USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=13 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 35 GLN : amide:sc= -1.07 K(o=-5.3,f=-6) USER MOD Set 1.2: A 37 ASN : amide:sc= -4.23! C(o=-5.3!,f=-6!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.297 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= -0.112 X(o=-0.11,f=0) USER MOD Single : A 22 THR OG1 : rot 40:sc= 0.738 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -3.59! C(o=-3.6!,f=-5.8!) USER MOD Single : A 28 GLN : amide:sc= -1.51 K(o=-1.5,f=-3!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-1.6) USER MOD Single : A 49 THR OG1 : rot -90:sc= 1.23 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -109:sc= -0.234 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= -0.779 X(o=-0.78,f=-0.3) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc=-0.00289 X(o=-0.0029,f=-0.19) USER MOD Single : A 76 ASN : amide:sc= -3.39! K(o=-3.4!,f=-1.1) USER MOD Single : A 79 HIS : no HE2:sc= -0.791 K(o=-0.79,f=-4.2!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 89 HIS : no HD1:sc= -0.0389 X(o=-0.039,f=0) USER MOD Single : A 93 SER OG : rot -160:sc= -0.952 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 11 -14.564 -4.419 1.064 1.00 0.00 N ATOM 102 CA ALA A 11 -13.277 -3.795 1.345 1.00 0.00 C ATOM 103 C ALA A 11 -12.632 -4.402 2.586 1.00 0.00 C ATOM 104 O ALA A 11 -11.427 -4.267 2.800 1.00 0.00 O ATOM 105 CB ALA A 11 -13.445 -2.292 1.516 1.00 0.00 C ATOM 0 HA ALA A 11 -12.618 -3.981 0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.476 -1.839 1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.855 -1.865 0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.125 -2.094 2.345 1.00 0.00 H new ATOM 111 N ARG A 12 -13.442 -5.068 3.402 1.00 0.00 N ATOM 112 CA ARG A 12 -12.950 -5.694 4.624 1.00 0.00 C ATOM 113 C ARG A 12 -12.157 -6.958 4.306 1.00 0.00 C ATOM 114 O ARG A 12 -11.536 -7.551 5.188 1.00 0.00 O ATOM 115 CB ARG A 12 -14.116 -6.031 5.555 1.00 0.00 C ATOM 116 CG ARG A 12 -15.050 -7.094 5.000 1.00 0.00 C ATOM 117 CD ARG A 12 -15.893 -7.724 6.098 1.00 0.00 C ATOM 118 NE ARG A 12 -17.138 -6.995 6.320 1.00 0.00 N ATOM 119 CZ ARG A 12 -17.868 -7.105 7.424 1.00 0.00 C ATOM 120 NH1 ARG A 12 -17.479 -7.911 8.402 1.00 0.00 N ATOM 121 NH2 ARG A 12 -18.990 -6.408 7.551 1.00 0.00 N ATOM 0 H ARG A 12 -14.442 -5.188 3.239 1.00 0.00 H new ATOM 0 HA ARG A 12 -12.288 -4.987 5.124 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -13.720 -6.371 6.512 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.687 -5.124 5.751 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.703 -6.650 4.248 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.467 -7.867 4.499 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -16.120 -8.757 5.833 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.319 -7.752 7.024 1.00 0.00 H new ATOM 0 HE ARG A 12 -17.465 -6.366 5.587 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.617 -8.448 8.308 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -18.041 -7.994 9.249 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -19.292 -5.787 6.800 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -19.550 -6.493 8.399 1.00 0.00 H new ATOM 135 N ARG A 13 -12.183 -7.364 3.041 1.00 0.00 N ATOM 136 CA ARG A 13 -11.468 -8.558 2.607 1.00 0.00 C ATOM 137 C ARG A 13 -10.135 -8.190 1.962 1.00 0.00 C ATOM 138 O ARG A 13 -9.286 -9.052 1.728 1.00 0.00 O ATOM 139 CB ARG A 13 -12.320 -9.358 1.620 1.00 0.00 C ATOM 140 CG ARG A 13 -13.626 -9.863 2.212 1.00 0.00 C ATOM 141 CD ARG A 13 -14.673 -10.095 1.134 1.00 0.00 C ATOM 142 NE ARG A 13 -15.607 -11.156 1.499 1.00 0.00 N ATOM 143 CZ ARG A 13 -16.663 -10.969 2.283 1.00 0.00 C ATOM 144 NH1 ARG A 13 -16.917 -9.767 2.782 1.00 0.00 N ATOM 145 NH2 ARG A 13 -17.467 -11.985 2.569 1.00 0.00 N ATOM 0 H ARG A 13 -12.691 -6.884 2.299 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.270 -9.171 3.486 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.541 -8.733 0.754 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.741 -10.209 1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.446 -10.792 2.752 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -14.002 -9.140 2.936 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -15.224 -9.171 0.959 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.178 -10.353 0.198 1.00 0.00 H new ATOM 0 HE ARG A 13 -15.439 -12.093 1.132 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -16.301 -8.984 2.564 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -17.728 -9.626 3.384 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -17.275 -12.911 2.187 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -18.277 -11.840 3.171 1.00 0.00 H new ATOM 159 N LEU A 14 -9.957 -6.905 1.677 1.00 0.00 N ATOM 160 CA LEU A 14 -8.727 -6.421 1.059 1.00 0.00 C ATOM 161 C LEU A 14 -7.562 -6.484 2.042 1.00 0.00 C ATOM 162 O LEU A 14 -7.726 -6.223 3.234 1.00 0.00 O ATOM 163 CB LEU A 14 -8.913 -4.986 0.562 1.00 0.00 C ATOM 164 CG LEU A 14 -10.143 -4.732 -0.310 1.00 0.00 C ATOM 165 CD1 LEU A 14 -10.401 -3.240 -0.446 1.00 0.00 C ATOM 166 CD2 LEU A 14 -9.967 -5.371 -1.680 1.00 0.00 C ATOM 0 H LEU A 14 -10.649 -6.179 1.864 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.498 -7.066 0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.964 -4.326 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.026 -4.701 -0.004 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.007 -5.188 0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.280 -3.078 -1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.572 -2.809 0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.536 -2.762 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.852 -5.180 -2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.092 -4.945 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.831 -6.446 -1.565 1.00 0.00 H new ATOM 178 N THR A 15 -6.384 -6.831 1.533 1.00 0.00 N ATOM 179 CA THR A 15 -5.191 -6.928 2.365 1.00 0.00 C ATOM 180 C THR A 15 -3.924 -6.796 1.527 1.00 0.00 C ATOM 181 O THR A 15 -3.951 -6.976 0.310 1.00 0.00 O ATOM 182 CB THR A 15 -5.148 -8.262 3.133 1.00 0.00 C ATOM 183 OG1 THR A 15 -3.870 -8.427 3.758 1.00 0.00 O ATOM 184 CG2 THR A 15 -5.417 -9.433 2.199 1.00 0.00 C ATOM 0 H THR A 15 -6.231 -7.050 0.549 1.00 0.00 H new ATOM 0 HA THR A 15 -5.238 -6.107 3.081 1.00 0.00 H new ATOM 0 HB THR A 15 -5.925 -8.241 3.897 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.852 -9.277 4.246 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.381 -10.365 2.764 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.403 -9.320 1.748 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.660 -9.455 1.415 1.00 0.00 H new ATOM 192 N VAL A 16 -2.814 -6.480 2.187 1.00 0.00 N ATOM 193 CA VAL A 16 -1.536 -6.326 1.503 1.00 0.00 C ATOM 194 C VAL A 16 -0.426 -7.071 2.237 1.00 0.00 C ATOM 195 O VAL A 16 -0.350 -7.041 3.465 1.00 0.00 O ATOM 196 CB VAL A 16 -1.144 -4.842 1.373 1.00 0.00 C ATOM 197 CG1 VAL A 16 0.156 -4.698 0.597 1.00 0.00 C ATOM 198 CG2 VAL A 16 -2.262 -4.052 0.709 1.00 0.00 C ATOM 0 H VAL A 16 -2.774 -6.326 3.194 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.657 -6.751 0.507 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.988 -4.437 2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.416 -3.643 0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.952 -5.229 1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.033 -5.119 -0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.968 -3.006 0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.452 -4.456 -0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.168 -4.127 1.311 1.00 0.00 H new ATOM 208 N THR A 17 0.434 -7.739 1.475 1.00 0.00 N ATOM 209 CA THR A 17 1.540 -8.493 2.052 1.00 0.00 C ATOM 210 C THR A 17 2.872 -8.067 1.445 1.00 0.00 C ATOM 211 O THR A 17 3.799 -7.689 2.161 1.00 0.00 O ATOM 212 CB THR A 17 1.356 -10.008 1.845 1.00 0.00 C ATOM 213 OG1 THR A 17 0.130 -10.439 2.446 1.00 0.00 O ATOM 214 CG2 THR A 17 2.520 -10.782 2.444 1.00 0.00 C ATOM 0 H THR A 17 0.386 -7.773 0.457 1.00 0.00 H new ATOM 0 HA THR A 17 1.545 -8.278 3.121 1.00 0.00 H new ATOM 0 HB THR A 17 1.324 -10.204 0.773 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.019 -11.403 2.309 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.367 -11.849 2.285 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.448 -10.473 1.963 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.580 -10.579 3.513 1.00 0.00 H new ATOM 222 N SER A 18 2.960 -8.129 0.120 1.00 0.00 N ATOM 223 CA SER A 18 4.180 -7.752 -0.584 1.00 0.00 C ATOM 224 C SER A 18 4.800 -6.502 0.034 1.00 0.00 C ATOM 225 O SER A 18 6.020 -6.396 0.158 1.00 0.00 O ATOM 226 CB SER A 18 3.886 -7.510 -2.066 1.00 0.00 C ATOM 227 OG SER A 18 3.570 -8.722 -2.727 1.00 0.00 O ATOM 0 H SER A 18 2.201 -8.437 -0.488 1.00 0.00 H new ATOM 0 HA SER A 18 4.891 -8.573 -0.492 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.056 -6.810 -2.166 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.751 -7.048 -2.541 1.00 0.00 H new ATOM 0 HG SER A 18 3.385 -8.540 -3.672 1.00 0.00 H new ATOM 233 N LEU A 19 3.949 -5.557 0.420 1.00 0.00 N ATOM 234 CA LEU A 19 4.411 -4.313 1.025 1.00 0.00 C ATOM 235 C LEU A 19 5.440 -4.588 2.117 1.00 0.00 C ATOM 236 O LEU A 19 5.289 -5.521 2.904 1.00 0.00 O ATOM 237 CB LEU A 19 3.229 -3.536 1.607 1.00 0.00 C ATOM 238 CG LEU A 19 3.581 -2.374 2.536 1.00 0.00 C ATOM 239 CD1 LEU A 19 3.768 -1.092 1.740 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.505 -2.193 3.596 1.00 0.00 C ATOM 0 H LEU A 19 2.936 -5.629 0.325 1.00 0.00 H new ATOM 0 HA LEU A 19 4.884 -3.714 0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.634 -3.147 0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.596 -4.234 2.155 1.00 0.00 H new ATOM 0 HG LEU A 19 4.521 -2.607 3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.018 -0.276 2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.575 -1.225 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.845 -0.854 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.773 -1.362 4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.551 -1.983 3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.420 -3.105 4.187 1.00 0.00 H new ATOM 252 N GLN A 20 6.485 -3.767 2.158 1.00 0.00 N ATOM 253 CA GLN A 20 7.538 -3.922 3.154 1.00 0.00 C ATOM 254 C GLN A 20 7.383 -2.898 4.274 1.00 0.00 C ATOM 255 O GLN A 20 8.095 -1.895 4.312 1.00 0.00 O ATOM 256 CB GLN A 20 8.914 -3.777 2.501 1.00 0.00 C ATOM 257 CG GLN A 20 10.039 -4.408 3.304 1.00 0.00 C ATOM 258 CD GLN A 20 10.201 -5.888 3.019 1.00 0.00 C ATOM 259 OE1 GLN A 20 10.095 -6.720 3.920 1.00 0.00 O ATOM 260 NE2 GLN A 20 10.460 -6.224 1.761 1.00 0.00 N ATOM 0 H GLN A 20 6.625 -2.989 1.514 1.00 0.00 H new ATOM 0 HA GLN A 20 7.452 -4.920 3.584 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.887 -4.232 1.511 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.130 -2.718 2.359 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.974 -3.894 3.079 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.845 -4.266 4.367 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.539 -5.501 1.046 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.580 -7.205 1.509 1.00 0.00 H new ATOM 269 N GLU A 21 6.448 -3.158 5.182 1.00 0.00 N ATOM 270 CA GLU A 21 6.200 -2.257 6.301 1.00 0.00 C ATOM 271 C GLU A 21 7.501 -1.633 6.796 1.00 0.00 C ATOM 272 O GLU A 21 7.570 -0.429 7.049 1.00 0.00 O ATOM 273 CB GLU A 21 5.513 -3.006 7.445 1.00 0.00 C ATOM 274 CG GLU A 21 4.017 -3.184 7.245 1.00 0.00 C ATOM 275 CD GLU A 21 3.280 -3.435 8.546 1.00 0.00 C ATOM 276 OE1 GLU A 21 3.645 -4.391 9.260 1.00 0.00 O ATOM 277 OE2 GLU A 21 2.338 -2.673 8.850 1.00 0.00 O ATOM 0 H GLU A 21 5.850 -3.984 5.165 1.00 0.00 H new ATOM 0 HA GLU A 21 5.544 -1.459 5.953 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.975 -3.987 7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.685 -2.466 8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.610 -2.293 6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.842 -4.018 6.566 1.00 0.00 H new ATOM 284 N THR A 22 8.533 -2.460 6.934 1.00 0.00 N ATOM 285 CA THR A 22 9.832 -1.992 7.400 1.00 0.00 C ATOM 286 C THR A 22 10.960 -2.562 6.549 1.00 0.00 C ATOM 287 O THR A 22 11.328 -3.728 6.688 1.00 0.00 O ATOM 288 CB THR A 22 10.071 -2.374 8.873 1.00 0.00 C ATOM 289 OG1 THR A 22 9.961 -3.792 9.035 1.00 0.00 O ATOM 290 CG2 THR A 22 9.072 -1.676 9.783 1.00 0.00 C ATOM 0 H THR A 22 8.494 -3.458 6.729 1.00 0.00 H new ATOM 0 HA THR A 22 9.827 -0.906 7.310 1.00 0.00 H new ATOM 0 HB THR A 22 11.075 -2.053 9.150 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.380 -4.242 8.272 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.261 -1.962 10.818 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.178 -0.596 9.679 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.060 -1.969 9.505 1.00 0.00 H new ATOM 298 N GLY A 23 11.508 -1.732 5.667 1.00 0.00 N ATOM 299 CA GLY A 23 12.590 -2.172 4.806 1.00 0.00 C ATOM 300 C GLY A 23 12.625 -1.423 3.489 1.00 0.00 C ATOM 301 O GLY A 23 12.979 -1.989 2.453 1.00 0.00 O ATOM 0 H GLY A 23 11.222 -0.762 5.533 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.540 -2.036 5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.484 -3.239 4.611 1.00 0.00 H new ATOM 305 N LEU A 24 12.255 -0.148 3.525 1.00 0.00 N ATOM 306 CA LEU A 24 12.244 0.680 2.325 1.00 0.00 C ATOM 307 C LEU A 24 13.086 1.937 2.522 1.00 0.00 C ATOM 308 O LEU A 24 12.900 2.677 3.488 1.00 0.00 O ATOM 309 CB LEU A 24 10.809 1.066 1.961 1.00 0.00 C ATOM 310 CG LEU A 24 9.831 -0.093 1.767 1.00 0.00 C ATOM 311 CD1 LEU A 24 8.397 0.413 1.766 1.00 0.00 C ATOM 312 CD2 LEU A 24 10.136 -0.839 0.477 1.00 0.00 C ATOM 0 H LEU A 24 11.958 0.335 4.373 1.00 0.00 H new ATOM 0 HA LEU A 24 12.676 0.100 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.419 1.717 2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.834 1.652 1.042 1.00 0.00 H new ATOM 0 HG LEU A 24 9.950 -0.786 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.715 -0.426 1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.183 0.901 2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.264 1.127 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.430 -1.660 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.047 -0.156 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.150 -1.236 0.517 1.00 0.00 H new ATOM 324 N LYS A 25 14.012 2.173 1.598 1.00 0.00 N ATOM 325 CA LYS A 25 14.881 3.342 1.667 1.00 0.00 C ATOM 326 C LYS A 25 14.321 4.487 0.829 1.00 0.00 C ATOM 327 O LYS A 25 13.263 4.358 0.213 1.00 0.00 O ATOM 328 CB LYS A 25 16.289 2.985 1.186 1.00 0.00 C ATOM 329 CG LYS A 25 17.042 2.069 2.135 1.00 0.00 C ATOM 330 CD LYS A 25 16.729 0.607 1.865 1.00 0.00 C ATOM 331 CE LYS A 25 17.220 -0.286 2.995 1.00 0.00 C ATOM 332 NZ LYS A 25 17.230 -1.723 2.602 1.00 0.00 N ATOM 0 H LYS A 25 14.180 1.570 0.793 1.00 0.00 H new ATOM 0 HA LYS A 25 14.930 3.666 2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.220 2.505 0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.861 3.903 1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 25 18.114 2.238 2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.779 2.314 3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.653 0.481 1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.196 0.301 0.929 1.00 0.00 H new ATOM 0 HE2 LYS A 25 18.225 0.018 3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.580 -0.153 3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.571 -2.298 3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.266 -2.020 2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.860 -1.855 1.785 1.00 0.00 H new ATOM 346 N VAL A 26 15.038 5.606 0.809 1.00 0.00 N ATOM 347 CA VAL A 26 14.614 6.772 0.044 1.00 0.00 C ATOM 348 C VAL A 26 15.000 6.636 -1.424 1.00 0.00 C ATOM 349 O VAL A 26 16.122 6.249 -1.748 1.00 0.00 O ATOM 350 CB VAL A 26 15.229 8.067 0.608 1.00 0.00 C ATOM 351 CG1 VAL A 26 16.747 8.020 0.519 1.00 0.00 C ATOM 352 CG2 VAL A 26 14.682 9.281 -0.128 1.00 0.00 C ATOM 0 H VAL A 26 15.916 5.729 1.314 1.00 0.00 H new ATOM 0 HA VAL A 26 13.529 6.828 0.127 1.00 0.00 H new ATOM 0 HB VAL A 26 14.952 8.152 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.164 8.943 0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.119 7.172 1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 26 17.047 7.911 -0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.127 10.187 0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.927 9.205 -1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.599 9.322 -0.008 1.00 0.00 H new ATOM 362 N ASN A 27 14.062 6.959 -2.309 1.00 0.00 N ATOM 363 CA ASN A 27 14.304 6.873 -3.745 1.00 0.00 C ATOM 364 C ASN A 27 14.329 5.419 -4.206 1.00 0.00 C ATOM 365 O ASN A 27 14.996 5.080 -5.183 1.00 0.00 O ATOM 366 CB ASN A 27 15.626 7.556 -4.102 1.00 0.00 C ATOM 367 CG ASN A 27 15.801 8.885 -3.393 1.00 0.00 C ATOM 368 OD1 ASN A 27 16.646 9.023 -2.509 1.00 0.00 O ATOM 369 ND2 ASN A 27 14.999 9.871 -3.778 1.00 0.00 N ATOM 0 H ASN A 27 13.128 7.282 -2.057 1.00 0.00 H new ATOM 0 HA ASN A 27 13.489 7.384 -4.257 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.454 6.897 -3.842 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.671 7.714 -5.180 1.00 0.00 H new ATOM 0 HD21 ASN A 27 15.070 10.788 -3.336 1.00 0.00 H new ATOM 0 HD22 ASN A 27 14.313 9.712 -4.515 1.00 0.00 H new ATOM 376 N GLN A 28 13.598 4.566 -3.496 1.00 0.00 N ATOM 377 CA GLN A 28 13.536 3.149 -3.833 1.00 0.00 C ATOM 378 C GLN A 28 12.170 2.784 -4.406 1.00 0.00 C ATOM 379 O GLN A 28 11.127 3.201 -3.902 1.00 0.00 O ATOM 380 CB GLN A 28 13.828 2.296 -2.598 1.00 0.00 C ATOM 381 CG GLN A 28 15.311 2.152 -2.294 1.00 0.00 C ATOM 382 CD GLN A 28 16.065 1.433 -3.395 1.00 0.00 C ATOM 383 OE1 GLN A 28 15.581 0.448 -3.954 1.00 0.00 O ATOM 384 NE2 GLN A 28 17.257 1.922 -3.713 1.00 0.00 N ATOM 0 H GLN A 28 13.041 4.831 -2.684 1.00 0.00 H new ATOM 0 HA GLN A 28 14.293 2.949 -4.591 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.330 2.739 -1.735 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.397 1.305 -2.741 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.746 3.141 -2.147 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.435 1.607 -1.358 1.00 0.00 H new ATOM 0 HE21 GLN A 28 17.620 2.740 -3.224 1.00 0.00 H new ATOM 0 HE22 GLN A 28 17.811 1.480 -4.447 1.00 0.00 H new ATOM 393 N PRO A 29 12.174 1.988 -5.486 1.00 0.00 N ATOM 394 CA PRO A 29 10.944 1.550 -6.150 1.00 0.00 C ATOM 395 C PRO A 29 10.147 0.563 -5.304 1.00 0.00 C ATOM 396 O PRO A 29 10.334 -0.649 -5.407 1.00 0.00 O ATOM 397 CB PRO A 29 11.451 0.872 -7.426 1.00 0.00 C ATOM 398 CG PRO A 29 12.834 0.428 -7.094 1.00 0.00 C ATOM 399 CD PRO A 29 13.381 1.454 -6.140 1.00 0.00 C ATOM 0 HA PRO A 29 10.263 2.381 -6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.820 0.028 -7.703 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.448 1.563 -8.269 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.827 -0.563 -6.640 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.449 0.363 -7.992 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.065 1.008 -5.418 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.934 2.235 -6.663 1.00 0.00 H new ATOM 407 N ALA A 30 9.259 1.090 -4.468 1.00 0.00 N ATOM 408 CA ALA A 30 8.432 0.254 -3.605 1.00 0.00 C ATOM 409 C ALA A 30 7.098 -0.068 -4.269 1.00 0.00 C ATOM 410 O ALA A 30 6.296 0.826 -4.538 1.00 0.00 O ATOM 411 CB ALA A 30 8.206 0.940 -2.266 1.00 0.00 C ATOM 0 H ALA A 30 9.093 2.092 -4.370 1.00 0.00 H new ATOM 0 HA ALA A 30 8.959 -0.685 -3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.587 0.305 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.166 1.114 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.703 1.894 -2.426 1.00 0.00 H new ATOM 417 N SER A 31 6.867 -1.351 -4.530 1.00 0.00 N ATOM 418 CA SER A 31 5.631 -1.791 -5.167 1.00 0.00 C ATOM 419 C SER A 31 5.132 -3.091 -4.544 1.00 0.00 C ATOM 420 O SER A 31 5.924 -3.936 -4.126 1.00 0.00 O ATOM 421 CB SER A 31 5.846 -1.981 -6.670 1.00 0.00 C ATOM 422 OG SER A 31 7.166 -2.416 -6.945 1.00 0.00 O ATOM 0 H SER A 31 7.519 -2.104 -4.310 1.00 0.00 H new ATOM 0 HA SER A 31 4.876 -1.020 -5.010 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.132 -2.710 -7.053 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.653 -1.042 -7.190 1.00 0.00 H new ATOM 0 HG SER A 31 7.278 -2.532 -7.912 1.00 0.00 H new ATOM 428 N PHE A 32 3.814 -3.245 -4.486 1.00 0.00 N ATOM 429 CA PHE A 32 3.207 -4.441 -3.914 1.00 0.00 C ATOM 430 C PHE A 32 1.878 -4.756 -4.594 1.00 0.00 C ATOM 431 O PHE A 32 1.414 -4.004 -5.451 1.00 0.00 O ATOM 432 CB PHE A 32 2.993 -4.261 -2.410 1.00 0.00 C ATOM 433 CG PHE A 32 2.731 -2.837 -2.008 1.00 0.00 C ATOM 434 CD1 PHE A 32 3.740 -1.889 -2.071 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.477 -2.447 -1.568 1.00 0.00 C ATOM 436 CE1 PHE A 32 3.501 -0.579 -1.702 1.00 0.00 C ATOM 437 CE2 PHE A 32 1.232 -1.138 -1.197 1.00 0.00 C ATOM 438 CZ PHE A 32 2.246 -0.203 -1.265 1.00 0.00 C ATOM 0 H PHE A 32 3.145 -2.556 -4.829 1.00 0.00 H new ATOM 0 HA PHE A 32 3.887 -5.277 -4.080 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.153 -4.880 -2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.874 -4.624 -1.880 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.723 -2.177 -2.412 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.681 -3.175 -1.514 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.295 0.151 -1.755 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.250 -0.847 -0.855 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.058 0.821 -0.977 1.00 0.00 H new ATOM 448 N ALA A 33 1.272 -5.873 -4.206 1.00 0.00 N ATOM 449 CA ALA A 33 -0.004 -6.287 -4.777 1.00 0.00 C ATOM 450 C ALA A 33 -1.084 -6.373 -3.703 1.00 0.00 C ATOM 451 O ALA A 33 -0.885 -6.990 -2.656 1.00 0.00 O ATOM 452 CB ALA A 33 0.144 -7.625 -5.486 1.00 0.00 C ATOM 0 H ALA A 33 1.644 -6.507 -3.499 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.309 -5.534 -5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.816 -7.922 -5.907 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.879 -7.534 -6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.476 -8.380 -4.773 1.00 0.00 H new ATOM 458 N VAL A 34 -2.227 -5.750 -3.969 1.00 0.00 N ATOM 459 CA VAL A 34 -3.339 -5.756 -3.025 1.00 0.00 C ATOM 460 C VAL A 34 -4.366 -6.821 -3.393 1.00 0.00 C ATOM 461 O VAL A 34 -5.013 -6.737 -4.436 1.00 0.00 O ATOM 462 CB VAL A 34 -4.035 -4.383 -2.969 1.00 0.00 C ATOM 463 CG1 VAL A 34 -5.104 -4.370 -1.887 1.00 0.00 C ATOM 464 CG2 VAL A 34 -3.016 -3.278 -2.738 1.00 0.00 C ATOM 0 H VAL A 34 -2.408 -5.234 -4.830 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.921 -5.983 -2.044 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.521 -4.202 -3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.585 -3.392 -1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.849 -5.135 -2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.645 -4.573 -0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.525 -2.315 -2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.499 -3.451 -1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.292 -3.275 -3.553 1.00 0.00 H new ATOM 474 N GLN A 35 -4.509 -7.820 -2.529 1.00 0.00 N ATOM 475 CA GLN A 35 -5.458 -8.902 -2.764 1.00 0.00 C ATOM 476 C GLN A 35 -6.882 -8.455 -2.450 1.00 0.00 C ATOM 477 O GLN A 35 -7.108 -7.669 -1.529 1.00 0.00 O ATOM 478 CB GLN A 35 -5.095 -10.121 -1.914 1.00 0.00 C ATOM 479 CG GLN A 35 -5.886 -11.369 -2.271 1.00 0.00 C ATOM 480 CD GLN A 35 -5.459 -12.581 -1.465 1.00 0.00 C ATOM 481 OE1 GLN A 35 -5.003 -12.456 -0.329 1.00 0.00 O ATOM 482 NE2 GLN A 35 -5.605 -13.763 -2.052 1.00 0.00 N ATOM 0 H GLN A 35 -3.981 -7.903 -1.661 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.406 -9.174 -3.818 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.031 -10.330 -2.029 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.262 -9.884 -0.863 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.947 -11.182 -2.105 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.762 -11.582 -3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.988 -13.820 -2.996 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.335 -14.614 -1.559 1.00 0.00 H new ATOM 491 N LEU A 36 -7.839 -8.960 -3.220 1.00 0.00 N ATOM 492 CA LEU A 36 -9.242 -8.612 -3.025 1.00 0.00 C ATOM 493 C LEU A 36 -9.955 -9.672 -2.191 1.00 0.00 C ATOM 494 O LEU A 36 -10.742 -9.351 -1.302 1.00 0.00 O ATOM 495 CB LEU A 36 -9.942 -8.454 -4.376 1.00 0.00 C ATOM 496 CG LEU A 36 -9.227 -7.577 -5.404 1.00 0.00 C ATOM 497 CD1 LEU A 36 -9.716 -7.894 -6.808 1.00 0.00 C ATOM 498 CD2 LEU A 36 -9.434 -6.104 -5.084 1.00 0.00 C ATOM 0 H LEU A 36 -7.669 -9.612 -3.986 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.284 -7.664 -2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.082 -9.445 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.935 -8.039 -4.202 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.159 -7.791 -5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.196 -7.260 -7.526 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.515 -8.941 -7.036 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.788 -7.709 -6.870 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.918 -5.494 -5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.499 -5.874 -5.102 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.033 -5.887 -4.094 1.00 0.00 H new ATOM 510 N ASN A 37 -9.671 -10.937 -2.484 1.00 0.00 N ATOM 511 CA ASN A 37 -10.283 -12.045 -1.759 1.00 0.00 C ATOM 512 C ASN A 37 -11.802 -12.019 -1.908 1.00 0.00 C ATOM 513 O ASN A 37 -12.534 -12.153 -0.929 1.00 0.00 O ATOM 514 CB ASN A 37 -9.904 -11.986 -0.278 1.00 0.00 C ATOM 515 CG ASN A 37 -8.404 -11.910 -0.069 1.00 0.00 C ATOM 516 OD1 ASN A 37 -7.737 -12.930 0.106 1.00 0.00 O ATOM 517 ND2 ASN A 37 -7.865 -10.696 -0.086 1.00 0.00 N ATOM 0 H ASN A 37 -9.022 -11.220 -3.218 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.909 -12.976 -2.185 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.377 -11.118 0.181 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.295 -12.868 0.230 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.860 -10.582 0.049 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.456 -9.878 -0.234 1.00 0.00 H new ATOM 524 N GLY A 38 -12.267 -11.846 -3.141 1.00 0.00 N ATOM 525 CA GLY A 38 -13.696 -11.805 -3.396 1.00 0.00 C ATOM 526 C GLY A 38 -14.163 -10.442 -3.865 1.00 0.00 C ATOM 527 O GLY A 38 -14.990 -10.339 -4.769 1.00 0.00 O ATOM 0 H GLY A 38 -11.681 -11.733 -3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.949 -12.551 -4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.232 -12.076 -2.486 1.00 0.00 H new ATOM 531 N ALA A 39 -13.632 -9.392 -3.246 1.00 0.00 N ATOM 532 CA ALA A 39 -14.000 -8.028 -3.605 1.00 0.00 C ATOM 533 C ALA A 39 -13.756 -7.766 -5.087 1.00 0.00 C ATOM 534 O ALA A 39 -12.945 -8.441 -5.722 1.00 0.00 O ATOM 535 CB ALA A 39 -13.224 -7.031 -2.756 1.00 0.00 C ATOM 0 H ALA A 39 -12.946 -9.460 -2.494 1.00 0.00 H new ATOM 0 HA ALA A 39 -15.065 -7.902 -3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.509 -6.016 -3.035 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.452 -7.195 -1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.155 -7.166 -2.922 1.00 0.00 H new ATOM 541 N ARG A 40 -14.463 -6.782 -5.634 1.00 0.00 N ATOM 542 CA ARG A 40 -14.325 -6.432 -7.042 1.00 0.00 C ATOM 543 C ARG A 40 -14.687 -4.969 -7.277 1.00 0.00 C ATOM 544 O ARG A 40 -15.817 -4.551 -7.030 1.00 0.00 O ATOM 545 CB ARG A 40 -15.213 -7.333 -7.903 1.00 0.00 C ATOM 546 CG ARG A 40 -15.193 -6.975 -9.380 1.00 0.00 C ATOM 547 CD ARG A 40 -13.966 -7.544 -10.075 1.00 0.00 C ATOM 548 NE ARG A 40 -14.195 -8.900 -10.568 1.00 0.00 N ATOM 549 CZ ARG A 40 -14.899 -9.175 -11.660 1.00 0.00 C ATOM 550 NH1 ARG A 40 -15.440 -8.194 -12.369 1.00 0.00 N ATOM 551 NH2 ARG A 40 -15.064 -10.434 -12.045 1.00 0.00 N ATOM 0 H ARG A 40 -15.138 -6.213 -5.123 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.283 -6.581 -7.327 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -14.890 -8.367 -7.784 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.238 -7.275 -7.537 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.094 -7.357 -9.860 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -15.206 -5.891 -9.493 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.689 -6.898 -10.908 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.126 -7.548 -9.381 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.792 -9.678 -10.045 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -15.316 -7.225 -12.076 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.980 -8.408 -13.207 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.650 -11.192 -11.502 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.605 -10.644 -12.884 1.00 0.00 H new ATOM 565 N GLY A 41 -13.718 -4.194 -7.757 1.00 0.00 N ATOM 566 CA GLY A 41 -13.954 -2.786 -8.016 1.00 0.00 C ATOM 567 C GLY A 41 -12.703 -2.064 -8.476 1.00 0.00 C ATOM 568 O GLY A 41 -11.936 -2.588 -9.284 1.00 0.00 O ATOM 0 H GLY A 41 -12.774 -4.517 -7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -14.729 -2.684 -8.776 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -14.332 -2.311 -7.110 1.00 0.00 H new ATOM 572 N VAL A 42 -12.496 -0.856 -7.962 1.00 0.00 N ATOM 573 CA VAL A 42 -11.330 -0.059 -8.325 1.00 0.00 C ATOM 574 C VAL A 42 -10.524 0.330 -7.091 1.00 0.00 C ATOM 575 O VAL A 42 -11.067 0.879 -6.131 1.00 0.00 O ATOM 576 CB VAL A 42 -11.737 1.218 -9.083 1.00 0.00 C ATOM 577 CG1 VAL A 42 -10.505 2.011 -9.493 1.00 0.00 C ATOM 578 CG2 VAL A 42 -12.585 0.870 -10.296 1.00 0.00 C ATOM 0 H VAL A 42 -13.121 -0.407 -7.292 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.714 -0.678 -8.977 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.335 1.840 -8.417 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.812 2.910 -10.027 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.941 2.292 -8.604 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.878 1.400 -10.142 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -12.864 1.784 -10.820 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -12.014 0.227 -10.966 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.486 0.348 -9.973 1.00 0.00 H new ATOM 588 N ILE A 43 -9.228 0.042 -7.123 1.00 0.00 N ATOM 589 CA ILE A 43 -8.347 0.364 -6.007 1.00 0.00 C ATOM 590 C ILE A 43 -7.516 1.608 -6.303 1.00 0.00 C ATOM 591 O ILE A 43 -6.855 1.694 -7.338 1.00 0.00 O ATOM 592 CB ILE A 43 -7.400 -0.807 -5.682 1.00 0.00 C ATOM 593 CG1 ILE A 43 -8.177 -1.956 -5.037 1.00 0.00 C ATOM 594 CG2 ILE A 43 -6.277 -0.341 -4.767 1.00 0.00 C ATOM 595 CD1 ILE A 43 -8.360 -1.800 -3.544 1.00 0.00 C ATOM 0 H ILE A 43 -8.764 -0.414 -7.909 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.986 0.554 -5.145 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.960 -1.168 -6.612 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.157 -2.031 -5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.655 -2.892 -5.235 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.616 -1.179 -4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.710 0.448 -5.260 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.700 0.042 -3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.919 -2.651 -3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.384 -1.756 -3.060 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.909 -0.881 -3.339 1.00 0.00 H new ATOM 607 N ASP A 44 -7.553 2.569 -5.386 1.00 0.00 N ATOM 608 CA ASP A 44 -6.802 3.808 -5.547 1.00 0.00 C ATOM 609 C ASP A 44 -5.614 3.851 -4.591 1.00 0.00 C ATOM 610 O ASP A 44 -5.733 3.487 -3.421 1.00 0.00 O ATOM 611 CB ASP A 44 -7.710 5.015 -5.308 1.00 0.00 C ATOM 612 CG ASP A 44 -8.635 5.285 -6.478 1.00 0.00 C ATOM 613 OD1 ASP A 44 -9.257 4.324 -6.977 1.00 0.00 O ATOM 614 OD2 ASP A 44 -8.736 6.458 -6.895 1.00 0.00 O ATOM 0 H ASP A 44 -8.095 2.513 -4.524 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.424 3.845 -6.569 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.305 4.846 -4.410 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.096 5.897 -5.123 1.00 0.00 H new ATOM 619 N ALA A 45 -4.469 4.298 -5.096 1.00 0.00 N ATOM 620 CA ALA A 45 -3.261 4.390 -4.287 1.00 0.00 C ATOM 621 C ALA A 45 -2.616 5.765 -4.417 1.00 0.00 C ATOM 622 O ALA A 45 -2.347 6.233 -5.524 1.00 0.00 O ATOM 623 CB ALA A 45 -2.274 3.302 -4.686 1.00 0.00 C ATOM 0 H ALA A 45 -4.353 4.602 -6.063 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.541 4.246 -3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.376 3.383 -4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.730 2.324 -4.534 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.008 3.419 -5.737 1.00 0.00 H new ATOM 629 N ARG A 46 -2.371 6.409 -3.280 1.00 0.00 N ATOM 630 CA ARG A 46 -1.759 7.732 -3.268 1.00 0.00 C ATOM 631 C ARG A 46 -0.863 7.906 -2.046 1.00 0.00 C ATOM 632 O ARG A 46 -1.291 7.685 -0.913 1.00 0.00 O ATOM 633 CB ARG A 46 -2.838 8.817 -3.280 1.00 0.00 C ATOM 634 CG ARG A 46 -3.323 9.178 -4.675 1.00 0.00 C ATOM 635 CD ARG A 46 -3.900 10.584 -4.717 1.00 0.00 C ATOM 636 NE ARG A 46 -2.873 11.588 -4.985 1.00 0.00 N ATOM 637 CZ ARG A 46 -2.452 11.900 -6.206 1.00 0.00 C ATOM 638 NH1 ARG A 46 -2.965 11.290 -7.265 1.00 0.00 N ATOM 639 NH2 ARG A 46 -1.514 12.825 -6.369 1.00 0.00 N ATOM 0 H ARG A 46 -2.587 6.036 -2.356 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.146 7.828 -4.164 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.687 8.480 -2.685 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.446 9.713 -2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.495 9.102 -5.380 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.081 8.463 -4.994 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.669 10.638 -5.487 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.385 10.806 -3.766 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.457 12.076 -4.192 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.686 10.578 -7.144 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.639 11.532 -8.201 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.116 13.297 -5.557 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.191 13.064 -7.306 1.00 0.00 H new ATOM 653 N VAL A 47 0.384 8.301 -2.284 1.00 0.00 N ATOM 654 CA VAL A 47 1.341 8.505 -1.203 1.00 0.00 C ATOM 655 C VAL A 47 1.379 9.966 -0.770 1.00 0.00 C ATOM 656 O VAL A 47 1.188 10.871 -1.583 1.00 0.00 O ATOM 657 CB VAL A 47 2.758 8.067 -1.618 1.00 0.00 C ATOM 658 CG1 VAL A 47 2.904 6.557 -1.507 1.00 0.00 C ATOM 659 CG2 VAL A 47 3.069 8.539 -3.030 1.00 0.00 C ATOM 0 H VAL A 47 0.755 8.486 -3.216 1.00 0.00 H new ATOM 0 HA VAL A 47 1.009 7.890 -0.367 1.00 0.00 H new ATOM 0 HB VAL A 47 3.476 8.528 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.912 6.266 -1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.726 6.249 -0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.179 6.072 -2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.074 8.221 -3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.348 8.108 -3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.008 9.627 -3.072 1.00 0.00 H new ATOM 669 N HIS A 48 1.627 10.190 0.517 1.00 0.00 N ATOM 670 CA HIS A 48 1.691 11.543 1.058 1.00 0.00 C ATOM 671 C HIS A 48 3.083 11.844 1.604 1.00 0.00 C ATOM 672 O HIS A 48 3.635 11.072 2.388 1.00 0.00 O ATOM 673 CB HIS A 48 0.648 11.723 2.162 1.00 0.00 C ATOM 674 CG HIS A 48 -0.739 11.949 1.644 1.00 0.00 C ATOM 675 ND1 HIS A 48 -1.352 13.185 1.647 1.00 0.00 N ATOM 676 CD2 HIS A 48 -1.633 11.089 1.102 1.00 0.00 C ATOM 677 CE1 HIS A 48 -2.563 13.074 1.132 1.00 0.00 C ATOM 678 NE2 HIS A 48 -2.758 11.813 0.793 1.00 0.00 N ATOM 0 H HIS A 48 1.787 9.453 1.204 1.00 0.00 H new ATOM 0 HA HIS A 48 1.478 12.242 0.249 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.649 10.839 2.800 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.935 12.568 2.788 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.488 10.031 0.942 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.273 13.878 1.009 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.607 11.437 0.370 1.00 0.00 H new ATOM 687 N THR A 49 3.647 12.972 1.184 1.00 0.00 N ATOM 688 CA THR A 49 4.976 13.375 1.629 1.00 0.00 C ATOM 689 C THR A 49 4.894 14.292 2.843 1.00 0.00 C ATOM 690 O THR A 49 3.983 15.110 2.974 1.00 0.00 O ATOM 691 CB THR A 49 5.750 14.093 0.507 1.00 0.00 C ATOM 692 OG1 THR A 49 5.278 15.438 0.370 1.00 0.00 O ATOM 693 CG2 THR A 49 5.594 13.358 -0.815 1.00 0.00 C ATOM 0 H THR A 49 3.204 13.623 0.536 1.00 0.00 H new ATOM 0 HA THR A 49 5.509 12.464 1.901 1.00 0.00 H new ATOM 0 HB THR A 49 6.807 14.104 0.775 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.542 15.462 -0.276 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.149 13.884 -1.592 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.981 12.344 -0.715 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.539 13.318 -1.087 1.00 0.00 H new ATOM 701 N PRO A 50 5.869 14.157 3.755 1.00 0.00 N ATOM 702 CA PRO A 50 5.930 14.967 4.975 1.00 0.00 C ATOM 703 C PRO A 50 6.269 16.426 4.686 1.00 0.00 C ATOM 704 O PRO A 50 6.159 17.284 5.561 1.00 0.00 O ATOM 705 CB PRO A 50 7.051 14.308 5.782 1.00 0.00 C ATOM 706 CG PRO A 50 7.912 13.645 4.764 1.00 0.00 C ATOM 707 CD PRO A 50 6.987 13.203 3.664 1.00 0.00 C ATOM 0 HA PRO A 50 4.972 14.995 5.494 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.612 15.046 6.355 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.653 13.586 6.495 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.668 14.332 4.385 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.441 12.795 5.194 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.473 13.245 2.689 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.652 12.176 3.809 1.00 0.00 H new ATOM 715 N SER A 51 6.680 16.700 3.452 1.00 0.00 N ATOM 716 CA SER A 51 7.038 18.055 3.048 1.00 0.00 C ATOM 717 C SER A 51 5.789 18.889 2.781 1.00 0.00 C ATOM 718 O SER A 51 5.821 20.117 2.858 1.00 0.00 O ATOM 719 CB SER A 51 7.920 18.021 1.799 1.00 0.00 C ATOM 720 OG SER A 51 8.163 19.329 1.311 1.00 0.00 O ATOM 0 H SER A 51 6.773 16.002 2.714 1.00 0.00 H new ATOM 0 HA SER A 51 7.594 18.517 3.864 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.867 17.534 2.032 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.437 17.424 1.025 1.00 0.00 H new ATOM 0 HG SER A 51 8.730 19.280 0.513 1.00 0.00 H new ATOM 726 N GLY A 52 4.689 18.212 2.465 1.00 0.00 N ATOM 727 CA GLY A 52 3.444 18.906 2.190 1.00 0.00 C ATOM 728 C GLY A 52 3.035 18.807 0.734 1.00 0.00 C ATOM 729 O GLY A 52 2.390 19.710 0.201 1.00 0.00 O ATOM 0 H GLY A 52 4.638 17.196 2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.654 18.490 2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.548 19.956 2.464 1.00 0.00 H new ATOM 733 N ALA A 53 3.412 17.709 0.088 1.00 0.00 N ATOM 734 CA ALA A 53 3.080 17.496 -1.315 1.00 0.00 C ATOM 735 C ALA A 53 2.399 16.147 -1.519 1.00 0.00 C ATOM 736 O ALA A 53 2.951 15.103 -1.171 1.00 0.00 O ATOM 737 CB ALA A 53 4.331 17.594 -2.175 1.00 0.00 C ATOM 0 H ALA A 53 3.948 16.953 0.514 1.00 0.00 H new ATOM 0 HA ALA A 53 2.382 18.276 -1.620 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.067 17.433 -3.220 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.774 18.583 -2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.049 16.836 -1.861 1.00 0.00 H new ATOM 743 N VAL A 54 1.197 16.175 -2.086 1.00 0.00 N ATOM 744 CA VAL A 54 0.441 14.953 -2.337 1.00 0.00 C ATOM 745 C VAL A 54 0.839 14.324 -3.667 1.00 0.00 C ATOM 746 O VAL A 54 0.461 14.811 -4.732 1.00 0.00 O ATOM 747 CB VAL A 54 -1.075 15.223 -2.342 1.00 0.00 C ATOM 748 CG1 VAL A 54 -1.831 14.013 -2.871 1.00 0.00 C ATOM 749 CG2 VAL A 54 -1.555 15.593 -0.947 1.00 0.00 C ATOM 0 H VAL A 54 0.726 17.030 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 54 0.677 14.262 -1.527 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.274 16.065 -3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.901 14.222 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.507 13.798 -3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.628 13.151 -2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.629 15.780 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.344 14.773 -0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.037 16.491 -0.610 1.00 0.00 H new ATOM 759 N GLU A 55 1.604 13.239 -3.598 1.00 0.00 N ATOM 760 CA GLU A 55 2.054 12.544 -4.798 1.00 0.00 C ATOM 761 C GLU A 55 1.055 11.465 -5.208 1.00 0.00 C ATOM 762 O GLU A 55 0.086 11.201 -4.497 1.00 0.00 O ATOM 763 CB GLU A 55 3.431 11.918 -4.566 1.00 0.00 C ATOM 764 CG GLU A 55 4.584 12.874 -4.822 1.00 0.00 C ATOM 765 CD GLU A 55 5.937 12.196 -4.717 1.00 0.00 C ATOM 766 OE1 GLU A 55 6.293 11.437 -5.642 1.00 0.00 O ATOM 767 OE2 GLU A 55 6.639 12.427 -3.710 1.00 0.00 O ATOM 0 H GLU A 55 1.925 12.823 -2.724 1.00 0.00 H new ATOM 0 HA GLU A 55 2.126 13.274 -5.604 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.489 11.559 -3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.540 11.049 -5.215 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.476 13.310 -5.815 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.536 13.695 -4.107 1.00 0.00 H new ATOM 774 N GLU A 56 1.300 10.847 -6.359 1.00 0.00 N ATOM 775 CA GLU A 56 0.422 9.798 -6.864 1.00 0.00 C ATOM 776 C GLU A 56 1.174 8.478 -7.003 1.00 0.00 C ATOM 777 O GLU A 56 2.397 8.430 -6.858 1.00 0.00 O ATOM 778 CB GLU A 56 -0.170 10.205 -8.215 1.00 0.00 C ATOM 779 CG GLU A 56 0.851 10.245 -9.340 1.00 0.00 C ATOM 780 CD GLU A 56 0.250 10.694 -10.657 1.00 0.00 C ATOM 781 OE1 GLU A 56 -0.420 9.871 -11.316 1.00 0.00 O ATOM 782 OE2 GLU A 56 0.449 11.869 -11.029 1.00 0.00 O ATOM 0 H GLU A 56 2.098 11.054 -6.959 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.387 9.661 -6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.963 9.506 -8.480 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.631 11.188 -8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.662 10.920 -9.066 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.289 9.255 -9.464 1.00 0.00 H new ATOM 789 N CYS A 57 0.436 7.410 -7.283 1.00 0.00 N ATOM 790 CA CYS A 57 1.033 6.088 -7.440 1.00 0.00 C ATOM 791 C CYS A 57 0.711 5.506 -8.813 1.00 0.00 C ATOM 792 O CYS A 57 0.093 6.166 -9.649 1.00 0.00 O ATOM 793 CB CYS A 57 0.533 5.147 -6.344 1.00 0.00 C ATOM 794 SG CYS A 57 0.641 5.833 -4.675 1.00 0.00 S ATOM 0 H CYS A 57 -0.576 7.433 -7.406 1.00 0.00 H new ATOM 0 HA CYS A 57 2.115 6.192 -7.354 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.505 4.885 -6.551 1.00 0.00 H new ATOM 0 HB3 CYS A 57 1.109 4.223 -6.383 1.00 0.00 H new ATOM 0 HG CYS A 57 1.582 5.225 -4.016 1.00 0.00 H new ATOM 800 N TYR A 58 1.136 4.268 -9.039 1.00 0.00 N ATOM 801 CA TYR A 58 0.897 3.598 -10.312 1.00 0.00 C ATOM 802 C TYR A 58 0.072 2.331 -10.114 1.00 0.00 C ATOM 803 O TYR A 58 0.584 1.307 -9.661 1.00 0.00 O ATOM 804 CB TYR A 58 2.225 3.256 -10.989 1.00 0.00 C ATOM 805 CG TYR A 58 2.078 2.328 -12.174 1.00 0.00 C ATOM 806 CD1 TYR A 58 1.308 2.689 -13.272 1.00 0.00 C ATOM 807 CD2 TYR A 58 2.712 1.092 -12.196 1.00 0.00 C ATOM 808 CE1 TYR A 58 1.171 1.844 -14.357 1.00 0.00 C ATOM 809 CE2 TYR A 58 2.582 0.241 -13.277 1.00 0.00 C ATOM 810 CZ TYR A 58 1.810 0.622 -14.355 1.00 0.00 C ATOM 811 OH TYR A 58 1.677 -0.222 -15.434 1.00 0.00 O ATOM 0 H TYR A 58 1.648 3.708 -8.357 1.00 0.00 H new ATOM 0 HA TYR A 58 0.335 4.278 -10.952 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.704 4.178 -11.317 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.888 2.795 -10.257 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.808 3.646 -13.278 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.317 0.791 -11.354 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.567 2.139 -15.202 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.082 -0.716 -13.278 1.00 0.00 H new ATOM 0 HH TYR A 58 2.191 -1.041 -15.274 1.00 0.00 H new ATOM 821 N VAL A 59 -1.210 2.407 -10.457 1.00 0.00 N ATOM 822 CA VAL A 59 -2.108 1.266 -10.320 1.00 0.00 C ATOM 823 C VAL A 59 -2.942 1.069 -11.580 1.00 0.00 C ATOM 824 O VAL A 59 -3.944 1.753 -11.788 1.00 0.00 O ATOM 825 CB VAL A 59 -3.051 1.436 -9.114 1.00 0.00 C ATOM 826 CG1 VAL A 59 -3.636 2.840 -9.088 1.00 0.00 C ATOM 827 CG2 VAL A 59 -4.155 0.391 -9.151 1.00 0.00 C ATOM 0 H VAL A 59 -1.650 3.247 -10.832 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.482 0.388 -10.161 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.475 1.291 -8.200 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.300 2.942 -8.229 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.829 3.569 -9.012 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.199 3.017 -10.005 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.812 0.525 -8.292 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.731 0.503 -10.070 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.714 -0.605 -9.118 1.00 0.00 H new ATOM 917 N LYS A 66 -6.574 -8.289 -9.350 1.00 0.00 N ATOM 918 CA LYS A 66 -5.593 -7.722 -8.432 1.00 0.00 C ATOM 919 C LYS A 66 -5.184 -6.320 -8.871 1.00 0.00 C ATOM 920 O LYS A 66 -5.562 -5.861 -9.950 1.00 0.00 O ATOM 921 CB LYS A 66 -4.359 -8.623 -8.351 1.00 0.00 C ATOM 922 CG LYS A 66 -4.620 -9.952 -7.663 1.00 0.00 C ATOM 923 CD LYS A 66 -3.324 -10.630 -7.250 1.00 0.00 C ATOM 924 CE LYS A 66 -3.531 -11.549 -6.057 1.00 0.00 C ATOM 925 NZ LYS A 66 -4.408 -12.705 -6.393 1.00 0.00 N ATOM 0 HA LYS A 66 -6.052 -7.655 -7.445 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.990 -8.812 -9.359 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.569 -8.096 -7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.244 -9.791 -6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.177 -10.607 -8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.929 -11.204 -8.088 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.579 -9.873 -7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.565 -11.915 -5.709 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.973 -10.984 -5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.525 -13.308 -5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.338 -12.357 -6.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.974 -13.259 -7.159 1.00 0.00 H new ATOM 939 N HIS A 67 -4.410 -5.643 -8.029 1.00 0.00 N ATOM 940 CA HIS A 67 -3.948 -4.293 -8.332 1.00 0.00 C ATOM 941 C HIS A 67 -2.518 -4.086 -7.841 1.00 0.00 C ATOM 942 O HIS A 67 -2.228 -4.243 -6.655 1.00 0.00 O ATOM 943 CB HIS A 67 -4.874 -3.259 -7.692 1.00 0.00 C ATOM 944 CG HIS A 67 -6.300 -3.377 -8.136 1.00 0.00 C ATOM 945 ND1 HIS A 67 -6.823 -2.655 -9.188 1.00 0.00 N ATOM 946 CD2 HIS A 67 -7.314 -4.139 -7.664 1.00 0.00 C ATOM 947 CE1 HIS A 67 -8.097 -2.967 -9.343 1.00 0.00 C ATOM 948 NE2 HIS A 67 -8.420 -3.866 -8.431 1.00 0.00 N ATOM 0 H HIS A 67 -4.089 -6.007 -7.132 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.965 -4.164 -9.414 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.829 -3.365 -6.608 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.509 -2.260 -7.930 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.263 -4.833 -6.838 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.762 -2.557 -10.089 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.341 -4.289 -8.315 1.00 0.00 H new ATOM 957 N THR A 68 -1.627 -3.732 -8.762 1.00 0.00 N ATOM 958 CA THR A 68 -0.227 -3.505 -8.424 1.00 0.00 C ATOM 959 C THR A 68 0.060 -2.019 -8.243 1.00 0.00 C ATOM 960 O THR A 68 -0.323 -1.197 -9.076 1.00 0.00 O ATOM 961 CB THR A 68 0.711 -4.069 -9.507 1.00 0.00 C ATOM 962 OG1 THR A 68 0.410 -5.449 -9.746 1.00 0.00 O ATOM 963 CG2 THR A 68 2.167 -3.927 -9.089 1.00 0.00 C ATOM 0 H THR A 68 -1.850 -3.596 -9.748 1.00 0.00 H new ATOM 0 HA THR A 68 -0.040 -4.026 -7.485 1.00 0.00 H new ATOM 0 HB THR A 68 0.555 -3.500 -10.424 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.010 -5.800 -10.437 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.811 -4.332 -9.870 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.401 -2.873 -8.937 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.334 -4.474 -8.161 1.00 0.00 H new ATOM 971 N ILE A 69 0.737 -1.681 -7.150 1.00 0.00 N ATOM 972 CA ILE A 69 1.077 -0.293 -6.862 1.00 0.00 C ATOM 973 C ILE A 69 2.580 -0.062 -6.969 1.00 0.00 C ATOM 974 O ILE A 69 3.379 -0.929 -6.615 1.00 0.00 O ATOM 975 CB ILE A 69 0.603 0.122 -5.456 1.00 0.00 C ATOM 976 CG1 ILE A 69 -0.706 -0.587 -5.105 1.00 0.00 C ATOM 977 CG2 ILE A 69 0.432 1.632 -5.379 1.00 0.00 C ATOM 978 CD1 ILE A 69 -1.745 -0.515 -6.202 1.00 0.00 C ATOM 0 H ILE A 69 1.060 -2.349 -6.450 1.00 0.00 H new ATOM 0 HA ILE A 69 0.565 0.319 -7.604 1.00 0.00 H new ATOM 0 HB ILE A 69 1.360 -0.176 -4.731 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.495 -1.633 -4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.117 -0.146 -4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.097 1.910 -4.380 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.385 2.117 -5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.308 1.952 -6.112 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.647 -1.039 -5.884 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.985 0.528 -6.408 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.353 -0.983 -7.105 1.00 0.00 H new ATOM 990 N ARG A 70 2.959 1.115 -7.457 1.00 0.00 N ATOM 991 CA ARG A 70 4.367 1.461 -7.610 1.00 0.00 C ATOM 992 C ARG A 70 4.587 2.954 -7.388 1.00 0.00 C ATOM 993 O ARG A 70 3.995 3.788 -8.072 1.00 0.00 O ATOM 994 CB ARG A 70 4.864 1.063 -9.001 1.00 0.00 C ATOM 995 CG ARG A 70 6.375 0.927 -9.092 1.00 0.00 C ATOM 996 CD ARG A 70 6.795 0.238 -10.381 1.00 0.00 C ATOM 997 NE ARG A 70 6.561 -1.203 -10.334 1.00 0.00 N ATOM 998 CZ ARG A 70 6.731 -2.010 -11.376 1.00 0.00 C ATOM 999 NH1 ARG A 70 7.135 -1.519 -12.539 1.00 0.00 N ATOM 1000 NH2 ARG A 70 6.497 -3.310 -11.254 1.00 0.00 N ATOM 0 H ARG A 70 2.311 1.845 -7.753 1.00 0.00 H new ATOM 0 HA ARG A 70 4.934 0.912 -6.858 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.405 0.116 -9.284 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.531 1.808 -9.724 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.834 1.914 -9.039 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.742 0.359 -8.238 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.244 0.667 -11.218 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.852 0.428 -10.565 1.00 0.00 H new ATOM 0 HE ARG A 70 6.250 -1.612 -9.453 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.316 -0.520 -12.636 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.265 -2.140 -13.337 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.186 -3.691 -10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.628 -3.929 -12.054 1.00 0.00 H new ATOM 1014 N PHE A 71 5.442 3.284 -6.425 1.00 0.00 N ATOM 1015 CA PHE A 71 5.739 4.677 -6.111 1.00 0.00 C ATOM 1016 C PHE A 71 7.073 4.796 -5.379 1.00 0.00 C ATOM 1017 O PHE A 71 7.439 3.927 -4.588 1.00 0.00 O ATOM 1018 CB PHE A 71 4.621 5.279 -5.259 1.00 0.00 C ATOM 1019 CG PHE A 71 4.303 4.475 -4.031 1.00 0.00 C ATOM 1020 CD1 PHE A 71 5.199 4.413 -2.976 1.00 0.00 C ATOM 1021 CD2 PHE A 71 3.108 3.779 -3.933 1.00 0.00 C ATOM 1022 CE1 PHE A 71 4.909 3.674 -1.844 1.00 0.00 C ATOM 1023 CE2 PHE A 71 2.813 3.039 -2.804 1.00 0.00 C ATOM 1024 CZ PHE A 71 3.715 2.985 -1.759 1.00 0.00 C ATOM 0 H PHE A 71 5.941 2.606 -5.849 1.00 0.00 H new ATOM 0 HA PHE A 71 5.808 5.229 -7.049 1.00 0.00 H new ATOM 0 HB2 PHE A 71 4.907 6.287 -4.959 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.721 5.370 -5.867 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.135 4.948 -3.039 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.400 3.816 -4.748 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.615 3.636 -1.028 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.878 2.503 -2.739 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.487 2.405 -0.877 1.00 0.00 H new ATOM 1034 N ILE A 72 7.794 5.879 -5.649 1.00 0.00 N ATOM 1035 CA ILE A 72 9.086 6.113 -5.016 1.00 0.00 C ATOM 1036 C ILE A 72 9.053 7.365 -4.146 1.00 0.00 C ATOM 1037 O ILE A 72 8.667 8.448 -4.587 1.00 0.00 O ATOM 1038 CB ILE A 72 10.207 6.258 -6.062 1.00 0.00 C ATOM 1039 CG1 ILE A 72 10.461 4.919 -6.758 1.00 0.00 C ATOM 1040 CG2 ILE A 72 11.481 6.770 -5.406 1.00 0.00 C ATOM 1041 CD1 ILE A 72 11.328 5.035 -7.992 1.00 0.00 C ATOM 0 H ILE A 72 7.505 6.608 -6.302 1.00 0.00 H new ATOM 0 HA ILE A 72 9.293 5.244 -4.391 1.00 0.00 H new ATOM 0 HB ILE A 72 9.892 6.983 -6.813 1.00 0.00 H new ATOM 0 HG12 ILE A 72 10.936 4.236 -6.053 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.505 4.476 -7.036 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.264 6.867 -6.158 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.291 7.743 -4.952 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.802 6.067 -4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.466 4.048 -8.434 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.845 5.692 -8.715 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.298 5.449 -7.717 1.00 0.00 H new ATOM 1053 N PRO A 73 9.470 7.216 -2.880 1.00 0.00 N ATOM 1054 CA PRO A 73 9.500 8.325 -1.921 1.00 0.00 C ATOM 1055 C PRO A 73 10.575 9.353 -2.258 1.00 0.00 C ATOM 1056 O PRO A 73 11.723 9.000 -2.531 1.00 0.00 O ATOM 1057 CB PRO A 73 9.818 7.636 -0.592 1.00 0.00 C ATOM 1058 CG PRO A 73 10.536 6.388 -0.974 1.00 0.00 C ATOM 1059 CD PRO A 73 9.945 5.955 -2.287 1.00 0.00 C ATOM 0 HA PRO A 73 8.564 8.884 -1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.436 8.269 0.044 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.909 7.414 -0.034 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.607 6.567 -1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.408 5.616 -0.215 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.686 5.468 -2.920 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.130 5.245 -2.146 1.00 0.00 H new ATOM 1067 N HIS A 74 10.196 10.627 -2.237 1.00 0.00 N ATOM 1068 CA HIS A 74 11.128 11.707 -2.539 1.00 0.00 C ATOM 1069 C HIS A 74 11.929 12.096 -1.300 1.00 0.00 C ATOM 1070 O HIS A 74 13.160 12.088 -1.318 1.00 0.00 O ATOM 1071 CB HIS A 74 10.375 12.925 -3.076 1.00 0.00 C ATOM 1072 CG HIS A 74 10.000 12.807 -4.521 1.00 0.00 C ATOM 1073 ND1 HIS A 74 9.614 11.619 -5.105 1.00 0.00 N ATOM 1074 CD2 HIS A 74 9.953 13.739 -5.502 1.00 0.00 C ATOM 1075 CE1 HIS A 74 9.347 11.825 -6.382 1.00 0.00 C ATOM 1076 NE2 HIS A 74 9.544 13.103 -6.648 1.00 0.00 N ATOM 0 H HIS A 74 9.250 10.936 -2.014 1.00 0.00 H new ATOM 0 HA HIS A 74 11.821 11.352 -3.302 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.471 13.073 -2.485 1.00 0.00 H new ATOM 0 HB3 HIS A 74 10.993 13.813 -2.941 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.193 14.787 -5.402 1.00 0.00 H new ATOM 0 HE1 HIS A 74 9.023 11.075 -7.089 1.00 0.00 H new ATOM 0 HE2 HIS A 74 9.414 13.546 -7.557 1.00 0.00 H new ATOM 1085 N GLU A 75 11.222 12.437 -0.227 1.00 0.00 N ATOM 1086 CA GLU A 75 11.869 12.830 1.020 1.00 0.00 C ATOM 1087 C GLU A 75 11.667 11.767 2.096 1.00 0.00 C ATOM 1088 O GLU A 75 10.576 11.221 2.246 1.00 0.00 O ATOM 1089 CB GLU A 75 11.318 14.173 1.504 1.00 0.00 C ATOM 1090 CG GLU A 75 11.395 14.355 3.011 1.00 0.00 C ATOM 1091 CD GLU A 75 11.462 15.813 3.420 1.00 0.00 C ATOM 1092 OE1 GLU A 75 12.070 16.611 2.675 1.00 0.00 O ATOM 1093 OE2 GLU A 75 10.906 16.158 4.484 1.00 0.00 O ATOM 0 H GLU A 75 10.203 12.449 -0.196 1.00 0.00 H new ATOM 0 HA GLU A 75 12.938 12.931 0.830 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.871 14.978 1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.279 14.265 1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.524 13.891 3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.274 13.834 3.392 1.00 0.00 H new ATOM 1100 N ASN A 76 12.729 11.480 2.842 1.00 0.00 N ATOM 1101 CA ASN A 76 12.670 10.482 3.904 1.00 0.00 C ATOM 1102 C ASN A 76 11.503 10.759 4.846 1.00 0.00 C ATOM 1103 O ASN A 76 11.013 11.885 4.931 1.00 0.00 O ATOM 1104 CB ASN A 76 13.983 10.465 4.690 1.00 0.00 C ATOM 1105 CG ASN A 76 14.992 9.494 4.109 1.00 0.00 C ATOM 1106 OD1 ASN A 76 16.151 9.844 3.887 1.00 0.00 O ATOM 1107 ND2 ASN A 76 14.555 8.265 3.861 1.00 0.00 N ATOM 0 H ASN A 76 13.640 11.924 2.731 1.00 0.00 H new ATOM 0 HA ASN A 76 12.518 9.506 3.444 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.411 11.467 4.699 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.779 10.196 5.727 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.189 7.567 3.471 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.586 8.018 4.061 1.00 0.00 H new ATOM 1114 N GLY A 77 11.063 9.724 5.555 1.00 0.00 N ATOM 1115 CA GLY A 77 9.957 9.876 6.483 1.00 0.00 C ATOM 1116 C GLY A 77 8.810 8.935 6.177 1.00 0.00 C ATOM 1117 O GLY A 77 8.712 8.402 5.071 1.00 0.00 O ATOM 0 H GLY A 77 11.453 8.783 5.503 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.311 9.695 7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.598 10.905 6.450 1.00 0.00 H new ATOM 1121 N VAL A 78 7.938 8.727 7.159 1.00 0.00 N ATOM 1122 CA VAL A 78 6.792 7.843 6.990 1.00 0.00 C ATOM 1123 C VAL A 78 5.715 8.497 6.132 1.00 0.00 C ATOM 1124 O VAL A 78 5.270 9.610 6.416 1.00 0.00 O ATOM 1125 CB VAL A 78 6.181 7.449 8.348 1.00 0.00 C ATOM 1126 CG1 VAL A 78 4.961 6.563 8.149 1.00 0.00 C ATOM 1127 CG2 VAL A 78 7.219 6.754 9.217 1.00 0.00 C ATOM 0 H VAL A 78 8.004 9.159 8.080 1.00 0.00 H new ATOM 0 HA VAL A 78 7.156 6.946 6.490 1.00 0.00 H new ATOM 0 HB VAL A 78 5.861 8.357 8.859 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.544 6.295 9.120 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.212 7.101 7.568 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.252 5.657 7.617 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.771 6.482 10.173 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.572 5.854 8.713 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.059 7.427 9.389 1.00 0.00 H new ATOM 1137 N HIS A 79 5.299 7.799 5.080 1.00 0.00 N ATOM 1138 CA HIS A 79 4.272 8.312 4.179 1.00 0.00 C ATOM 1139 C HIS A 79 2.922 7.663 4.469 1.00 0.00 C ATOM 1140 O HIS A 79 2.856 6.567 5.025 1.00 0.00 O ATOM 1141 CB HIS A 79 4.670 8.063 2.724 1.00 0.00 C ATOM 1142 CG HIS A 79 5.886 8.825 2.297 1.00 0.00 C ATOM 1143 ND1 HIS A 79 7.027 8.915 3.066 1.00 0.00 N ATOM 1144 CD2 HIS A 79 6.137 9.533 1.171 1.00 0.00 C ATOM 1145 CE1 HIS A 79 7.926 9.647 2.433 1.00 0.00 C ATOM 1146 NE2 HIS A 79 7.411 10.034 1.280 1.00 0.00 N ATOM 0 H HIS A 79 5.657 6.877 4.830 1.00 0.00 H new ATOM 0 HA HIS A 79 4.181 9.386 4.344 1.00 0.00 H new ATOM 0 HB2 HIS A 79 4.851 6.997 2.583 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.836 8.333 2.076 1.00 0.00 H new ATOM 0 HD1 HIS A 79 7.157 8.484 3.981 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.461 9.677 0.341 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.914 9.888 2.796 1.00 0.00 H new ATOM 1155 N SER A 80 1.848 8.347 4.088 1.00 0.00 N ATOM 1156 CA SER A 80 0.500 7.839 4.311 1.00 0.00 C ATOM 1157 C SER A 80 -0.117 7.344 3.006 1.00 0.00 C ATOM 1158 O SER A 80 -0.384 8.130 2.097 1.00 0.00 O ATOM 1159 CB SER A 80 -0.383 8.927 4.925 1.00 0.00 C ATOM 1160 OG SER A 80 -0.315 8.900 6.341 1.00 0.00 O ATOM 0 H SER A 80 1.885 9.254 3.623 1.00 0.00 H new ATOM 0 HA SER A 80 0.565 7.000 5.004 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.067 9.905 4.561 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.415 8.786 4.605 1.00 0.00 H new ATOM 0 HG SER A 80 -0.886 9.606 6.709 1.00 0.00 H new ATOM 1166 N ILE A 81 -0.340 6.037 2.923 1.00 0.00 N ATOM 1167 CA ILE A 81 -0.926 5.437 1.731 1.00 0.00 C ATOM 1168 C ILE A 81 -2.446 5.383 1.833 1.00 0.00 C ATOM 1169 O ILE A 81 -3.000 4.575 2.578 1.00 0.00 O ATOM 1170 CB ILE A 81 -0.388 4.014 1.494 1.00 0.00 C ATOM 1171 CG1 ILE A 81 1.107 3.949 1.817 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -0.643 3.582 0.058 1.00 0.00 C ATOM 1173 CD1 ILE A 81 1.981 4.593 0.764 1.00 0.00 C ATOM 0 H ILE A 81 -0.124 5.373 3.667 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.643 6.068 0.889 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.915 3.329 2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.285 4.438 2.775 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.400 2.906 1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.257 2.574 -0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.715 3.593 -0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.141 4.269 -0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.027 4.510 1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.832 4.089 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.715 5.645 0.664 1.00 0.00 H new ATOM 1185 N ASP A 82 -3.115 6.248 1.078 1.00 0.00 N ATOM 1186 CA ASP A 82 -4.573 6.297 1.081 1.00 0.00 C ATOM 1187 C ASP A 82 -5.154 5.259 0.126 1.00 0.00 C ATOM 1188 O ASP A 82 -5.187 5.466 -1.087 1.00 0.00 O ATOM 1189 CB ASP A 82 -5.058 7.694 0.691 1.00 0.00 C ATOM 1190 CG ASP A 82 -4.882 8.702 1.810 1.00 0.00 C ATOM 1191 OD1 ASP A 82 -3.807 8.700 2.446 1.00 0.00 O ATOM 1192 OD2 ASP A 82 -5.819 9.491 2.051 1.00 0.00 O ATOM 0 H ASP A 82 -2.671 6.924 0.457 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.917 6.069 2.090 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.511 8.033 -0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.111 7.645 0.412 1.00 0.00 H new ATOM 1197 N VAL A 83 -5.609 4.141 0.682 1.00 0.00 N ATOM 1198 CA VAL A 83 -6.189 3.070 -0.120 1.00 0.00 C ATOM 1199 C VAL A 83 -7.709 3.057 -0.004 1.00 0.00 C ATOM 1200 O VAL A 83 -8.259 2.844 1.077 1.00 0.00 O ATOM 1201 CB VAL A 83 -5.642 1.693 0.303 1.00 0.00 C ATOM 1202 CG1 VAL A 83 -6.365 0.580 -0.440 1.00 0.00 C ATOM 1203 CG2 VAL A 83 -4.142 1.620 0.061 1.00 0.00 C ATOM 0 H VAL A 83 -5.587 3.953 1.684 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.908 3.263 -1.155 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.822 1.561 1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.965 -0.385 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.430 0.622 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.219 0.704 -1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.772 0.641 0.365 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.937 1.773 -0.999 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.641 2.394 0.643 1.00 0.00 H new ATOM 1213 N LYS A 84 -8.384 3.287 -1.125 1.00 0.00 N ATOM 1214 CA LYS A 84 -9.842 3.301 -1.151 1.00 0.00 C ATOM 1215 C LYS A 84 -10.378 2.270 -2.139 1.00 0.00 C ATOM 1216 O LYS A 84 -9.755 1.996 -3.165 1.00 0.00 O ATOM 1217 CB LYS A 84 -10.352 4.694 -1.525 1.00 0.00 C ATOM 1218 CG LYS A 84 -10.365 5.670 -0.362 1.00 0.00 C ATOM 1219 CD LYS A 84 -11.214 6.893 -0.668 1.00 0.00 C ATOM 1220 CE LYS A 84 -12.682 6.643 -0.361 1.00 0.00 C ATOM 1221 NZ LYS A 84 -13.456 7.913 -0.282 1.00 0.00 N ATOM 0 H LYS A 84 -7.945 3.466 -2.028 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.201 3.045 -0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.727 5.099 -2.321 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.362 4.606 -1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.751 5.172 0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.345 5.981 -0.136 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.858 7.740 -0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.101 7.162 -1.718 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.111 6.004 -1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.769 6.105 0.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.452 7.700 -0.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -13.063 8.513 0.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.394 8.414 -1.191 1.00 0.00 H new ATOM 1235 N PHE A 85 -11.538 1.702 -1.824 1.00 0.00 N ATOM 1236 CA PHE A 85 -12.158 0.701 -2.684 1.00 0.00 C ATOM 1237 C PHE A 85 -13.625 1.034 -2.935 1.00 0.00 C ATOM 1238 O PHE A 85 -14.411 1.168 -1.998 1.00 0.00 O ATOM 1239 CB PHE A 85 -12.039 -0.688 -2.054 1.00 0.00 C ATOM 1240 CG PHE A 85 -12.379 -1.806 -2.998 1.00 0.00 C ATOM 1241 CD1 PHE A 85 -11.759 -1.899 -4.234 1.00 0.00 C ATOM 1242 CD2 PHE A 85 -13.319 -2.762 -2.650 1.00 0.00 C ATOM 1243 CE1 PHE A 85 -12.070 -2.926 -5.105 1.00 0.00 C ATOM 1244 CE2 PHE A 85 -13.633 -3.792 -3.516 1.00 0.00 C ATOM 1245 CZ PHE A 85 -13.009 -3.874 -4.746 1.00 0.00 C ATOM 0 H PHE A 85 -12.067 1.918 -0.979 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.634 0.705 -3.640 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.021 -0.827 -1.690 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.697 -0.742 -1.187 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -11.025 -1.161 -4.520 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.812 -2.702 -1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -11.580 -2.988 -6.065 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.366 -4.533 -3.232 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.255 -4.677 -5.425 1.00 0.00 H new ATOM 1255 N ASN A 86 -13.987 1.167 -4.207 1.00 0.00 N ATOM 1256 CA ASN A 86 -15.359 1.485 -4.583 1.00 0.00 C ATOM 1257 C ASN A 86 -15.952 2.531 -3.643 1.00 0.00 C ATOM 1258 O ASN A 86 -17.127 2.464 -3.284 1.00 0.00 O ATOM 1259 CB ASN A 86 -16.221 0.221 -4.566 1.00 0.00 C ATOM 1260 CG ASN A 86 -17.359 0.283 -5.567 1.00 0.00 C ATOM 1261 OD1 ASN A 86 -18.410 0.862 -5.293 1.00 0.00 O ATOM 1262 ND2 ASN A 86 -17.153 -0.316 -6.734 1.00 0.00 N ATOM 0 H ASN A 86 -13.348 1.059 -4.995 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.347 1.895 -5.593 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -15.596 -0.645 -4.784 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -16.628 0.076 -3.565 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.882 -0.308 -7.447 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.265 -0.784 -6.917 1.00 0.00 H new ATOM 1269 N GLY A 87 -15.129 3.498 -3.248 1.00 0.00 N ATOM 1270 CA GLY A 87 -15.589 4.545 -2.355 1.00 0.00 C ATOM 1271 C GLY A 87 -15.706 4.071 -0.919 1.00 0.00 C ATOM 1272 O GLY A 87 -16.647 4.433 -0.214 1.00 0.00 O ATOM 0 H GLY A 87 -14.152 3.575 -3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -14.899 5.387 -2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -16.559 4.908 -2.695 1.00 0.00 H new ATOM 1276 N ALA A 88 -14.747 3.259 -0.486 1.00 0.00 N ATOM 1277 CA ALA A 88 -14.746 2.736 0.874 1.00 0.00 C ATOM 1278 C ALA A 88 -13.323 2.551 1.391 1.00 0.00 C ATOM 1279 O ALA A 88 -12.492 1.921 0.736 1.00 0.00 O ATOM 1280 CB ALA A 88 -15.507 1.419 0.934 1.00 0.00 C ATOM 0 H ALA A 88 -13.961 2.949 -1.058 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.246 3.462 1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.498 1.040 1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.537 1.579 0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -15.032 0.694 0.274 1.00 0.00 H new ATOM 1286 N HIS A 89 -13.049 3.103 2.568 1.00 0.00 N ATOM 1287 CA HIS A 89 -11.726 2.999 3.172 1.00 0.00 C ATOM 1288 C HIS A 89 -11.502 1.606 3.754 1.00 0.00 C ATOM 1289 O HIS A 89 -12.316 1.112 4.534 1.00 0.00 O ATOM 1290 CB HIS A 89 -11.556 4.054 4.265 1.00 0.00 C ATOM 1291 CG HIS A 89 -10.992 5.349 3.766 1.00 0.00 C ATOM 1292 ND1 HIS A 89 -9.669 5.703 3.921 1.00 0.00 N ATOM 1293 CD2 HIS A 89 -11.581 6.376 3.109 1.00 0.00 C ATOM 1294 CE1 HIS A 89 -9.468 6.893 3.383 1.00 0.00 C ATOM 1295 NE2 HIS A 89 -10.612 7.323 2.883 1.00 0.00 N ATOM 0 H HIS A 89 -13.726 3.627 3.123 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.984 3.172 2.393 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.524 4.244 4.729 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.902 3.658 5.042 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.619 6.439 2.817 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.528 7.424 3.357 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -10.753 8.214 2.406 1.00 0.00 H new ATOM 1304 N ILE A 90 -10.396 0.980 3.367 1.00 0.00 N ATOM 1305 CA ILE A 90 -10.066 -0.355 3.851 1.00 0.00 C ATOM 1306 C ILE A 90 -9.598 -0.314 5.302 1.00 0.00 C ATOM 1307 O ILE A 90 -9.037 0.676 5.771 1.00 0.00 O ATOM 1308 CB ILE A 90 -8.972 -1.012 2.989 1.00 0.00 C ATOM 1309 CG1 ILE A 90 -7.641 -0.279 3.169 1.00 0.00 C ATOM 1310 CG2 ILE A 90 -9.385 -1.019 1.524 1.00 0.00 C ATOM 1311 CD1 ILE A 90 -6.432 -1.157 2.934 1.00 0.00 C ATOM 0 H ILE A 90 -9.714 1.375 2.720 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.977 -0.949 3.782 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.844 -2.044 3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.605 0.566 2.482 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.593 0.129 4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.602 -1.486 0.927 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.312 -1.581 1.410 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.537 0.005 1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.524 -0.572 3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.444 -1.989 3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.456 -1.544 1.915 1.00 0.00 H new ATOM 1323 N PRO A 91 -9.831 -1.416 6.030 1.00 0.00 N ATOM 1324 CA PRO A 91 -9.439 -1.532 7.438 1.00 0.00 C ATOM 1325 C PRO A 91 -7.927 -1.617 7.613 1.00 0.00 C ATOM 1326 O PRO A 91 -7.318 -2.652 7.345 1.00 0.00 O ATOM 1327 CB PRO A 91 -10.104 -2.837 7.884 1.00 0.00 C ATOM 1328 CG PRO A 91 -10.256 -3.632 6.634 1.00 0.00 C ATOM 1329 CD PRO A 91 -10.495 -2.634 5.535 1.00 0.00 C ATOM 0 HA PRO A 91 -9.743 -0.662 8.020 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.491 -3.363 8.616 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.070 -2.649 8.353 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.362 -4.223 6.436 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.089 -4.331 6.715 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -10.069 -2.968 4.589 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.559 -2.471 5.365 1.00 0.00 H new ATOM 1337 N GLY A 92 -7.325 -0.521 8.066 1.00 0.00 N ATOM 1338 CA GLY A 92 -5.889 -0.494 8.270 1.00 0.00 C ATOM 1339 C GLY A 92 -5.232 0.699 7.605 1.00 0.00 C ATOM 1340 O GLY A 92 -4.128 1.097 7.978 1.00 0.00 O ATOM 0 H GLY A 92 -7.807 0.348 8.295 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.677 -0.473 9.339 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.452 -1.412 7.877 1.00 0.00 H new ATOM 1344 N SER A 93 -5.910 1.272 6.616 1.00 0.00 N ATOM 1345 CA SER A 93 -5.383 2.424 5.893 1.00 0.00 C ATOM 1346 C SER A 93 -5.692 3.719 6.638 1.00 0.00 C ATOM 1347 O SER A 93 -6.662 3.818 7.388 1.00 0.00 O ATOM 1348 CB SER A 93 -5.971 2.480 4.482 1.00 0.00 C ATOM 1349 OG SER A 93 -6.099 3.819 4.036 1.00 0.00 O ATOM 0 H SER A 93 -6.826 0.957 6.297 1.00 0.00 H new ATOM 0 HA SER A 93 -4.301 2.315 5.823 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.332 1.924 3.796 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.947 1.995 4.472 1.00 0.00 H new ATOM 0 HG SER A 93 -6.746 3.859 3.301 1.00 0.00 H new ATOM 1355 N PRO A 94 -4.846 4.738 6.425 1.00 0.00 N ATOM 1356 CA PRO A 94 -3.686 4.632 5.534 1.00 0.00 C ATOM 1357 C PRO A 94 -2.602 3.722 6.100 1.00 0.00 C ATOM 1358 O PRO A 94 -2.438 3.616 7.315 1.00 0.00 O ATOM 1359 CB PRO A 94 -3.179 6.073 5.440 1.00 0.00 C ATOM 1360 CG PRO A 94 -3.643 6.722 6.698 1.00 0.00 C ATOM 1361 CD PRO A 94 -4.955 6.072 7.039 1.00 0.00 C ATOM 0 HA PRO A 94 -3.950 4.195 4.571 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -2.093 6.106 5.355 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.582 6.578 4.562 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.918 6.582 7.500 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.764 7.797 6.561 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -5.103 6.007 8.117 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.798 6.633 6.635 1.00 0.00 H new ATOM 1369 N PHE A 95 -1.864 3.066 5.210 1.00 0.00 N ATOM 1370 CA PHE A 95 -0.795 2.163 5.621 1.00 0.00 C ATOM 1371 C PHE A 95 0.502 2.930 5.864 1.00 0.00 C ATOM 1372 O PHE A 95 1.205 3.298 4.923 1.00 0.00 O ATOM 1373 CB PHE A 95 -0.571 1.086 4.558 1.00 0.00 C ATOM 1374 CG PHE A 95 -1.627 0.017 4.556 1.00 0.00 C ATOM 1375 CD1 PHE A 95 -1.853 -0.754 5.684 1.00 0.00 C ATOM 1376 CD2 PHE A 95 -2.393 -0.216 3.425 1.00 0.00 C ATOM 1377 CE1 PHE A 95 -2.824 -1.738 5.686 1.00 0.00 C ATOM 1378 CE2 PHE A 95 -3.366 -1.198 3.420 1.00 0.00 C ATOM 1379 CZ PHE A 95 -3.581 -1.960 4.552 1.00 0.00 C ATOM 0 H PHE A 95 -1.987 3.143 4.200 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.095 1.686 6.554 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.540 1.557 3.576 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.403 0.624 4.720 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.264 -0.584 6.573 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.228 0.376 2.537 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.990 -2.332 6.572 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.957 -1.369 2.532 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.340 -2.728 4.550 1.00 0.00 H new ATOM 1389 N LYS A 96 0.811 3.169 7.134 1.00 0.00 N ATOM 1390 CA LYS A 96 2.022 3.892 7.504 1.00 0.00 C ATOM 1391 C LYS A 96 3.267 3.077 7.165 1.00 0.00 C ATOM 1392 O LYS A 96 3.545 2.059 7.799 1.00 0.00 O ATOM 1393 CB LYS A 96 2.008 4.223 8.998 1.00 0.00 C ATOM 1394 CG LYS A 96 0.905 5.189 9.396 1.00 0.00 C ATOM 1395 CD LYS A 96 1.297 6.630 9.113 1.00 0.00 C ATOM 1396 CE LYS A 96 0.492 7.603 9.961 1.00 0.00 C ATOM 1397 NZ LYS A 96 1.090 8.967 9.958 1.00 0.00 N ATOM 0 H LYS A 96 0.239 2.872 7.925 1.00 0.00 H new ATOM 0 HA LYS A 96 2.049 4.820 6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.893 3.299 9.565 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.972 4.650 9.276 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.007 4.945 8.851 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.684 5.073 10.457 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.360 6.765 9.313 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.140 6.850 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.530 7.654 9.585 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.437 7.233 10.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.513 9.601 10.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.056 8.923 10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.120 9.331 8.984 1.00 0.00 H new ATOM 1411 N ILE A 97 4.012 3.533 6.164 1.00 0.00 N ATOM 1412 CA ILE A 97 5.228 2.847 5.744 1.00 0.00 C ATOM 1413 C ILE A 97 6.467 3.672 6.075 1.00 0.00 C ATOM 1414 O ILE A 97 6.523 4.868 5.789 1.00 0.00 O ATOM 1415 CB ILE A 97 5.213 2.549 4.233 1.00 0.00 C ATOM 1416 CG1 ILE A 97 4.967 3.834 3.440 1.00 0.00 C ATOM 1417 CG2 ILE A 97 4.150 1.509 3.909 1.00 0.00 C ATOM 1418 CD1 ILE A 97 5.149 3.667 1.947 1.00 0.00 C ATOM 0 H ILE A 97 3.795 4.374 5.629 1.00 0.00 H new ATOM 0 HA ILE A 97 5.264 1.905 6.292 1.00 0.00 H new ATOM 0 HB ILE A 97 6.185 2.148 3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.954 4.185 3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.647 4.607 3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.151 1.309 2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.365 0.588 4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.171 1.885 4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.959 4.618 1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.170 3.346 1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.450 2.917 1.577 1.00 0.00 H new ATOM 1430 N ARG A 98 7.458 3.025 6.679 1.00 0.00 N ATOM 1431 CA ARG A 98 8.697 3.698 7.049 1.00 0.00 C ATOM 1432 C ARG A 98 9.640 3.796 5.853 1.00 0.00 C ATOM 1433 O ARG A 98 9.846 2.821 5.130 1.00 0.00 O ATOM 1434 CB ARG A 98 9.384 2.954 8.195 1.00 0.00 C ATOM 1435 CG ARG A 98 10.343 3.820 8.995 1.00 0.00 C ATOM 1436 CD ARG A 98 11.034 3.022 10.089 1.00 0.00 C ATOM 1437 NE ARG A 98 10.102 2.599 11.131 1.00 0.00 N ATOM 1438 CZ ARG A 98 10.419 1.747 12.099 1.00 0.00 C ATOM 1439 NH1 ARG A 98 11.638 1.230 12.159 1.00 0.00 N ATOM 1440 NH2 ARG A 98 9.515 1.411 13.011 1.00 0.00 N ATOM 0 H ARG A 98 7.427 2.035 6.923 1.00 0.00 H new ATOM 0 HA ARG A 98 8.449 4.707 7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.623 2.555 8.865 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.930 2.102 7.789 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.091 4.248 8.328 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.798 4.653 9.440 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.511 2.145 9.652 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.825 3.626 10.534 1.00 0.00 H new ATOM 0 HE ARG A 98 9.156 2.979 11.114 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.336 1.486 11.460 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.878 0.576 12.904 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.576 1.807 12.969 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.759 0.756 13.754 1.00 0.00 H new ATOM 1454 N VAL A 99 10.211 4.980 5.651 1.00 0.00 N ATOM 1455 CA VAL A 99 11.133 5.205 4.545 1.00 0.00 C ATOM 1456 C VAL A 99 12.463 5.758 5.042 1.00 0.00 C ATOM 1457 O VAL A 99 12.598 6.957 5.282 1.00 0.00 O ATOM 1458 CB VAL A 99 10.539 6.179 3.509 1.00 0.00 C ATOM 1459 CG1 VAL A 99 11.620 6.676 2.562 1.00 0.00 C ATOM 1460 CG2 VAL A 99 9.409 5.513 2.739 1.00 0.00 C ATOM 0 H VAL A 99 10.051 5.798 6.239 1.00 0.00 H new ATOM 0 HA VAL A 99 11.300 4.238 4.070 1.00 0.00 H new ATOM 0 HB VAL A 99 10.130 7.040 4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.182 7.363 1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.392 7.193 3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.062 5.829 2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.001 6.215 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.791 4.634 2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.624 5.212 3.433 1.00 0.00 H new