 0.00 N ATOM 525 CA GLY A 38 -13.890 -11.343 -2.484 1.00 0.00 C ATOM 526 C GLY A 38 -14.331 -9.897 -2.590 1.00 0.00 C ATOM 527 O GLY A 38 -15.236 -9.462 -1.878 1.00 0.00 O ATOM 0 H GLY A 38 -11.965 -11.106 -3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.292 -11.905 -3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.310 -11.782 -1.579 1.00 0.00 H new ATOM 531 N ALA A 39 -13.689 -9.148 -3.481 1.00 0.00 N ATOM 532 CA ALA A 39 -14.020 -7.743 -3.679 1.00 0.00 C ATOM 533 C ALA A 39 -13.837 -7.335 -5.137 1.00 0.00 C ATOM 534 O ALA A 39 -12.939 -7.826 -5.821 1.00 0.00 O ATOM 535 CB ALA A 39 -13.166 -6.867 -2.773 1.00 0.00 C ATOM 0 H ALA A 39 -12.936 -9.492 -4.077 1.00 0.00 H new ATOM 0 HA ALA A 39 -15.069 -7.603 -3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.424 -5.820 -2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.350 -7.133 -1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.112 -7.021 -3.006 1.00 0.00 H new ATOM 541 N ARG A 40 -14.695 -6.435 -5.607 1.00 0.00 N ATOM 542 CA ARG A 40 -14.628 -5.963 -6.985 1.00 0.00 C ATOM 543 C ARG A 40 -14.929 -4.469 -7.063 1.00 0.00 C ATOM 544 O ARG A 40 -16.079 -4.050 -6.938 1.00 0.00 O ATOM 545 CB ARG A 40 -15.614 -6.740 -7.860 1.00 0.00 C ATOM 546 CG ARG A 40 -15.766 -6.168 -9.260 1.00 0.00 C ATOM 547 CD ARG A 40 -14.553 -6.481 -10.123 1.00 0.00 C ATOM 548 NE ARG A 40 -14.756 -6.087 -11.515 1.00 0.00 N ATOM 549 CZ ARG A 40 -14.826 -4.823 -11.918 1.00 0.00 C ATOM 550 NH1 ARG A 40 -14.710 -3.836 -11.041 1.00 0.00 N ATOM 551 NH2 ARG A 40 -15.013 -4.544 -13.202 1.00 0.00 N ATOM 0 H ARG A 40 -15.444 -6.018 -5.054 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.616 -6.131 -7.352 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -15.283 -7.776 -7.934 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.589 -6.751 -7.373 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.662 -6.578 -9.727 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -15.903 -5.088 -9.200 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.681 -5.964 -9.723 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.340 -7.549 -10.076 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.849 -6.822 -12.216 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.566 -4.046 -10.053 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.764 -2.867 -11.354 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.103 -5.300 -13.880 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.067 -3.573 -13.510 1.00 0.00 H new ATOM 565 N GLY A 41 -13.887 -3.671 -7.270 1.00 0.00 N ATOM 566 CA GLY A 41 -14.060 -2.233 -7.361 1.00 0.00 C ATOM 567 C GLY A 41 -12.862 -1.542 -7.980 1.00 0.00 C ATOM 568 O GLY A 41 -12.306 -2.016 -8.971 1.00 0.00 O ATOM 0 H GLY A 41 -12.925 -3.994 -7.376 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -14.948 -2.014 -7.954 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -14.234 -1.828 -6.364 1.00 0.00 H new ATOM 572 N VAL A 42 -12.462 -0.417 -7.396 1.00 0.00 N ATOM 573 CA VAL A 42 -11.322 0.342 -7.897 1.00 0.00 C ATOM 574 C VAL A 42 -10.315 0.618 -6.786 1.00 0.00 C ATOM 575 O VAL A 42 -10.690 0.977 -5.669 1.00 0.00 O ATOM 576 CB VAL A 42 -11.766 1.680 -8.516 1.00 0.00 C ATOM 577 CG1 VAL A 42 -10.565 2.447 -9.048 1.00 0.00 C ATOM 578 CG2 VAL A 42 -12.788 1.443 -9.618 1.00 0.00 C ATOM 0 H VAL A 42 -12.911 -0.011 -6.575 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.851 -0.267 -8.668 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.236 2.282 -7.739 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.898 3.390 -9.482 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.871 2.648 -8.232 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.064 1.853 -9.812 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.091 2.399 -10.045 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -12.346 0.822 -10.397 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.660 0.938 -9.203 1.00 0.00 H new ATOM 588 N ILE A 43 -9.035 0.449 -7.099 1.00 0.00 N ATOM 589 CA ILE A 43 -7.974 0.681 -6.128 1.00 0.00 C ATOM 590 C ILE A 43 -7.287 2.021 -6.374 1.00 0.00 C ATOM 591 O ILE A 43 -6.662 2.228 -7.414 1.00 0.00 O ATOM 592 CB ILE A 43 -6.918 -0.439 -6.168 1.00 0.00 C ATOM 593 CG1 ILE A 43 -7.549 -1.779 -5.783 1.00 0.00 C ATOM 594 CG2 ILE A 43 -5.758 -0.108 -5.241 1.00 0.00 C ATOM 595 CD1 ILE A 43 -8.323 -1.731 -4.485 1.00 0.00 C ATOM 0 H ILE A 43 -8.708 0.152 -8.018 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.444 0.691 -5.144 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.533 -0.518 -7.185 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.216 -2.100 -6.583 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.764 -2.531 -5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.020 -0.909 -5.281 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.295 0.827 -5.557 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.126 -0.004 -4.220 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.742 -2.715 -4.275 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.655 -1.440 -3.674 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.130 -1.003 -4.569 1.00 0.00 H new ATOM 607 N ASP A 44 -7.406 2.926 -5.409 1.00 0.00 N ATOM 608 CA ASP A 44 -6.795 4.245 -5.519 1.00 0.00 C ATOM 609 C ASP A 44 -5.589 4.365 -4.592 1.00 0.00 C ATOM 610 O ASP A 44 -5.729 4.335 -3.369 1.00 0.00 O ATOM 611 CB ASP A 44 -7.817 5.334 -5.190 1.00 0.00 C ATOM 612 CG ASP A 44 -7.293 6.727 -5.480 1.00 0.00 C ATOM 613 OD1 ASP A 44 -6.768 6.944 -6.592 1.00 0.00 O ATOM 614 OD2 ASP A 44 -7.409 7.600 -4.595 1.00 0.00 O ATOM 0 H ASP A 44 -7.920 2.770 -4.542 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.455 4.375 -6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.725 5.163 -5.768 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.092 5.264 -4.138 1.00 0.00 H new ATOM 619 N ALA A 45 -4.406 4.499 -5.181 1.00 0.00 N ATOM 620 CA ALA A 45 -3.177 4.624 -4.408 1.00 0.00 C ATOM 621 C ALA A 45 -2.631 6.047 -4.470 1.00 0.00 C ATOM 622 O ALA A 45 -2.527 6.635 -5.547 1.00 0.00 O ATOM 623 CB ALA A 45 -2.135 3.635 -4.909 1.00 0.00 C ATOM 0 H ALA A 45 -4.273 4.524 -6.192 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.408 4.396 -3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.222 3.740 -4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.518 2.620 -4.806 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.917 3.836 -5.958 1.00 0.00 H new ATOM 629 N ARG A 46 -2.285 6.594 -3.310 1.00 0.00 N ATOM 630 CA ARG A 46 -1.752 7.949 -3.233 1.00 0.00 C ATOM 631 C ARG A 46 -0.902 8.128 -1.979 1.00 0.00 C ATOM 632 O ARG A 46 -1.366 7.894 -0.863 1.00 0.00 O ATOM 633 CB ARG A 46 -2.891 8.969 -3.240 1.00 0.00 C ATOM 634 CG ARG A 46 -3.494 9.199 -4.616 1.00 0.00 C ATOM 635 CD ARG A 46 -4.204 10.542 -4.697 1.00 0.00 C ATOM 636 NE ARG A 46 -5.161 10.590 -5.799 1.00 0.00 N ATOM 637 CZ ARG A 46 -4.807 10.611 -7.079 1.00 0.00 C ATOM 638 NH1 ARG A 46 -3.525 10.588 -7.417 1.00 0.00 N ATOM 639 NH2 ARG A 46 -5.737 10.655 -8.025 1.00 0.00 N ATOM 0 H ARG A 46 -2.364 6.120 -2.410 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.120 8.114 -4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.674 8.631 -2.561 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.520 9.918 -2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.708 9.156 -5.370 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.199 8.399 -4.844 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.723 10.735 -3.758 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.467 11.335 -4.823 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.156 10.608 -5.573 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.807 10.554 -6.693 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.257 10.604 -8.401 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.724 10.673 -7.769 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.464 10.671 -9.008 1.00 0.00 H new ATOM 653 N VAL A 47 0.346 8.545 -2.170 1.00 0.00 N ATOM 654 CA VAL A 47 1.261 8.756 -1.054 1.00 0.00 C ATOM 655 C VAL A 47 1.290 10.223 -0.638 1.00 0.00 C ATOM 656 O VAL A 47 1.208 11.119 -1.478 1.00 0.00 O ATOM 657 CB VAL A 47 2.691 8.305 -1.408 1.00 0.00 C ATOM 658 CG1 VAL A 47 2.795 6.788 -1.376 1.00 0.00 C ATOM 659 CG2 VAL A 47 3.099 8.848 -2.769 1.00 0.00 C ATOM 0 H VAL A 47 0.746 8.743 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 47 0.893 8.153 -0.224 1.00 0.00 H new ATOM 0 HB VAL A 47 3.376 8.708 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.812 6.488 -1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.547 6.427 -0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.100 6.360 -2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.112 8.520 -3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.412 8.477 -3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.066 9.937 -2.751 1.00 0.00 H new ATOM 669 N HIS A 48 1.410 10.460 0.664 1.00 0.00 N ATOM 670 CA HIS A 48 1.452 11.819 1.193 1.00 0.00 C ATOM 671 C HIS A 48 2.823 12.130 1.784 1.00 0.00 C ATOM 672 O HIS A 48 3.279 11.460 2.711 1.00 0.00 O ATOM 673 CB HIS A 48 0.370 12.009 2.257 1.00 0.00 C ATOM 674 CG HIS A 48 -1.016 12.085 1.695 1.00 0.00 C ATOM 675 ND1 HIS A 48 -1.798 13.218 1.773 1.00 0.00 N ATOM 676 CD2 HIS A 48 -1.759 11.161 1.042 1.00 0.00 C ATOM 677 CE1 HIS A 48 -2.963 12.987 1.194 1.00 0.00 C ATOM 678 NE2 HIS A 48 -2.965 11.746 0.741 1.00 0.00 N ATOM 0 H HIS A 48 1.480 9.729 1.372 1.00 0.00 H new ATOM 0 HA HIS A 48 1.266 12.508 0.369 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.421 11.183 2.966 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.577 12.922 2.815 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.459 10.151 0.802 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.776 13.693 1.106 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.736 11.296 0.248 1.00 0.00 H new ATOM 687 N THR A 49 3.479 13.151 1.240 1.00 0.00 N ATOM 688 CA THR A 49 4.799 13.550 1.711 1.00 0.00 C ATOM 689 C THR A 49 4.697 14.440 2.945 1.00 0.00 C ATOM 690 O THR A 49 3.782 15.253 3.079 1.00 0.00 O ATOM 691 CB THR A 49 5.585 14.296 0.617 1.00 0.00 C ATOM 692 OG1 THR A 49 4.813 15.397 0.124 1.00 0.00 O ATOM 693 CG2 THR A 49 5.935 13.362 -0.531 1.00 0.00 C ATOM 0 H THR A 49 3.117 13.717 0.472 1.00 0.00 H new ATOM 0 HA THR A 49 5.332 12.635 1.970 1.00 0.00 H new ATOM 0 HB THR A 49 6.510 14.669 1.056 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.231 15.090 -0.602 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.490 13.912 -1.291 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.547 12.541 -0.158 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.019 12.963 -0.968 1.00 0.00 H new ATOM 701 N PRO A 50 5.657 14.286 3.868 1.00 0.00 N ATOM 702 CA PRO A 50 5.698 15.069 5.107 1.00 0.00 C ATOM 703 C PRO A 50 6.038 16.534 4.856 1.00 0.00 C ATOM 704 O PRO A 50 6.069 17.341 5.784 1.00 0.00 O ATOM 705 CB PRO A 50 6.807 14.393 5.917 1.00 0.00 C ATOM 706 CG PRO A 50 7.685 13.754 4.898 1.00 0.00 C ATOM 707 CD PRO A 50 6.778 13.336 3.774 1.00 0.00 C ATOM 0 HA PRO A 50 4.732 15.085 5.612 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.358 15.118 6.516 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.399 13.654 6.607 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.446 14.451 4.547 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.208 12.895 5.317 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.279 13.400 2.808 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.442 12.306 3.891 1.00 0.00 H new ATOM 715 N SER A 51 6.292 16.870 3.595 1.00 0.00 N ATOM 716 CA SER A 51 6.633 18.238 3.223 1.00 0.00 C ATOM 717 C SER A 51 5.374 19.065 2.981 1.00 0.00 C ATOM 718 O SER A 51 5.329 20.254 3.296 1.00 0.00 O ATOM 719 CB SER A 51 7.509 18.244 1.969 1.00 0.00 C ATOM 720 OG SER A 51 6.933 17.459 0.940 1.00 0.00 O ATOM 0 H SER A 51 6.268 16.214 2.814 1.00 0.00 H new ATOM 0 HA SER A 51 7.188 18.685 4.048 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.641 19.268 1.619 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.500 17.860 2.212 1.00 0.00 H new ATOM 0 HG SER A 51 7.512 17.481 0.149 1.00 0.00 H new ATOM 726 N GLY A 52 4.352 18.426 2.419 1.00 0.00 N ATOM 727 CA GLY A 52 3.106 19.117 2.144 1.00 0.00 C ATOM 728 C GLY A 52 2.681 18.992 0.694 1.00 0.00 C ATOM 729 O GLY A 52 2.006 19.871 0.160 1.00 0.00 O ATOM 0 H GLY A 52 4.365 17.442 2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.322 18.714 2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.215 20.171 2.398 1.00 0.00 H new ATOM 733 N ALA A 53 3.080 17.897 0.055 1.00 0.00 N ATOM 734 CA ALA A 53 2.736 17.659 -1.341 1.00 0.00 C ATOM 735 C ALA A 53 2.085 16.292 -1.522 1.00 0.00 C ATOM 736 O ALA A 53 2.630 15.273 -1.097 1.00 0.00 O ATOM 737 CB ALA A 53 3.975 17.776 -2.217 1.00 0.00 C ATOM 0 H ALA A 53 3.642 17.161 0.482 1.00 0.00 H new ATOM 0 HA ALA A 53 2.015 18.418 -1.646 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.704 17.596 -3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.396 18.777 -2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.714 17.039 -1.902 1.00 0.00 H new ATOM 743 N VAL A 54 0.916 16.277 -2.154 1.00 0.00 N ATOM 744 CA VAL A 54 0.190 15.035 -2.391 1.00 0.00 C ATOM 745 C VAL A 54 0.718 14.318 -3.629 1.00 0.00 C ATOM 746 O VAL A 54 0.453 14.732 -4.757 1.00 0.00 O ATOM 747 CB VAL A 54 -1.319 15.290 -2.563 1.00 0.00 C ATOM 748 CG1 VAL A 54 -2.045 13.995 -2.894 1.00 0.00 C ATOM 749 CG2 VAL A 54 -1.897 15.929 -1.309 1.00 0.00 C ATOM 0 H VAL A 54 0.451 17.112 -2.511 1.00 0.00 H new ATOM 0 HA VAL A 54 0.346 14.405 -1.515 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.461 15.981 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.110 14.195 -3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.648 13.582 -3.822 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.898 13.278 -2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.964 16.102 -1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.745 15.264 -0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.397 16.879 -1.121 1.00 0.00 H new ATOM 759 N GLU A 55 1.465 13.241 -3.408 1.00 0.00 N ATOM 760 CA GLU A 55 2.030 12.466 -4.507 1.00 0.00 C ATOM 761 C GLU A 55 1.035 11.422 -5.005 1.00 0.00 C ATOM 762 O GLU A 55 0.051 11.118 -4.332 1.00 0.00 O ATOM 763 CB GLU A 55 3.326 11.782 -4.065 1.00 0.00 C ATOM 764 CG GLU A 55 4.565 12.637 -4.267 1.00 0.00 C ATOM 765 CD GLU A 55 5.797 12.043 -3.612 1.00 0.00 C ATOM 766 OE1 GLU A 55 5.897 10.800 -3.553 1.00 0.00 O ATOM 767 OE2 GLU A 55 6.661 12.822 -3.158 1.00 0.00 O ATOM 0 H GLU A 55 1.693 12.886 -2.480 1.00 0.00 H new ATOM 0 HA GLU A 55 2.250 13.152 -5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.246 11.517 -3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.443 10.851 -4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.748 12.758 -5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.386 13.632 -3.860 1.00 0.00 H new ATOM 774 N GLU A 56 1.299 10.879 -6.189 1.00 0.00 N ATOM 775 CA GLU A 56 0.426 9.870 -6.778 1.00 0.00 C ATOM 776 C GLU A 56 1.176 8.558 -6.990 1.00 0.00 C ATOM 777 O GLU A 56 2.406 8.520 -6.948 1.00 0.00 O ATOM 778 CB GLU A 56 -0.140 10.368 -8.110 1.00 0.00 C ATOM 779 CG GLU A 56 0.874 11.116 -8.960 1.00 0.00 C ATOM 780 CD GLU A 56 0.230 11.874 -10.104 1.00 0.00 C ATOM 781 OE1 GLU A 56 -0.492 12.857 -9.832 1.00 0.00 O ATOM 782 OE2 GLU A 56 0.446 11.485 -11.271 1.00 0.00 O ATOM 0 H GLU A 56 2.110 11.120 -6.759 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.397 9.690 -6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.518 9.516 -8.676 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.989 11.022 -7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.425 11.815 -8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.599 10.408 -9.361 1.00 0.00 H new ATOM 789 N CYS A 57 0.426 7.486 -7.217 1.00 0.00 N ATOM 790 CA CYS A 57 1.019 6.170 -7.434 1.00 0.00 C ATOM 791 C CYS A 57 0.714 5.662 -8.839 1.00 0.00 C ATOM 792 O CYS A 57 0.100 6.363 -9.644 1.00 0.00 O ATOM 793 CB CYS A 57 0.499 5.176 -6.395 1.00 0.00 C ATOM 794 SG CYS A 57 0.639 5.752 -4.687 1.00 0.00 S ATOM 0 H CYS A 57 -0.593 7.501 -7.256 1.00 0.00 H new ATOM 0 HA CYS A 57 2.100 6.263 -7.328 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.547 4.958 -6.609 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.047 4.240 -6.497 1.00 0.00 H new ATOM 0 HG CYS A 57 1.611 5.123 -4.095 1.00 0.00 H new ATOM 800 N TYR A 58 1.148 4.440 -9.128 1.00 0.00 N ATOM 801 CA TYR A 58 0.925 3.839 -10.437 1.00 0.00 C ATOM 802 C TYR A 58 0.186 2.511 -10.309 1.00 0.00 C ATOM 803 O TYR A 58 0.746 1.518 -9.845 1.00 0.00 O ATOM 804 CB TYR A 58 2.258 3.627 -11.157 1.00 0.00 C ATOM 805 CG TYR A 58 2.112 3.387 -12.643 1.00 0.00 C ATOM 806 CD1 TYR A 58 2.121 4.447 -13.541 1.00 0.00 C ATOM 807 CD2 TYR A 58 1.967 2.101 -13.148 1.00 0.00 C ATOM 808 CE1 TYR A 58 1.987 4.233 -14.900 1.00 0.00 C ATOM 809 CE2 TYR A 58 1.834 1.878 -14.505 1.00 0.00 C ATOM 810 CZ TYR A 58 1.844 2.947 -15.377 1.00 0.00 C ATOM 811 OH TYR A 58 1.712 2.729 -16.729 1.00 0.00 O ATOM 0 H TYR A 58 1.656 3.846 -8.473 1.00 0.00 H new ATOM 0 HA TYR A 58 0.308 4.521 -11.022 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.890 4.501 -10.999 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.772 2.777 -10.709 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.235 5.455 -13.171 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.958 1.262 -12.469 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.994 5.068 -15.585 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.723 0.872 -14.881 1.00 0.00 H new ATOM 0 HH TYR A 58 1.622 1.768 -16.898 1.00 0.00 H new ATOM 821 N VAL A 59 -1.077 2.501 -10.724 1.00 0.00 N ATOM 822 CA VAL A 59 -1.894 1.296 -10.658 1.00 0.00 C ATOM 823 C VAL A 59 -2.648 1.071 -11.964 1.00 0.00 C ATOM 824 O VAL A 59 -3.594 1.792 -12.279 1.00 0.00 O ATOM 825 CB VAL A 59 -2.906 1.367 -9.499 1.00 0.00 C ATOM 826 CG1 VAL A 59 -3.642 2.699 -9.514 1.00 0.00 C ATOM 827 CG2 VAL A 59 -3.887 0.207 -9.577 1.00 0.00 C ATOM 0 H VAL A 59 -1.556 3.315 -11.110 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.214 0.462 -10.486 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.361 1.290 -8.558 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.353 2.731 -8.688 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.924 3.512 -9.407 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.177 2.809 -10.457 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.595 0.273 -8.751 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.428 0.251 -10.522 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.342 -0.735 -9.514 1.00 0.00 H new ATOM 917 N LYS A 66 -6.194 -8.688 -9.261 1.00 0.00 N ATOM 918 CA LYS A 66 -5.119 -8.198 -8.406 1.00 0.00 C ATOM 919 C LYS A 66 -4.591 -6.858 -8.909 1.00 0.00 C ATOM 920 O LYS A 66 -4.254 -6.714 -10.085 1.00 0.00 O ATOM 921 CB LYS A 66 -3.980 -9.219 -8.350 1.00 0.00 C ATOM 922 CG LYS A 66 -4.322 -10.469 -7.558 1.00 0.00 C ATOM 923 CD LYS A 66 -3.196 -11.489 -7.612 1.00 0.00 C ATOM 924 CE LYS A 66 -3.270 -12.462 -6.446 1.00 0.00 C ATOM 925 NZ LYS A 66 -2.477 -13.696 -6.703 1.00 0.00 N ATOM 0 HA LYS A 66 -5.522 -8.056 -7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.710 -9.506 -9.366 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.102 -8.748 -7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.521 -10.200 -6.521 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.236 -10.913 -7.954 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.247 -12.040 -8.551 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.236 -10.974 -7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.902 -11.975 -5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.310 -12.730 -6.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.553 -14.334 -5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.844 -14.174 -7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.480 -13.443 -6.853 1.00 0.00 H new ATOM 939 N HIS A 67 -4.519 -5.881 -8.011 1.00 0.00 N ATOM 940 CA HIS A 67 -4.029 -4.553 -8.364 1.00 0.00 C ATOM 941 C HIS A 67 -2.575 -4.379 -7.936 1.00 0.00 C ATOM 942 O HIS A 67 -2.186 -4.783 -6.840 1.00 0.00 O ATOM 943 CB HIS A 67 -4.897 -3.477 -7.712 1.00 0.00 C ATOM 944 CG HIS A 67 -6.206 -3.260 -8.407 1.00 0.00 C ATOM 945 ND1 HIS A 67 -6.394 -2.292 -9.371 1.00 0.00 N ATOM 946 CD2 HIS A 67 -7.394 -3.894 -8.274 1.00 0.00 C ATOM 947 CE1 HIS A 67 -7.643 -2.339 -9.801 1.00 0.00 C ATOM 948 NE2 HIS A 67 -8.271 -3.303 -9.151 1.00 0.00 N ATOM 0 H HIS A 67 -4.793 -5.983 -7.034 1.00 0.00 H new ATOM 0 HA HIS A 67 -4.085 -4.448 -9.447 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -5.087 -3.754 -6.675 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.344 -2.538 -7.694 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.612 -4.712 -7.603 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.076 -1.699 -10.555 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.248 -3.566 -9.280 1.00 0.00 H new ATOM 957 N THR A 68 -1.774 -3.775 -8.809 1.00 0.00 N ATOM 958 CA THR A 68 -0.363 -3.549 -8.523 1.00 0.00 C ATOM 959 C THR A 68 -0.058 -2.061 -8.405 1.00 0.00 C ATOM 960 O THR A 68 -0.387 -1.277 -9.296 1.00 0.00 O ATOM 961 CB THR A 68 0.536 -4.161 -9.614 1.00 0.00 C ATOM 962 OG1 THR A 68 0.232 -5.551 -9.776 1.00 0.00 O ATOM 963 CG2 THR A 68 2.006 -3.996 -9.259 1.00 0.00 C ATOM 0 H THR A 68 -2.079 -3.434 -9.720 1.00 0.00 H new ATOM 0 HA THR A 68 -0.151 -4.037 -7.572 1.00 0.00 H new ATOM 0 HB THR A 68 0.344 -3.636 -10.550 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.806 -5.932 -10.472 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.621 -4.436 -10.044 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.241 -2.936 -9.165 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.211 -4.498 -8.313 1.00 0.00 H new ATOM 971 N ILE A 69 0.574 -1.677 -7.300 1.00 0.00 N ATOM 972 CA ILE A 69 0.925 -0.282 -7.067 1.00 0.00 C ATOM 973 C ILE A 69 2.428 -0.063 -7.203 1.00 0.00 C ATOM 974 O ILE A 69 3.223 -0.962 -6.928 1.00 0.00 O ATOM 975 CB ILE A 69 0.473 0.187 -5.671 1.00 0.00 C ATOM 976 CG1 ILE A 69 -0.797 -0.553 -5.247 1.00 0.00 C ATOM 977 CG2 ILE A 69 0.244 1.691 -5.666 1.00 0.00 C ATOM 978 CD1 ILE A 69 -1.940 -0.402 -6.227 1.00 0.00 C ATOM 0 H ILE A 69 0.853 -2.313 -6.553 1.00 0.00 H new ATOM 0 HA ILE A 69 0.405 0.305 -7.824 1.00 0.00 H new ATOM 0 HB ILE A 69 1.261 -0.043 -4.954 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.568 -1.612 -5.128 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.114 -0.184 -4.272 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.075 2.007 -4.673 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.171 2.201 -5.929 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.528 1.944 -6.393 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.807 -0.952 -5.862 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.196 0.653 -6.328 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.641 -0.797 -7.198 1.00 0.00 H new ATOM 990 N ARG A 70 2.810 1.137 -7.626 1.00 0.00 N ATOM 991 CA ARG A 70 4.218 1.474 -7.798 1.00 0.00 C ATOM 992 C ARG A 70 4.460 2.955 -7.520 1.00 0.00 C ATOM 993 O ARG A 70 3.871 3.823 -8.165 1.00 0.00 O ATOM 994 CB ARG A 70 4.678 1.128 -9.215 1.00 0.00 C ATOM 995 CG ARG A 70 6.170 0.857 -9.322 1.00 0.00 C ATOM 996 CD ARG A 70 6.544 0.335 -10.700 1.00 0.00 C ATOM 997 NE ARG A 70 6.230 1.296 -11.754 1.00 0.00 N ATOM 998 CZ ARG A 70 6.499 1.093 -13.038 1.00 0.00 C ATOM 999 NH1 ARG A 70 7.084 -0.032 -13.427 1.00 0.00 N ATOM 1000 NH2 ARG A 70 6.183 2.016 -13.938 1.00 0.00 N ATOM 0 H ARG A 70 2.164 1.892 -7.856 1.00 0.00 H new ATOM 0 HA ARG A 70 4.796 0.888 -7.083 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.132 0.250 -9.561 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.418 1.949 -9.883 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.723 1.774 -9.117 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.464 0.131 -8.564 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.609 0.106 -10.724 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.013 -0.598 -10.890 1.00 0.00 H new ATOM 0 HE ARG A 70 5.779 2.172 -11.489 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.328 -0.744 -12.739 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.289 -0.185 -14.414 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.733 2.883 -13.643 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.390 1.859 -14.924 1.00 0.00 H new ATOM 1014 N PHE A 71 5.330 3.236 -6.556 1.00 0.00 N ATOM 1015 CA PHE A 71 5.649 4.612 -6.191 1.00 0.00 C ATOM 1016 C PHE A 71 6.980 4.682 -5.447 1.00 0.00 C ATOM 1017 O PHE A 71 7.454 3.683 -4.906 1.00 0.00 O ATOM 1018 CB PHE A 71 4.536 5.203 -5.325 1.00 0.00 C ATOM 1019 CG PHE A 71 4.195 4.361 -4.129 1.00 0.00 C ATOM 1020 CD1 PHE A 71 5.048 4.305 -3.038 1.00 0.00 C ATOM 1021 CD2 PHE A 71 3.022 3.624 -4.095 1.00 0.00 C ATOM 1022 CE1 PHE A 71 4.737 3.531 -1.936 1.00 0.00 C ATOM 1023 CE2 PHE A 71 2.706 2.849 -2.995 1.00 0.00 C ATOM 1024 CZ PHE A 71 3.565 2.802 -1.915 1.00 0.00 C ATOM 0 H PHE A 71 5.827 2.530 -6.013 1.00 0.00 H new ATOM 0 HA PHE A 71 5.734 5.195 -7.108 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.837 6.194 -4.987 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.642 5.332 -5.935 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.967 4.873 -3.049 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.347 3.656 -4.938 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.410 3.497 -1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.788 2.281 -2.980 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.320 2.196 -1.055 1.00 0.00 H new ATOM 1034 N ILE A 72 7.576 5.870 -5.426 1.00 0.00 N ATOM 1035 CA ILE A 72 8.851 6.071 -4.749 1.00 0.00 C ATOM 1036 C ILE A 72 8.770 7.227 -3.758 1.00 0.00 C ATOM 1037 O ILE A 72 8.275 8.311 -4.068 1.00 0.00 O ATOM 1038 CB ILE A 72 9.984 6.350 -5.754 1.00 0.00 C ATOM 1039 CG1 ILE A 72 10.172 5.154 -6.689 1.00 0.00 C ATOM 1040 CG2 ILE A 72 11.279 6.664 -5.019 1.00 0.00 C ATOM 1041 CD1 ILE A 72 10.961 5.480 -7.937 1.00 0.00 C ATOM 0 H ILE A 72 7.197 6.707 -5.869 1.00 0.00 H new ATOM 0 HA ILE A 72 9.072 5.149 -4.211 1.00 0.00 H new ATOM 0 HB ILE A 72 9.711 7.217 -6.355 1.00 0.00 H new ATOM 0 HG12 ILE A 72 10.679 4.356 -6.147 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.193 4.772 -6.978 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.070 6.859 -5.743 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.137 7.544 -4.391 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.559 5.815 -4.396 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.055 4.585 -8.552 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.445 6.256 -8.502 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.953 5.834 -7.658 1.00 0.00 H new ATOM 1053 N PRO A 73 9.269 6.994 -2.535 1.00 0.00 N ATOM 1054 CA PRO A 73 9.268 8.004 -1.473 1.00 0.00 C ATOM 1055 C PRO A 73 10.237 9.146 -1.758 1.00 0.00 C ATOM 1056 O PRO A 73 11.378 9.136 -1.294 1.00 0.00 O ATOM 1057 CB PRO A 73 9.714 7.220 -0.236 1.00 0.00 C ATOM 1058 CG PRO A 73 10.505 6.079 -0.776 1.00 0.00 C ATOM 1059 CD PRO A 73 9.875 5.726 -2.095 1.00 0.00 C ATOM 0 HA PRO A 73 8.293 8.479 -1.364 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.316 7.839 0.429 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.858 6.870 0.341 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.551 6.356 -0.905 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.482 5.230 -0.093 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.615 5.365 -2.810 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.128 4.940 -1.986 1.00 0.00 H new ATOM 1067 N HIS A 74 9.776 10.131 -2.523 1.00 0.00 N ATOM 1068 CA HIS A 74 10.603 11.281 -2.869 1.00 0.00 C ATOM 1069 C HIS A 74 11.385 11.773 -1.655 1.00 0.00 C ATOM 1070 O HIS A 74 12.463 12.350 -1.792 1.00 0.00 O ATOM 1071 CB HIS A 74 9.736 12.411 -3.424 1.00 0.00 C ATOM 1072 CG HIS A 74 9.396 12.250 -4.874 1.00 0.00 C ATOM 1073 ND1 HIS A 74 9.042 11.040 -5.433 1.00 0.00 N ATOM 1074 CD2 HIS A 74 9.357 13.154 -5.880 1.00 0.00 C ATOM 1075 CE1 HIS A 74 8.801 11.208 -6.722 1.00 0.00 C ATOM 1076 NE2 HIS A 74 8.985 12.482 -7.018 1.00 0.00 N ATOM 0 H HIS A 74 8.835 10.155 -2.915 1.00 0.00 H new ATOM 0 HA HIS A 74 11.313 10.969 -3.635 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.813 12.466 -2.847 1.00 0.00 H new ATOM 0 HB3 HIS A 74 10.256 13.359 -3.285 1.00 0.00 H new ATOM 0 HD1 HIS A 74 8.976 10.155 -4.931 1.00 0.00 H new ATOM 0 HD2 HIS A 74 9.578 14.208 -5.802 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.504 10.435 -7.415 1.00 0.00 H new ATOM 1085 N GLU A 75 10.833 11.542 -0.468 1.00 0.00 N ATOM 1086 CA GLU A 75 11.478 11.963 0.770 1.00 0.00 C ATOM 1087 C GLU A 75 11.425 10.854 1.816 1.00 0.00 C ATOM 1088 O GLU A 75 10.813 9.809 1.598 1.00 0.00 O ATOM 1089 CB GLU A 75 10.809 13.227 1.315 1.00 0.00 C ATOM 1090 CG GLU A 75 10.262 14.141 0.233 1.00 0.00 C ATOM 1091 CD GLU A 75 11.345 14.963 -0.440 1.00 0.00 C ATOM 1092 OE1 GLU A 75 12.490 14.474 -0.531 1.00 0.00 O ATOM 1093 OE2 GLU A 75 11.046 16.095 -0.875 1.00 0.00 O ATOM 0 H GLU A 75 9.941 11.066 -0.338 1.00 0.00 H new ATOM 0 HA GLU A 75 12.523 12.180 0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.996 12.939 1.981 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.531 13.780 1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.747 13.541 -0.518 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.521 14.811 0.669 1.00 0.00 H new ATOM 1100 N ASN A 76 12.072 11.090 2.953 1.00 0.00 N ATOM 1101 CA ASN A 76 12.100 10.111 4.034 1.00 0.00 C ATOM 1102 C ASN A 76 10.918 10.310 4.979 1.00 0.00 C ATOM 1103 O ASN A 76 10.089 11.195 4.775 1.00 0.00 O ATOM 1104 CB ASN A 76 13.413 10.217 4.812 1.00 0.00 C ATOM 1105 CG ASN A 76 14.590 9.657 4.038 1.00 0.00 C ATOM 1106 OD1 ASN A 76 14.561 8.356 3.774 1.00 0.00 O flip ATOM 1107 ND2 ASN A 76 15.515 10.387 3.680 1.00 0.00 N flip ATOM 0 H ASN A 76 12.584 11.950 3.150 1.00 0.00 H new ATOM 0 HA ASN A 76 12.026 9.117 3.593 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.605 11.262 5.054 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.316 9.683 5.757 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.496 11.382 3.905 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.300 9.997 3.159 1.00 0.00 H new ATOM 1114 N GLY A 77 10.849 9.478 6.014 1.00 0.00 N ATOM 1115 CA GLY A 77 9.766 9.579 6.975 1.00 0.00 C ATOM 1116 C GLY A 77 8.657 8.583 6.706 1.00 0.00 C ATOM 1117 O GLY A 77 8.670 7.887 5.690 1.00 0.00 O ATOM 0 H GLY A 77 11.523 8.736 6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.159 9.418 7.979 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.357 10.589 6.951 1.00 0.00 H new ATOM 1121 N VAL A 78 7.693 8.511 7.618 1.00 0.00 N ATOM 1122 CA VAL A 78 6.571 7.591 7.475 1.00 0.00 C ATOM 1123 C VAL A 78 5.462 8.205 6.627 1.00 0.00 C ATOM 1124 O VAL A 78 4.646 8.983 7.123 1.00 0.00 O ATOM 1125 CB VAL A 78 5.993 7.192 8.845 1.00 0.00 C ATOM 1126 CG1 VAL A 78 4.895 6.152 8.680 1.00 0.00 C ATOM 1127 CG2 VAL A 78 7.095 6.675 9.758 1.00 0.00 C ATOM 0 H VAL A 78 7.667 9.079 8.465 1.00 0.00 H new ATOM 0 HA VAL A 78 6.954 6.700 6.978 1.00 0.00 H new ATOM 0 HB VAL A 78 5.555 8.077 9.306 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.499 5.883 9.659 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.094 6.563 8.065 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.304 5.264 8.197 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.669 6.398 10.722 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.564 5.802 9.304 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.843 7.454 9.903 1.00 0.00 H new ATOM 1137 N HIS A 79 5.438 7.851 5.346 1.00 0.00 N ATOM 1138 CA HIS A 79 4.428 8.366 4.429 1.00 0.00 C ATOM 1139 C HIS A 79 3.062 7.754 4.725 1.00 0.00 C ATOM 1140 O HIS A 79 2.955 6.786 5.477 1.00 0.00 O ATOM 1141 CB HIS A 79 4.828 8.077 2.982 1.00 0.00 C ATOM 1142 CG HIS A 79 5.977 8.907 2.500 1.00 0.00 C ATOM 1143 ND1 HIS A 79 7.128 9.098 3.235 1.00 0.00 N ATOM 1144 CD2 HIS A 79 6.148 9.598 1.349 1.00 0.00 C ATOM 1145 CE1 HIS A 79 7.957 9.871 2.557 1.00 0.00 C ATOM 1146 NE2 HIS A 79 7.387 10.189 1.409 1.00 0.00 N ATOM 0 H HIS A 79 6.107 7.209 4.920 1.00 0.00 H new ATOM 0 HA HIS A 79 4.360 9.445 4.570 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.089 7.023 2.890 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.968 8.251 2.335 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.442 9.671 0.535 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.935 10.189 2.886 1.00 0.00 H new ATOM 0 HE2 HIS A 79 7.799 10.777 0.685 1.00 0.00 H new ATOM 1155 N SER A 80 2.021 8.325 4.128 1.00 0.00 N ATOM 1156 CA SER A 80 0.662 7.838 4.331 1.00 0.00 C ATOM 1157 C SER A 80 0.066 7.328 3.022 1.00 0.00 C ATOM 1158 O SER A 80 -0.240 8.109 2.121 1.00 0.00 O ATOM 1159 CB SER A 80 -0.219 8.948 4.907 1.00 0.00 C ATOM 1160 OG SER A 80 -0.161 8.963 6.323 1.00 0.00 O ATOM 0 H SER A 80 2.093 9.125 3.500 1.00 0.00 H new ATOM 0 HA SER A 80 0.701 7.010 5.039 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.105 9.913 4.517 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.250 8.803 4.584 1.00 0.00 H new ATOM 0 HG SER A 80 -0.731 9.682 6.666 1.00 0.00 H new ATOM 1166 N ILE A 81 -0.095 6.013 2.926 1.00 0.00 N ATOM 1167 CA ILE A 81 -0.654 5.398 1.729 1.00 0.00 C ATOM 1168 C ILE A 81 -2.176 5.336 1.803 1.00 0.00 C ATOM 1169 O ILE A 81 -2.741 4.495 2.503 1.00 0.00 O ATOM 1170 CB ILE A 81 -0.104 3.975 1.517 1.00 0.00 C ATOM 1171 CG1 ILE A 81 1.382 3.921 1.877 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -0.323 3.531 0.078 1.00 0.00 C ATOM 1173 CD1 ILE A 81 2.269 4.653 0.894 1.00 0.00 C ATOM 0 H ILE A 81 0.154 5.353 3.663 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.358 6.022 0.886 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.643 3.291 2.173 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.523 4.349 2.870 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.697 2.879 1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.071 2.524 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.390 3.536 -0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.193 4.215 -0.596 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.308 4.573 1.212 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.157 4.211 -0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.981 5.704 0.857 1.00 0.00 H new ATOM 1185 N ASP A 82 -2.835 6.230 1.074 1.00 0.00 N ATOM 1186 CA ASP A 82 -4.292 6.276 1.054 1.00 0.00 C ATOM 1187 C ASP A 82 -4.854 5.275 0.049 1.00 0.00 C ATOM 1188 O ASP A 82 -4.684 5.431 -1.160 1.00 0.00 O ATOM 1189 CB ASP A 82 -4.775 7.687 0.711 1.00 0.00 C ATOM 1190 CG ASP A 82 -4.692 8.631 1.895 1.00 0.00 C ATOM 1191 OD1 ASP A 82 -3.772 8.464 2.722 1.00 0.00 O ATOM 1192 OD2 ASP A 82 -5.547 9.535 1.994 1.00 0.00 O ATOM 0 H ASP A 82 -2.383 6.933 0.489 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.652 6.008 2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.176 8.084 -0.109 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.806 7.640 0.359 1.00 0.00 H new ATOM 1197 N VAL A 83 -5.523 4.245 0.558 1.00 0.00 N ATOM 1198 CA VAL A 83 -6.110 3.218 -0.294 1.00 0.00 C ATOM 1199 C VAL A 83 -7.626 3.177 -0.141 1.00 0.00 C ATOM 1200 O VAL A 83 -8.147 3.126 0.973 1.00 0.00 O ATOM 1201 CB VAL A 83 -5.534 1.826 0.027 1.00 0.00 C ATOM 1202 CG1 VAL A 83 -6.300 0.746 -0.721 1.00 0.00 C ATOM 1203 CG2 VAL A 83 -4.052 1.772 -0.313 1.00 0.00 C ATOM 0 H VAL A 83 -5.672 4.100 1.557 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.859 3.478 -1.322 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.646 1.643 1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.879 -0.231 -0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.348 0.772 -0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.222 0.922 -1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.661 0.782 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.915 1.976 -1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.517 2.520 0.272 1.00 0.00 H new ATOM 1213 N LYS A 84 -8.330 3.198 -1.268 1.00 0.00 N ATOM 1214 CA LYS A 84 -9.787 3.161 -1.260 1.00 0.00 C ATOM 1215 C LYS A 84 -10.306 2.002 -2.105 1.00 0.00 C ATOM 1216 O LYS A 84 -9.587 1.463 -2.947 1.00 0.00 O ATOM 1217 CB LYS A 84 -10.354 4.482 -1.785 1.00 0.00 C ATOM 1218 CG LYS A 84 -10.395 5.584 -0.740 1.00 0.00 C ATOM 1219 CD LYS A 84 -11.517 6.571 -1.015 1.00 0.00 C ATOM 1220 CE LYS A 84 -11.061 7.689 -1.940 1.00 0.00 C ATOM 1221 NZ LYS A 84 -11.163 7.298 -3.374 1.00 0.00 N ATOM 0 H LYS A 84 -7.914 3.240 -2.199 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.116 3.014 -0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.752 4.816 -2.630 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.363 4.311 -2.161 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.530 5.145 0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.441 6.111 -0.727 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -12.362 6.048 -1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.868 6.996 -0.075 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.666 8.578 -1.762 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.030 7.954 -1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.092 8.147 -3.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.391 6.642 -3.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.077 6.832 -3.543 1.00 0.00 H new ATOM 1235 N PHE A 85 -11.559 1.623 -1.876 1.00 0.00 N ATOM 1236 CA PHE A 85 -12.174 0.528 -2.617 1.00 0.00 C ATOM 1237 C PHE A 85 -13.600 0.883 -3.028 1.00 0.00 C ATOM 1238 O PHE A 85 -14.504 0.930 -2.195 1.00 0.00 O ATOM 1239 CB PHE A 85 -12.178 -0.749 -1.773 1.00 0.00 C ATOM 1240 CG PHE A 85 -12.396 -1.998 -2.577 1.00 0.00 C ATOM 1241 CD1 PHE A 85 -11.352 -2.575 -3.283 1.00 0.00 C ATOM 1242 CD2 PHE A 85 -13.645 -2.597 -2.627 1.00 0.00 C ATOM 1243 CE1 PHE A 85 -11.549 -3.725 -4.023 1.00 0.00 C ATOM 1244 CE2 PHE A 85 -13.848 -3.747 -3.365 1.00 0.00 C ATOM 1245 CZ PHE A 85 -12.799 -4.311 -4.065 1.00 0.00 C ATOM 0 H PHE A 85 -12.168 2.058 -1.183 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.586 0.358 -3.519 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.228 -0.828 -1.244 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.959 -0.673 -1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.373 -2.120 -3.254 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -14.469 -2.160 -2.083 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.727 -4.165 -4.568 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.826 -4.205 -3.395 1.00 0.00 H new ATOM 0 HZ PHE A 85 -12.956 -5.209 -4.644 1.00 0.00 H new ATOM 1255 N ASN A 86 -13.792 1.132 -4.320 1.00 0.00 N ATOM 1256 CA ASN A 86 -15.107 1.484 -4.843 1.00 0.00 C ATOM 1257 C ASN A 86 -15.757 2.573 -3.993 1.00 0.00 C ATOM 1258 O ASN A 86 -16.980 2.639 -3.880 1.00 0.00 O ATOM 1259 CB ASN A 86 -16.009 0.249 -4.886 1.00 0.00 C ATOM 1260 CG ASN A 86 -17.153 0.403 -5.871 1.00 0.00 C ATOM 1261 OD1 ASN A 86 -18.265 0.772 -5.495 1.00 0.00 O ATOM 1262 ND2 ASN A 86 -16.882 0.119 -7.140 1.00 0.00 N ATOM 0 H ASN A 86 -13.054 1.096 -5.023 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.977 1.867 -5.855 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -15.414 -0.623 -5.158 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -16.412 0.062 -3.891 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.611 0.204 -7.848 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.945 -0.184 -7.406 1.00 0.00 H new ATOM 1269 N GLY A 87 -14.928 3.426 -3.398 1.00 0.00 N ATOM 1270 CA GLY A 87 -15.440 4.500 -2.568 1.00 0.00 C ATOM 1271 C GLY A 87 -15.598 4.086 -1.118 1.00 0.00 C ATOM 1272 O GLY A 87 -16.644 4.314 -0.511 1.00 0.00 O ATOM 0 H GLY A 87 -13.912 3.392 -3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -14.766 5.354 -2.627 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -16.404 4.827 -2.957 1.00 0.00 H new ATOM 1276 N ALA A 88 -14.557 3.476 -0.561 1.00 0.00 N ATOM 1277 CA ALA A 88 -14.585 3.030 0.826 1.00 0.00 C ATOM 1278 C ALA A 88 -13.174 2.800 1.358 1.00 0.00 C ATOM 1279 O ALA A 88 -12.444 1.942 0.860 1.00 0.00 O ATOM 1280 CB ALA A 88 -15.413 1.760 0.956 1.00 0.00 C ATOM 0 H ALA A 88 -13.683 3.279 -1.050 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.047 3.815 1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.425 1.438 1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.433 1.955 0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.975 0.975 0.339 1.00 0.00 H new ATOM 1286 N HIS A 89 -12.795 3.573 2.371 1.00 0.00 N ATOM 1287 CA HIS A 89 -11.470 3.454 2.969 1.00 0.00 C ATOM 1288 C HIS A 89 -11.275 2.071 3.585 1.00 0.00 C ATOM 1289 O HIS A 89 -12.059 1.643 4.432 1.00 0.00 O ATOM 1290 CB HIS A 89 -11.270 4.532 4.035 1.00 0.00 C ATOM 1291 CG HIS A 89 -10.683 5.801 3.499 1.00 0.00 C ATOM 1292 ND1 HIS A 89 -9.363 6.155 3.679 1.00 0.00 N ATOM 1293 CD2 HIS A 89 -11.245 6.803 2.783 1.00 0.00 C ATOM 1294 CE1 HIS A 89 -9.138 7.320 3.099 1.00 0.00 C ATOM 1295 NE2 HIS A 89 -10.264 7.735 2.547 1.00 0.00 N ATOM 0 H HIS A 89 -13.386 4.288 2.795 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.729 3.590 2.181 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.230 4.754 4.501 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.619 4.142 4.817 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.273 6.859 2.458 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.194 7.844 3.079 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -10.385 8.606 2.030 1.00 0.00 H new ATOM 1304 N ILE A 90 -10.227 1.379 3.152 1.00 0.00 N ATOM 1305 CA ILE A 90 -9.929 0.046 3.661 1.00 0.00 C ATOM 1306 C ILE A 90 -9.517 0.097 5.128 1.00 0.00 C ATOM 1307 O ILE A 90 -8.965 1.086 5.610 1.00 0.00 O ATOM 1308 CB ILE A 90 -8.809 -0.630 2.848 1.00 0.00 C ATOM 1309 CG1 ILE A 90 -7.476 0.082 3.085 1.00 0.00 C ATOM 1310 CG2 ILE A 90 -9.158 -0.634 1.367 1.00 0.00 C ATOM 1311 CD1 ILE A 90 -6.270 -0.803 2.862 1.00 0.00 C ATOM 0 H ILE A 90 -9.570 1.719 2.450 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.843 -0.540 3.563 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.711 -1.663 3.181 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.411 0.945 2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.453 0.463 4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.357 -1.115 0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.088 -1.182 1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.280 0.392 1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.360 -0.232 3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.311 -1.653 3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.268 -1.163 1.833 1.00 0.00 H new ATOM 1323 N PRO A 91 -9.789 -0.996 5.857 1.00 0.00 N ATOM 1324 CA PRO A 91 -9.453 -1.102 7.280 1.00 0.00 C ATOM 1325 C PRO A 91 -7.950 -1.199 7.515 1.00 0.00 C ATOM 1326 O PRO A 91 -7.343 -2.245 7.288 1.00 0.00 O ATOM 1327 CB PRO A 91 -10.147 -2.395 7.713 1.00 0.00 C ATOM 1328 CG PRO A 91 -10.259 -3.201 6.465 1.00 0.00 C ATOM 1329 CD PRO A 91 -10.445 -2.212 5.348 1.00 0.00 C ATOM 0 HA PRO A 91 -9.772 -0.223 7.841 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.568 -2.920 8.473 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.128 -2.193 8.143 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.364 -3.803 6.308 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.102 -3.890 6.520 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -9.985 -2.559 4.423 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.500 -2.040 5.135 1.00 0.00 H new ATOM 1337 N GLY A 92 -7.354 -0.102 7.972 1.00 0.00 N ATOM 1338 CA GLY A 92 -5.926 -0.086 8.230 1.00 0.00 C ATOM 1339 C GLY A 92 -5.221 1.055 7.522 1.00 0.00 C ATOM 1340 O GLY A 92 -4.080 1.385 7.846 1.00 0.00 O ATOM 0 H GLY A 92 -7.835 0.776 8.168 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.755 -0.004 9.303 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.491 -1.033 7.909 1.00 0.00 H new ATOM 1344 N SER A 93 -5.902 1.658 6.552 1.00 0.00 N ATOM 1345 CA SER A 93 -5.332 2.764 5.793 1.00 0.00 C ATOM 1346 C SER A 93 -5.627 4.098 6.472 1.00 0.00 C ATOM 1347 O SER A 93 -6.615 4.253 7.191 1.00 0.00 O ATOM 1348 CB SER A 93 -5.886 2.771 4.367 1.00 0.00 C ATOM 1349 OG SER A 93 -5.964 4.091 3.856 1.00 0.00 O ATOM 0 H SER A 93 -6.849 1.399 6.274 1.00 0.00 H new ATOM 0 HA SER A 93 -4.251 2.627 5.755 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.248 2.166 3.723 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.876 2.314 4.356 1.00 0.00 H new ATOM 0 HG SER A 93 -6.792 4.195 3.342 1.00 0.00 H new ATOM 1355 N PRO A 94 -4.751 5.087 6.239 1.00 0.00 N ATOM 1356 CA PRO A 94 -3.572 4.915 5.385 1.00 0.00 C ATOM 1357 C PRO A 94 -2.526 4.004 6.018 1.00 0.00 C ATOM 1358 O PRO A 94 -2.323 4.025 7.232 1.00 0.00 O ATOM 1359 CB PRO A 94 -3.027 6.338 5.242 1.00 0.00 C ATOM 1360 CG PRO A 94 -3.507 7.051 6.459 1.00 0.00 C ATOM 1361 CD PRO A 94 -4.844 6.449 6.792 1.00 0.00 C ATOM 0 HA PRO A 94 -3.822 4.443 4.435 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -1.939 6.341 5.185 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.396 6.814 4.333 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.807 6.927 7.285 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.596 8.122 6.274 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -5.022 6.435 7.867 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.662 7.011 6.341 1.00 0.00 H new ATOM 1369 N PHE A 95 -1.863 3.206 5.188 1.00 0.00 N ATOM 1370 CA PHE A 95 -0.837 2.287 5.667 1.00 0.00 C ATOM 1371 C PHE A 95 0.459 3.031 5.976 1.00 0.00 C ATOM 1372 O PHE A 95 1.133 3.528 5.074 1.00 0.00 O ATOM 1373 CB PHE A 95 -0.576 1.194 4.628 1.00 0.00 C ATOM 1374 CG PHE A 95 -1.644 0.140 4.586 1.00 0.00 C ATOM 1375 CD1 PHE A 95 -1.952 -0.601 5.716 1.00 0.00 C ATOM 1376 CD2 PHE A 95 -2.342 -0.112 3.415 1.00 0.00 C ATOM 1377 CE1 PHE A 95 -2.935 -1.571 5.680 1.00 0.00 C ATOM 1378 CE2 PHE A 95 -3.326 -1.081 3.373 1.00 0.00 C ATOM 1379 CZ PHE A 95 -3.622 -1.812 4.506 1.00 0.00 C ATOM 0 H PHE A 95 -2.018 3.177 4.180 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.198 1.826 6.586 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.491 1.653 3.643 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.382 0.721 4.843 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.417 -0.418 6.636 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.114 0.456 2.525 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.166 -2.140 6.568 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.863 -1.266 2.455 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.390 -2.571 4.475 1.00 0.00 H new ATOM 1389 N LYS A 96 0.801 3.105 7.258 1.00 0.00 N ATOM 1390 CA LYS A 96 2.015 3.787 7.688 1.00 0.00 C ATOM 1391 C LYS A 96 3.253 2.968 7.337 1.00 0.00 C ATOM 1392 O LYS A 96 3.541 1.956 7.977 1.00 0.00 O ATOM 1393 CB LYS A 96 1.972 4.046 9.196 1.00 0.00 C ATOM 1394 CG LYS A 96 0.844 4.968 9.623 1.00 0.00 C ATOM 1395 CD LYS A 96 1.135 6.413 9.255 1.00 0.00 C ATOM 1396 CE LYS A 96 0.086 7.356 9.823 1.00 0.00 C ATOM 1397 NZ LYS A 96 0.324 7.648 11.264 1.00 0.00 N ATOM 0 H LYS A 96 0.254 2.700 8.018 1.00 0.00 H new ATOM 0 HA LYS A 96 2.071 4.741 7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.869 3.094 9.717 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.922 4.479 9.509 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.085 4.651 9.149 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.696 4.889 10.700 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.119 6.694 9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.167 6.514 8.170 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.092 8.288 9.258 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.903 6.915 9.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.412 8.294 11.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.293 6.762 11.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.257 8.092 11.379 1.00 0.00 H new ATOM 1411 N ILE A 97 3.982 3.413 6.319 1.00 0.00 N ATOM 1412 CA ILE A 97 5.190 2.722 5.885 1.00 0.00 C ATOM 1413 C ILE A 97 6.438 3.522 6.241 1.00 0.00 C ATOM 1414 O ILE A 97 6.522 4.718 5.961 1.00 0.00 O ATOM 1415 CB ILE A 97 5.176 2.462 4.367 1.00 0.00 C ATOM 1416 CG1 ILE A 97 4.921 3.765 3.607 1.00 0.00 C ATOM 1417 CG2 ILE A 97 4.120 1.423 4.018 1.00 0.00 C ATOM 1418 CD1 ILE A 97 5.128 3.643 2.113 1.00 0.00 C ATOM 0 H ILE A 97 3.757 4.249 5.779 1.00 0.00 H new ATOM 0 HA ILE A 97 5.212 1.766 6.408 1.00 0.00 H new ATOM 0 HB ILE A 97 6.151 2.075 4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.900 4.094 3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.583 4.539 3.996 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.122 1.250 2.942 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.342 0.490 4.536 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.139 1.784 4.326 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.930 4.604 1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.157 3.344 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.447 2.893 1.711 1.00 0.00 H new ATOM 1430 N ARG A 98 7.407 2.854 6.858 1.00 0.00 N ATOM 1431 CA ARG A 98 8.652 3.503 7.252 1.00 0.00 C ATOM 1432 C ARG A 98 9.637 3.541 6.087 1.00 0.00 C ATOM 1433 O ARG A 98 9.978 2.507 5.514 1.00 0.00 O ATOM 1434 CB ARG A 98 9.280 2.771 8.440 1.00 0.00 C ATOM 1435 CG ARG A 98 10.100 3.674 9.347 1.00 0.00 C ATOM 1436 CD ARG A 98 11.176 2.893 10.085 1.00 0.00 C ATOM 1437 NE ARG A 98 11.495 3.490 11.379 1.00 0.00 N ATOM 1438 CZ ARG A 98 12.383 2.980 12.225 1.00 0.00 C ATOM 1439 NH1 ARG A 98 13.036 1.869 11.914 1.00 0.00 N ATOM 1440 NH2 ARG A 98 12.619 3.581 13.383 1.00 0.00 N ATOM 0 H ARG A 98 7.354 1.864 7.096 1.00 0.00 H new ATOM 0 HA ARG A 98 8.422 4.527 7.545 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.490 2.302 9.026 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.918 1.970 8.066 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.563 4.463 8.754 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.443 4.161 10.068 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.842 1.866 10.232 1.00 0.00 H new ATOM 0 HD3 ARG A 98 12.077 2.851 9.473 1.00 0.00 H new ATOM 0 HE ARG A 98 11.009 4.346 11.648 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.857 1.404 11.024 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.718 1.479 12.565 1.00 0.00 H new ATOM 0 HH21 ARG A 98 12.118 4.436 13.625 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.301 3.188 14.032 1.00 0.00 H new ATOM 1454 N VAL A 99 10.089 4.742 5.741 1.00 0.00 N ATOM 1455 CA VAL A 99 11.035 4.917 4.645 1.00 0.00 C ATOM 1456 C VAL A 99 12.390 5.392 5.158 1.00 0.00 C ATOM 1457 O VAL A 99 12.561 6.562 5.498 1.00 0.00 O ATOM 1458 CB VAL A 99 10.510 5.924 3.605 1.00 0.00 C ATOM 1459 CG1 VAL A 99 11.550 6.166 2.523 1.00 0.00 C ATOM 1460 CG2 VAL A 99 9.203 5.433 3.000 1.00 0.00 C ATOM 0 H VAL A 99 9.815 5.609 6.204 1.00 0.00 H new ATOM 0 HA VAL A 99 11.151 3.943 4.170 1.00 0.00 H new ATOM 0 HB VAL A 99 10.317 6.872 4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.161 6.880 1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.458 6.566 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 99 11.778 5.226 2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 99 8.847 6.157 2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.366 4.473 2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.458 5.317 3.788 1.00 0.00 H new