USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=16 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 15 THR OG1 : rot 180:sc= 0.0965 USER MOD Set 1.2: A 35 GLN : amide:sc= 0.509 K(o=1.8,f=0.39) USER MOD Set 1.3: A 37 ASN : amide:sc= 1.2 K(o=1.8,f=-1.2) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 170:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 25:sc= 0.371 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.0437 X(o=-0.044,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot -84:sc= 1.79 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -105:sc= -6.9! 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= -1.91 X(o=-1.9,f=-1.7) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 0.162 K(o=0.16,f=-2.9!) USER MOD Single : A 76 ASN :FLIP amide:sc= -3.71! C(o=-8.1!,f=-3.7!) USER MOD Single : A 79 HIS : no HE2:sc= -1.46! C(o=-1.5!,f=-5.3!) 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=0.034) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot -150:sc= -0.96 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 11 -14.533 -4.074 1.408 1.00 0.00 N ATOM 102 CA ALA A 11 -13.210 -3.479 1.553 1.00 0.00 C ATOM 103 C ALA A 11 -12.436 -4.132 2.693 1.00 0.00 C ATOM 104 O ALA A 11 -11.214 -4.012 2.774 1.00 0.00 O ATOM 105 CB ALA A 11 -13.329 -1.980 1.785 1.00 0.00 C ATOM 0 HA ALA A 11 -12.658 -3.651 0.629 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.334 -1.548 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.835 -1.520 0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.903 -1.797 2.693 1.00 0.00 H new ATOM 111 N ARG A 12 -13.156 -4.823 3.571 1.00 0.00 N ATOM 112 CA ARG A 12 -12.536 -5.494 4.708 1.00 0.00 C ATOM 113 C ARG A 12 -11.744 -6.716 4.252 1.00 0.00 C ATOM 114 O ARG A 12 -10.757 -7.098 4.880 1.00 0.00 O ATOM 115 CB ARG A 12 -13.600 -5.913 5.723 1.00 0.00 C ATOM 116 CG ARG A 12 -14.478 -4.764 6.194 1.00 0.00 C ATOM 117 CD ARG A 12 -13.672 -3.725 6.957 1.00 0.00 C ATOM 118 NE ARG A 12 -14.482 -3.028 7.953 1.00 0.00 N ATOM 119 CZ ARG A 12 -15.040 -3.629 8.998 1.00 0.00 C ATOM 120 NH1 ARG A 12 -14.876 -4.931 9.183 1.00 0.00 N ATOM 121 NH2 ARG A 12 -15.764 -2.926 9.861 1.00 0.00 N ATOM 0 H ARG A 12 -14.169 -4.933 3.517 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.849 -4.792 5.181 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.231 -6.683 5.279 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -13.110 -6.362 6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.958 -4.295 5.335 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -15.273 -5.150 6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.829 -4.210 7.450 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.257 -3.001 6.256 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.627 -2.025 7.840 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.320 -5.474 8.522 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -15.306 -5.390 9.986 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.892 -1.924 9.722 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.192 -3.388 10.663 1.00 0.00 H new ATOM 135 N ARG A 13 -12.184 -7.325 3.155 1.00 0.00 N ATOM 136 CA ARG A 13 -11.518 -8.505 2.617 1.00 0.00 C ATOM 137 C ARG A 13 -10.196 -8.128 1.955 1.00 0.00 C ATOM 138 O ARG A 13 -9.369 -8.991 1.660 1.00 0.00 O ATOM 139 CB ARG A 13 -12.424 -9.211 1.606 1.00 0.00 C ATOM 140 CG ARG A 13 -13.795 -9.562 2.158 1.00 0.00 C ATOM 141 CD ARG A 13 -14.700 -10.137 1.079 1.00 0.00 C ATOM 142 NE ARG A 13 -15.817 -10.889 1.645 1.00 0.00 N ATOM 143 CZ ARG A 13 -16.624 -11.659 0.924 1.00 0.00 C ATOM 144 NH1 ARG A 13 -16.439 -11.779 -0.383 1.00 0.00 N ATOM 145 NH2 ARG A 13 -17.619 -12.312 1.512 1.00 0.00 N ATOM 0 H ARG A 13 -12.999 -7.021 2.622 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.310 -9.184 3.444 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.547 -8.571 0.732 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.934 -10.124 1.267 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.688 -10.284 2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -14.256 -8.671 2.584 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -15.085 -9.327 0.459 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.118 -10.788 0.427 1.00 0.00 H new ATOM 0 HE ARG A 13 -15.986 -10.819 2.648 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.675 -11.279 -0.838 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -17.061 -12.371 -0.934 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -17.764 -12.222 2.518 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -18.239 -12.903 0.958 1.00 0.00 H new ATOM 159 N LEU A 14 -10.004 -6.834 1.724 1.00 0.00 N ATOM 160 CA LEU A 14 -8.782 -6.341 1.097 1.00 0.00 C ATOM 161 C LEU A 14 -7.600 -6.438 2.056 1.00 0.00 C ATOM 162 O LEU A 14 -7.748 -6.241 3.263 1.00 0.00 O ATOM 163 CB LEU A 14 -8.967 -4.893 0.641 1.00 0.00 C ATOM 164 CG LEU A 14 -10.212 -4.607 -0.199 1.00 0.00 C ATOM 165 CD1 LEU A 14 -10.485 -3.112 -0.258 1.00 0.00 C ATOM 166 CD2 LEU A 14 -10.052 -5.178 -1.601 1.00 0.00 C ATOM 0 H LEU A 14 -10.679 -6.107 1.961 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.572 -6.964 0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.996 -4.256 1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.089 -4.600 0.065 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.065 -5.092 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.375 -2.928 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.644 -2.731 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.632 -2.604 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.947 -4.965 -2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.187 -4.722 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.906 -6.257 -1.540 1.00 0.00 H new ATOM 178 N THR A 15 -6.426 -6.740 1.511 1.00 0.00 N ATOM 179 CA THR A 15 -5.218 -6.862 2.318 1.00 0.00 C ATOM 180 C THR A 15 -3.967 -6.684 1.465 1.00 0.00 C ATOM 181 O THR A 15 -4.033 -6.707 0.236 1.00 0.00 O ATOM 182 CB THR A 15 -5.151 -8.227 3.028 1.00 0.00 C ATOM 183 OG1 THR A 15 -5.328 -9.283 2.076 1.00 0.00 O ATOM 184 CG2 THR A 15 -6.217 -8.328 4.109 1.00 0.00 C ATOM 0 H THR A 15 -6.286 -6.905 0.514 1.00 0.00 H new ATOM 0 HA THR A 15 -5.259 -6.073 3.068 1.00 0.00 H new ATOM 0 HB THR A 15 -4.171 -8.321 3.497 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.283 -10.148 2.535 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.150 -9.301 4.596 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.062 -7.541 4.847 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.203 -8.215 3.659 1.00 0.00 H new ATOM 192 N VAL A 16 -2.827 -6.505 2.125 1.00 0.00 N ATOM 193 CA VAL A 16 -1.560 -6.325 1.427 1.00 0.00 C ATOM 194 C VAL A 16 -0.439 -7.098 2.113 1.00 0.00 C ATOM 195 O VAL A 16 -0.263 -7.012 3.329 1.00 0.00 O ATOM 196 CB VAL A 16 -1.169 -4.837 1.349 1.00 0.00 C ATOM 197 CG1 VAL A 16 0.033 -4.648 0.436 1.00 0.00 C ATOM 198 CG2 VAL A 16 -2.347 -4.001 0.873 1.00 0.00 C ATOM 0 H VAL A 16 -2.755 -6.481 3.142 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.698 -6.711 0.417 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.893 -4.499 2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.295 -3.591 0.393 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.878 -5.216 0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.212 -5.002 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.053 -2.953 0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.656 -4.338 -0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.178 -4.112 1.570 1.00 0.00 H new ATOM 208 N THR A 17 0.318 -7.855 1.325 1.00 0.00 N ATOM 209 CA THR A 17 1.422 -8.645 1.856 1.00 0.00 C ATOM 210 C THR A 17 2.757 -8.174 1.292 1.00 0.00 C ATOM 211 O THR A 17 3.631 -7.723 2.032 1.00 0.00 O ATOM 212 CB THR A 17 1.244 -10.142 1.541 1.00 0.00 C ATOM 213 OG1 THR A 17 -0.056 -10.579 1.952 1.00 0.00 O ATOM 214 CG2 THR A 17 2.309 -10.973 2.242 1.00 0.00 C ATOM 0 H THR A 17 0.187 -7.938 0.317 1.00 0.00 H new ATOM 0 HA THR A 17 1.418 -8.506 2.937 1.00 0.00 H new ATOM 0 HB THR A 17 1.349 -10.279 0.465 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.161 -11.531 1.746 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.163 -12.027 2.005 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.297 -10.659 1.904 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.231 -10.830 3.320 1.00 0.00 H new ATOM 222 N SER A 18 2.908 -8.280 -0.025 1.00 0.00 N ATOM 223 CA SER A 18 4.139 -7.867 -0.689 1.00 0.00 C ATOM 224 C SER A 18 4.740 -6.641 -0.006 1.00 0.00 C ATOM 225 O SER A 18 5.954 -6.551 0.177 1.00 0.00 O ATOM 226 CB SER A 18 3.871 -7.562 -2.164 1.00 0.00 C ATOM 227 OG SER A 18 5.078 -7.307 -2.860 1.00 0.00 O ATOM 0 H SER A 18 2.193 -8.648 -0.653 1.00 0.00 H new ATOM 0 HA SER A 18 4.853 -8.688 -0.619 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.353 -8.404 -2.624 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.211 -6.698 -2.246 1.00 0.00 H new ATOM 0 HG SER A 18 4.900 -7.275 -3.823 1.00 0.00 H new ATOM 233 N LEU A 19 3.880 -5.700 0.368 1.00 0.00 N ATOM 234 CA LEU A 19 4.324 -4.479 1.031 1.00 0.00 C ATOM 235 C LEU A 19 5.214 -4.801 2.227 1.00 0.00 C ATOM 236 O LEU A 19 4.959 -5.753 2.963 1.00 0.00 O ATOM 237 CB LEU A 19 3.118 -3.655 1.486 1.00 0.00 C ATOM 238 CG LEU A 19 3.430 -2.414 2.324 1.00 0.00 C ATOM 239 CD1 LEU A 19 4.232 -1.409 1.511 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.145 -1.782 2.839 1.00 0.00 C ATOM 0 H LEU A 19 2.872 -5.759 0.224 1.00 0.00 H new ATOM 0 HA LEU A 19 4.905 -3.897 0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.563 -3.342 0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.458 -4.302 2.064 1.00 0.00 H new ATOM 0 HG LEU A 19 4.030 -2.719 3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.445 -0.533 2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.169 -1.865 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.657 -1.109 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.386 -0.900 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.519 -1.491 1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.608 -2.501 3.458 1.00 0.00 H new ATOM 252 N GLN A 20 6.258 -3.999 2.414 1.00 0.00 N ATOM 253 CA GLN A 20 7.185 -4.199 3.522 1.00 0.00 C ATOM 254 C GLN A 20 7.000 -3.122 4.587 1.00 0.00 C ATOM 255 O GLN A 20 7.536 -2.021 4.468 1.00 0.00 O ATOM 256 CB GLN A 20 8.628 -4.189 3.015 1.00 0.00 C ATOM 257 CG GLN A 20 9.598 -4.921 3.928 1.00 0.00 C ATOM 258 CD GLN A 20 10.792 -5.482 3.181 1.00 0.00 C ATOM 259 OE1 GLN A 20 10.911 -6.694 2.999 1.00 0.00 O ATOM 260 NE2 GLN A 20 11.685 -4.602 2.744 1.00 0.00 N ATOM 0 H GLN A 20 6.483 -3.206 1.813 1.00 0.00 H new ATOM 0 HA GLN A 20 6.972 -5.169 3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.660 -4.644 2.025 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.957 -3.156 2.902 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.947 -4.239 4.703 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.074 -5.734 4.431 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.547 -3.606 2.917 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.509 -4.922 2.235 1.00 0.00 H new ATOM 269 N GLU A 21 6.238 -3.449 5.625 1.00 0.00 N ATOM 270 CA GLU A 21 5.982 -2.509 6.710 1.00 0.00 C ATOM 271 C GLU A 21 7.272 -1.826 7.154 1.00 0.00 C ATOM 272 O GLU A 21 7.302 -0.616 7.381 1.00 0.00 O ATOM 273 CB GLU A 21 5.339 -3.228 7.898 1.00 0.00 C ATOM 274 CG GLU A 21 3.891 -3.622 7.659 1.00 0.00 C ATOM 275 CD GLU A 21 3.359 -4.563 8.723 1.00 0.00 C ATOM 276 OE1 GLU A 21 4.164 -5.324 9.299 1.00 0.00 O ATOM 277 OE2 GLU A 21 2.137 -4.538 8.979 1.00 0.00 O ATOM 0 H GLU A 21 5.787 -4.357 5.738 1.00 0.00 H new ATOM 0 HA GLU A 21 5.295 -1.747 6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.917 -4.123 8.127 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.391 -2.582 8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.274 -2.724 7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.804 -4.098 6.682 1.00 0.00 H new ATOM 284 N THR A 22 8.339 -2.611 7.276 1.00 0.00 N ATOM 285 CA THR A 22 9.632 -2.084 7.694 1.00 0.00 C ATOM 286 C THR A 22 10.763 -2.684 6.867 1.00 0.00 C ATOM 287 O THR A 22 10.940 -3.900 6.830 1.00 0.00 O ATOM 288 CB THR A 22 9.897 -2.363 9.185 1.00 0.00 C ATOM 289 OG1 THR A 22 9.880 -3.774 9.430 1.00 0.00 O ATOM 290 CG2 THR A 22 8.855 -1.680 10.057 1.00 0.00 C ATOM 0 H THR A 22 8.332 -3.614 7.091 1.00 0.00 H new ATOM 0 HA THR A 22 9.601 -1.006 7.534 1.00 0.00 H new ATOM 0 HB THR A 22 10.879 -1.962 9.438 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.102 -4.252 8.604 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.063 -1.892 11.106 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.890 -0.603 9.890 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.864 -2.055 9.801 1.00 0.00 H new ATOM 298 N GLY A 23 11.528 -1.821 6.204 1.00 0.00 N ATOM 299 CA GLY A 23 12.633 -2.285 5.387 1.00 0.00 C ATOM 300 C GLY A 23 12.843 -1.428 4.154 1.00 0.00 C ATOM 301 O GLY A 23 13.940 -1.390 3.595 1.00 0.00 O ATOM 0 H GLY A 23 11.401 -0.809 6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.545 -2.288 5.983 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.448 -3.315 5.082 1.00 0.00 H new ATOM 305 N LEU A 24 11.790 -0.740 3.728 1.00 0.00 N ATOM 306 CA LEU A 24 11.864 0.121 2.552 1.00 0.00 C ATOM 307 C LEU A 24 12.890 1.231 2.753 1.00 0.00 C ATOM 308 O LEU A 24 13.060 1.741 3.860 1.00 0.00 O ATOM 309 CB LEU A 24 10.491 0.727 2.253 1.00 0.00 C ATOM 310 CG LEU A 24 9.365 -0.268 1.970 1.00 0.00 C ATOM 311 CD1 LEU A 24 8.146 0.451 1.414 1.00 0.00 C ATOM 312 CD2 LEU A 24 9.836 -1.347 1.007 1.00 0.00 C ATOM 0 H LEU A 24 10.875 -0.761 4.179 1.00 0.00 H new ATOM 0 HA LEU A 24 12.178 -0.489 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.197 1.346 3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.588 1.389 1.393 1.00 0.00 H new ATOM 0 HG LEU A 24 9.083 -0.746 2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.355 -0.273 1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.795 1.186 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.413 0.956 0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.022 -2.046 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.146 -0.887 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.679 -1.882 1.444 1.00 0.00 H new ATOM 324 N LYS A 25 13.571 1.602 1.674 1.00 0.00 N ATOM 325 CA LYS A 25 14.579 2.654 1.728 1.00 0.00 C ATOM 326 C LYS A 25 14.156 3.856 0.891 1.00 0.00 C ATOM 327 O LYS A 25 13.256 3.759 0.057 1.00 0.00 O ATOM 328 CB LYS A 25 15.927 2.123 1.235 1.00 0.00 C ATOM 329 CG LYS A 25 16.498 1.014 2.101 1.00 0.00 C ATOM 330 CD LYS A 25 17.589 0.246 1.375 1.00 0.00 C ATOM 331 CE LYS A 25 17.005 -0.783 0.419 1.00 0.00 C ATOM 332 NZ LYS A 25 17.947 -1.910 0.174 1.00 0.00 N ATOM 0 H LYS A 25 13.443 1.189 0.750 1.00 0.00 H new ATOM 0 HA LYS A 25 14.680 2.974 2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.812 1.754 0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.640 2.946 1.197 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.901 1.440 3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 25 15.700 0.329 2.390 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.219 0.942 0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.229 -0.254 2.102 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.073 -1.172 0.829 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.761 -0.301 -0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.512 -2.590 -0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.827 -1.543 -0.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.160 -2.386 1.074 1.00 0.00 H new ATOM 346 N VAL A 26 14.813 4.990 1.116 1.00 0.00 N ATOM 347 CA VAL A 26 14.507 6.210 0.380 1.00 0.00 C ATOM 348 C VAL A 26 15.048 6.144 -1.043 1.00 0.00 C ATOM 349 O VAL A 26 16.090 5.540 -1.295 1.00 0.00 O ATOM 350 CB VAL A 26 15.092 7.450 1.082 1.00 0.00 C ATOM 351 CG1 VAL A 26 16.569 7.603 0.755 1.00 0.00 C ATOM 352 CG2 VAL A 26 14.318 8.699 0.688 1.00 0.00 C ATOM 0 H VAL A 26 15.561 5.088 1.803 1.00 0.00 H new ATOM 0 HA VAL A 26 13.421 6.297 0.349 1.00 0.00 H new ATOM 0 HB VAL A 26 14.996 7.315 2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.964 8.484 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.110 6.719 1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.693 7.716 -0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 26 14.744 9.566 1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.380 8.840 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.274 8.587 0.979 1.00 0.00 H new ATOM 362 N ASN A 27 14.332 6.769 -1.972 1.00 0.00 N ATOM 363 CA ASN A 27 14.740 6.781 -3.373 1.00 0.00 C ATOM 364 C ASN A 27 14.773 5.366 -3.942 1.00 0.00 C ATOM 365 O ASN A 27 15.713 4.990 -4.641 1.00 0.00 O ATOM 366 CB ASN A 27 16.116 7.434 -3.519 1.00 0.00 C ATOM 367 CG ASN A 27 16.028 8.939 -3.679 1.00 0.00 C ATOM 368 OD1 ASN A 27 15.755 9.636 -2.582 1.00 0.00 O flip ATOM 369 ND2 ASN A 27 16.203 9.469 -4.777 1.00 0.00 N flip ATOM 0 H ASN A 27 13.467 7.274 -1.781 1.00 0.00 H new ATOM 0 HA ASN A 27 14.008 7.362 -3.934 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.721 7.199 -2.643 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.627 7.009 -4.383 1.00 0.00 H new ATOM 0 HD21 ASN A 27 16.411 8.894 -5.594 1.00 0.00 H new ATOM 0 HD22 ASN A 27 16.140 10.483 -4.870 1.00 0.00 H new ATOM 376 N GLN A 28 13.740 4.587 -3.636 1.00 0.00 N ATOM 377 CA GLN A 28 13.651 3.213 -4.117 1.00 0.00 C ATOM 378 C GLN A 28 12.252 2.909 -4.641 1.00 0.00 C ATOM 379 O GLN A 28 11.243 3.243 -4.019 1.00 0.00 O ATOM 380 CB GLN A 28 14.014 2.234 -2.999 1.00 0.00 C ATOM 381 CG GLN A 28 15.511 2.093 -2.776 1.00 0.00 C ATOM 382 CD GLN A 28 16.153 1.108 -3.733 1.00 0.00 C ATOM 383 OE1 GLN A 28 16.584 1.478 -4.826 1.00 0.00 O ATOM 384 NE2 GLN A 28 16.220 -0.154 -3.327 1.00 0.00 N ATOM 0 H GLN A 28 12.954 4.884 -3.058 1.00 0.00 H new ATOM 0 HA GLN A 28 14.359 3.096 -4.937 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.547 2.565 -2.072 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.596 1.255 -3.235 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.985 3.068 -2.891 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.693 1.769 -1.751 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.850 -0.416 -2.413 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.641 -0.862 -3.929 1.00 0.00 H new ATOM 393 N PRO A 29 12.186 2.262 -5.814 1.00 0.00 N ATOM 394 CA PRO A 29 10.915 1.899 -6.448 1.00 0.00 C ATOM 395 C PRO A 29 10.182 0.799 -5.688 1.00 0.00 C ATOM 396 O PRO A 29 10.327 -0.384 -5.996 1.00 0.00 O ATOM 397 CB PRO A 29 11.338 1.401 -7.832 1.00 0.00 C ATOM 398 CG PRO A 29 12.742 0.935 -7.655 1.00 0.00 C ATOM 399 CD PRO A 29 13.348 1.834 -6.612 1.00 0.00 C ATOM 0 HA PRO A 29 10.220 2.738 -6.476 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.693 0.592 -8.176 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.276 2.196 -8.575 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.770 -0.107 -7.336 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.295 0.997 -8.592 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.081 1.305 -6.003 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.861 2.684 -7.063 1.00 0.00 H new ATOM 407 N ALA A 30 9.394 1.196 -4.694 1.00 0.00 N ATOM 408 CA ALA A 30 8.636 0.244 -3.892 1.00 0.00 C ATOM 409 C ALA A 30 7.305 -0.095 -4.555 1.00 0.00 C ATOM 410 O ALA A 30 6.567 0.794 -4.977 1.00 0.00 O ATOM 411 CB ALA A 30 8.406 0.798 -2.494 1.00 0.00 C ATOM 0 H ALA A 30 9.264 2.171 -4.425 1.00 0.00 H new ATOM 0 HA ALA A 30 9.218 -0.674 -3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.839 0.077 -1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.367 0.983 -2.013 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.848 1.732 -2.560 1.00 0.00 H new ATOM 417 N SER A 31 7.006 -1.387 -4.643 1.00 0.00 N ATOM 418 CA SER A 31 5.765 -1.844 -5.259 1.00 0.00 C ATOM 419 C SER A 31 5.230 -3.083 -4.547 1.00 0.00 C ATOM 420 O SER A 31 5.997 -3.930 -4.089 1.00 0.00 O ATOM 421 CB SER A 31 5.989 -2.150 -6.741 1.00 0.00 C ATOM 422 OG SER A 31 6.414 -3.489 -6.927 1.00 0.00 O ATOM 0 H SER A 31 7.605 -2.136 -4.296 1.00 0.00 H new ATOM 0 HA SER A 31 5.027 -1.047 -5.168 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.066 -1.978 -7.295 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.736 -1.468 -7.147 1.00 0.00 H new ATOM 0 HG SER A 31 6.549 -3.660 -7.883 1.00 0.00 H new ATOM 428 N PHE A 32 3.908 -3.182 -4.459 1.00 0.00 N ATOM 429 CA PHE A 32 3.268 -4.316 -3.803 1.00 0.00 C ATOM 430 C PHE A 32 1.954 -4.673 -4.492 1.00 0.00 C ATOM 431 O PHE A 32 1.535 -4.005 -5.437 1.00 0.00 O ATOM 432 CB PHE A 32 3.014 -4.002 -2.327 1.00 0.00 C ATOM 433 CG PHE A 32 2.693 -2.558 -2.068 1.00 0.00 C ATOM 434 CD1 PHE A 32 3.703 -1.612 -1.996 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.381 -2.146 -1.898 1.00 0.00 C ATOM 436 CE1 PHE A 32 3.410 -0.282 -1.758 1.00 0.00 C ATOM 437 CE2 PHE A 32 1.082 -0.818 -1.659 1.00 0.00 C ATOM 438 CZ PHE A 32 2.098 0.115 -1.590 1.00 0.00 C ATOM 0 H PHE A 32 3.259 -2.490 -4.834 1.00 0.00 H new ATOM 0 HA PHE A 32 3.940 -5.171 -3.875 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.190 -4.619 -1.969 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.895 -4.280 -1.748 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.731 -1.917 -2.127 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.583 -2.871 -1.953 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.206 0.446 -1.704 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.055 -0.510 -1.526 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.867 1.154 -1.405 1.00 0.00 H new ATOM 448 N ALA A 33 1.310 -5.731 -4.012 1.00 0.00 N ATOM 449 CA ALA A 33 0.043 -6.177 -4.580 1.00 0.00 C ATOM 450 C ALA A 33 -1.053 -6.206 -3.521 1.00 0.00 C ATOM 451 O ALA A 33 -0.876 -6.777 -2.445 1.00 0.00 O ATOM 452 CB ALA A 33 0.204 -7.550 -5.215 1.00 0.00 C ATOM 0 H ALA A 33 1.644 -6.296 -3.231 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.252 -5.465 -5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.749 -7.871 -5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.951 -7.499 -6.007 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.526 -8.265 -4.458 1.00 0.00 H new ATOM 458 N VAL A 34 -2.187 -5.587 -3.833 1.00 0.00 N ATOM 459 CA VAL A 34 -3.313 -5.542 -2.908 1.00 0.00 C ATOM 460 C VAL A 34 -4.376 -6.567 -3.286 1.00 0.00 C ATOM 461 O VAL A 34 -5.163 -6.349 -4.206 1.00 0.00 O ATOM 462 CB VAL A 34 -3.956 -4.142 -2.872 1.00 0.00 C ATOM 463 CG1 VAL A 34 -5.046 -4.082 -1.813 1.00 0.00 C ATOM 464 CG2 VAL A 34 -2.898 -3.078 -2.622 1.00 0.00 C ATOM 0 H VAL A 34 -2.350 -5.110 -4.720 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.919 -5.778 -1.919 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.415 -3.946 -3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.488 -3.086 -1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.816 -4.819 -2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.616 -4.298 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.369 -2.095 -2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.409 -3.268 -1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.157 -3.107 -3.421 1.00 0.00 H new ATOM 474 N GLN A 35 -4.393 -7.686 -2.569 1.00 0.00 N ATOM 475 CA GLN A 35 -5.360 -8.746 -2.830 1.00 0.00 C ATOM 476 C GLN A 35 -6.756 -8.334 -2.373 1.00 0.00 C ATOM 477 O GLN A 35 -6.917 -7.700 -1.329 1.00 0.00 O ATOM 478 CB GLN A 35 -4.939 -10.035 -2.123 1.00 0.00 C ATOM 479 CG GLN A 35 -5.690 -11.266 -2.603 1.00 0.00 C ATOM 480 CD GLN A 35 -4.919 -12.550 -2.367 1.00 0.00 C ATOM 481 OE1 GLN A 35 -3.731 -12.640 -2.678 1.00 0.00 O ATOM 482 NE2 GLN A 35 -5.592 -13.552 -1.813 1.00 0.00 N ATOM 0 H GLN A 35 -3.748 -7.882 -1.803 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.387 -8.922 -3.905 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.871 -10.190 -2.274 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.096 -9.919 -1.051 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.650 -11.324 -2.090 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.903 -11.165 -3.667 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.576 -13.433 -1.571 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.125 -14.440 -1.629 1.00 0.00 H new ATOM 491 N LEU A 36 -7.762 -8.698 -3.160 1.00 0.00 N ATOM 492 CA LEU A 36 -9.145 -8.366 -2.837 1.00 0.00 C ATOM 493 C LEU A 36 -9.765 -9.432 -1.940 1.00 0.00 C ATOM 494 O LEU A 36 -10.495 -9.119 -1.000 1.00 0.00 O ATOM 495 CB LEU A 36 -9.968 -8.220 -4.118 1.00 0.00 C ATOM 496 CG LEU A 36 -9.342 -7.371 -5.225 1.00 0.00 C ATOM 497 CD1 LEU A 36 -10.219 -7.381 -6.467 1.00 0.00 C ATOM 498 CD2 LEU A 36 -9.116 -5.946 -4.741 1.00 0.00 C ATOM 0 H LEU A 36 -7.646 -9.223 -4.027 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.149 -7.418 -2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.162 -9.216 -4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.934 -7.787 -3.858 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.376 -7.803 -5.485 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.757 -6.771 -7.244 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.329 -8.404 -6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.200 -6.975 -6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.670 -5.356 -5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.070 -5.504 -4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.446 -5.956 -3.881 1.00 0.00 H new ATOM 510 N ASN A 37 -9.468 -10.694 -2.235 1.00 0.00 N ATOM 511 CA ASN A 37 -9.995 -11.806 -1.454 1.00 0.00 C ATOM 512 C ASN A 37 -11.516 -11.868 -1.552 1.00 0.00 C ATOM 513 O ASN A 37 -12.195 -12.257 -0.603 1.00 0.00 O ATOM 514 CB ASN A 37 -9.572 -11.674 0.011 1.00 0.00 C ATOM 515 CG ASN A 37 -8.067 -11.720 0.185 1.00 0.00 C ATOM 516 OD1 ASN A 37 -7.446 -12.773 0.039 1.00 0.00 O ATOM 517 ND2 ASN A 37 -7.472 -10.575 0.499 1.00 0.00 N ATOM 0 H ASN A 37 -8.865 -10.971 -3.010 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.585 -12.730 -1.862 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.953 -10.735 0.413 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.027 -12.477 0.591 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.461 -10.545 0.629 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.026 -9.726 0.610 1.00 0.00 H new ATOM 524 N GLY A 38 -12.045 -11.481 -2.710 1.00 0.00 N ATOM 525 CA GLY A 38 -13.482 -11.501 -2.912 1.00 0.00 C ATOM 526 C GLY A 38 -14.024 -10.154 -3.348 1.00 0.00 C ATOM 527 O GLY A 38 -14.892 -10.079 -4.217 1.00 0.00 O ATOM 0 H GLY A 38 -11.504 -11.154 -3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.730 -12.250 -3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.972 -11.804 -1.987 1.00 0.00 H new ATOM 531 N ALA A 39 -13.512 -9.087 -2.742 1.00 0.00 N ATOM 532 CA ALA A 39 -13.950 -7.737 -3.074 1.00 0.00 C ATOM 533 C ALA A 39 -13.917 -7.503 -4.580 1.00 0.00 C ATOM 534 O ALA A 39 -13.134 -8.127 -5.298 1.00 0.00 O ATOM 535 CB ALA A 39 -13.083 -6.711 -2.359 1.00 0.00 C ATOM 0 H ALA A 39 -12.794 -9.132 -2.019 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.981 -7.623 -2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.421 -5.707 -2.616 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.162 -6.856 -1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.045 -6.834 -2.667 1.00 0.00 H new ATOM 541 N ARG A 40 -14.772 -6.603 -5.053 1.00 0.00 N ATOM 542 CA ARG A 40 -14.842 -6.289 -6.475 1.00 0.00 C ATOM 543 C ARG A 40 -15.051 -4.793 -6.692 1.00 0.00 C ATOM 544 O ARG A 40 -16.123 -4.258 -6.410 1.00 0.00 O ATOM 545 CB ARG A 40 -15.975 -7.074 -7.138 1.00 0.00 C ATOM 546 CG ARG A 40 -15.977 -6.978 -8.655 1.00 0.00 C ATOM 547 CD ARG A 40 -14.806 -7.734 -9.262 1.00 0.00 C ATOM 548 NE ARG A 40 -15.114 -9.146 -9.470 1.00 0.00 N ATOM 549 CZ ARG A 40 -14.901 -10.087 -8.557 1.00 0.00 C ATOM 550 NH1 ARG A 40 -14.381 -9.767 -7.380 1.00 0.00 N ATOM 551 NH2 ARG A 40 -15.208 -11.351 -8.820 1.00 0.00 N ATOM 0 H ARG A 40 -15.426 -6.078 -4.472 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.895 -6.576 -6.931 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -15.897 -8.122 -6.849 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.929 -6.709 -6.758 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.912 -7.380 -9.045 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -15.930 -5.931 -8.955 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.535 -7.278 -10.214 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.939 -7.645 -8.608 1.00 0.00 H new ATOM 0 HE ARG A 40 -15.515 -9.425 -10.366 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.144 -8.797 -7.174 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.218 -10.491 -6.680 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.608 -11.601 -9.724 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.044 -12.072 -8.118 1.00 0.00 H new ATOM 565 N GLY A 41 -14.019 -4.122 -7.195 1.00 0.00 N ATOM 566 CA GLY A 41 -14.110 -2.695 -7.440 1.00 0.00 C ATOM 567 C GLY A 41 -12.833 -2.125 -8.026 1.00 0.00 C ATOM 568 O GLY A 41 -12.163 -2.778 -8.826 1.00 0.00 O ATOM 0 H GLY A 41 -13.121 -4.542 -7.437 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -14.938 -2.498 -8.121 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -14.338 -2.183 -6.505 1.00 0.00 H new ATOM 572 N VAL A 42 -12.496 -0.902 -7.628 1.00 0.00 N ATOM 573 CA VAL A 42 -11.291 -0.244 -8.120 1.00 0.00 C ATOM 574 C VAL A 42 -10.466 0.322 -6.969 1.00 0.00 C ATOM 575 O VAL A 42 -10.882 1.270 -6.302 1.00 0.00 O ATOM 576 CB VAL A 42 -11.634 0.894 -9.100 1.00 0.00 C ATOM 577 CG1 VAL A 42 -10.367 1.587 -9.578 1.00 0.00 C ATOM 578 CG2 VAL A 42 -12.435 0.359 -10.277 1.00 0.00 C ATOM 0 H VAL A 42 -13.040 -0.347 -6.967 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.707 -1.001 -8.644 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.246 1.629 -8.577 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.629 2.388 -10.269 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.836 2.005 -8.723 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.727 0.865 -10.085 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -12.669 1.176 -10.959 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.850 -0.396 -10.802 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.361 -0.087 -9.914 1.00 0.00 H new ATOM 588 N ILE A 43 -9.296 -0.264 -6.743 1.00 0.00 N ATOM 589 CA ILE A 43 -8.411 0.183 -5.675 1.00 0.00 C ATOM 590 C ILE A 43 -7.570 1.375 -6.120 1.00 0.00 C ATOM 591 O ILE A 43 -6.808 1.284 -7.082 1.00 0.00 O ATOM 592 CB ILE A 43 -7.475 -0.947 -5.209 1.00 0.00 C ATOM 593 CG1 ILE A 43 -8.289 -2.117 -4.653 1.00 0.00 C ATOM 594 CG2 ILE A 43 -6.499 -0.429 -4.163 1.00 0.00 C ATOM 595 CD1 ILE A 43 -8.614 -1.982 -3.182 1.00 0.00 C ATOM 0 H ILE A 43 -8.938 -1.050 -7.286 1.00 0.00 H new ATOM 0 HA ILE A 43 -9.048 0.482 -4.842 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.904 -1.302 -6.067 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.219 -2.202 -5.216 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.735 -3.042 -4.811 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.844 -1.240 -3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.900 0.375 -4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.053 -0.050 -3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.192 -2.847 -2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.689 -1.927 -2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.196 -1.075 -3.020 1.00 0.00 H new ATOM 607 N ASP A 44 -7.713 2.490 -5.412 1.00 0.00 N ATOM 608 CA ASP A 44 -6.964 3.700 -5.732 1.00 0.00 C ATOM 609 C ASP A 44 -5.915 3.988 -4.662 1.00 0.00 C ATOM 610 O ASP A 44 -6.245 4.190 -3.494 1.00 0.00 O ATOM 611 CB ASP A 44 -7.913 4.891 -5.868 1.00 0.00 C ATOM 612 CG ASP A 44 -8.518 4.995 -7.254 1.00 0.00 C ATOM 613 OD1 ASP A 44 -7.833 5.510 -8.162 1.00 0.00 O ATOM 614 OD2 ASP A 44 -9.675 4.561 -7.431 1.00 0.00 O ATOM 0 H ASP A 44 -8.340 2.581 -4.613 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.454 3.542 -6.682 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.712 4.801 -5.132 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.373 5.810 -5.641 1.00 0.00 H new ATOM 619 N ALA A 45 -4.650 4.005 -5.070 1.00 0.00 N ATOM 620 CA ALA A 45 -3.553 4.269 -4.148 1.00 0.00 C ATOM 621 C ALA A 45 -3.060 5.706 -4.279 1.00 0.00 C ATOM 622 O ALA A 45 -3.021 6.261 -5.377 1.00 0.00 O ATOM 623 CB ALA A 45 -2.412 3.293 -4.391 1.00 0.00 C ATOM 0 H ALA A 45 -4.360 3.839 -6.034 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.924 4.131 -3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.600 3.502 -3.695 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.767 2.274 -4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.051 3.403 -5.414 1.00 0.00 H new ATOM 629 N ARG A 46 -2.684 6.303 -3.153 1.00 0.00 N ATOM 630 CA ARG A 46 -2.195 7.676 -3.142 1.00 0.00 C ATOM 631 C ARG A 46 -1.281 7.919 -1.945 1.00 0.00 C ATOM 632 O ARG A 46 -1.689 7.754 -0.795 1.00 0.00 O ATOM 633 CB ARG A 46 -3.368 8.658 -3.109 1.00 0.00 C ATOM 634 CG ARG A 46 -4.245 8.602 -4.349 1.00 0.00 C ATOM 635 CD ARG A 46 -4.954 9.925 -4.590 1.00 0.00 C ATOM 636 NE ARG A 46 -5.943 10.212 -3.554 1.00 0.00 N ATOM 637 CZ ARG A 46 -6.698 11.305 -3.541 1.00 0.00 C ATOM 638 NH1 ARG A 46 -6.577 12.210 -4.503 1.00 0.00 N ATOM 639 NH2 ARG A 46 -7.576 11.496 -2.565 1.00 0.00 N ATOM 0 H ARG A 46 -2.709 5.857 -2.236 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.621 7.837 -4.054 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.980 8.450 -2.232 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.980 9.670 -2.994 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.635 8.352 -5.217 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.983 7.807 -4.239 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.219 10.729 -4.623 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.445 9.902 -5.563 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.060 9.536 -2.799 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.903 12.068 -5.255 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.158 13.048 -4.491 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.672 10.803 -1.823 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.155 12.336 -2.557 1.00 0.00 H new ATOM 653 N VAL A 47 -0.041 8.310 -2.223 1.00 0.00 N ATOM 654 CA VAL A 47 0.931 8.575 -1.170 1.00 0.00 C ATOM 655 C VAL A 47 0.955 10.055 -0.804 1.00 0.00 C ATOM 656 O VAL A 47 0.881 10.923 -1.675 1.00 0.00 O ATOM 657 CB VAL A 47 2.347 8.139 -1.590 1.00 0.00 C ATOM 658 CG1 VAL A 47 2.450 6.622 -1.626 1.00 0.00 C ATOM 659 CG2 VAL A 47 2.710 8.738 -2.941 1.00 0.00 C ATOM 0 H VAL A 47 0.314 8.450 -3.169 1.00 0.00 H new ATOM 0 HA VAL A 47 0.622 7.993 -0.301 1.00 0.00 H new ATOM 0 HB VAL A 47 3.057 8.510 -0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.458 6.333 -1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.235 6.219 -0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.731 6.225 -2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.714 8.420 -3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.998 8.398 -3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.679 9.826 -2.877 1.00 0.00 H new ATOM 669 N HIS A 48 1.059 10.338 0.491 1.00 0.00 N ATOM 670 CA HIS A 48 1.094 11.714 0.972 1.00 0.00 C ATOM 671 C HIS A 48 2.475 12.064 1.519 1.00 0.00 C ATOM 672 O HIS A 48 2.882 11.569 2.571 1.00 0.00 O ATOM 673 CB HIS A 48 0.036 11.924 2.056 1.00 0.00 C ATOM 674 CG HIS A 48 -1.364 11.967 1.525 1.00 0.00 C ATOM 675 ND1 HIS A 48 -2.127 13.116 1.507 1.00 0.00 N ATOM 676 CD2 HIS A 48 -2.139 10.994 0.991 1.00 0.00 C ATOM 677 CE1 HIS A 48 -3.311 12.847 0.985 1.00 0.00 C ATOM 678 NE2 HIS A 48 -3.343 11.566 0.663 1.00 0.00 N ATOM 0 H HIS A 48 1.120 9.633 1.225 1.00 0.00 H new ATOM 0 HA HIS A 48 0.878 12.372 0.131 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.114 11.121 2.789 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.246 12.856 2.581 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.862 9.960 0.849 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.115 13.554 0.845 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.134 11.081 0.239 1.00 0.00 H new ATOM 687 N THR A 49 3.192 12.919 0.797 1.00 0.00 N ATOM 688 CA THR A 49 4.528 13.333 1.208 1.00 0.00 C ATOM 689 C THR A 49 4.502 13.987 2.585 1.00 0.00 C ATOM 690 O THR A 49 3.512 14.597 2.990 1.00 0.00 O ATOM 691 CB THR A 49 5.147 14.317 0.197 1.00 0.00 C ATOM 692 OG1 THR A 49 4.300 15.461 0.046 1.00 0.00 O ATOM 693 CG2 THR A 49 5.351 13.648 -1.154 1.00 0.00 C ATOM 0 H THR A 49 2.870 13.338 -0.075 1.00 0.00 H new ATOM 0 HA THR A 49 5.140 12.432 1.248 1.00 0.00 H new ATOM 0 HB THR A 49 6.118 14.633 0.578 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.596 15.263 -0.606 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.789 14.362 -1.851 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.020 12.795 -1.040 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.390 13.307 -1.540 1.00 0.00 H new ATOM 701 N PRO A 50 5.614 13.858 3.324 1.00 0.00 N ATOM 702 CA PRO A 50 5.743 14.430 4.667 1.00 0.00 C ATOM 703 C PRO A 50 5.818 15.953 4.643 1.00 0.00 C ATOM 704 O PRO A 50 5.844 16.600 5.690 1.00 0.00 O ATOM 705 CB PRO A 50 7.058 13.838 5.180 1.00 0.00 C ATOM 706 CG PRO A 50 7.840 13.529 3.950 1.00 0.00 C ATOM 707 CD PRO A 50 6.831 13.143 2.904 1.00 0.00 C ATOM 0 HA PRO A 50 4.882 14.197 5.294 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.588 14.545 5.819 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.883 12.941 5.774 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.422 14.393 3.630 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.546 12.718 4.130 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.151 13.445 1.907 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.674 12.065 2.876 1.00 0.00 H new ATOM 715 N SER A 51 5.852 16.521 3.441 1.00 0.00 N ATOM 716 CA SER A 51 5.927 17.968 3.281 1.00 0.00 C ATOM 717 C SER A 51 4.533 18.574 3.154 1.00 0.00 C ATOM 718 O SER A 51 4.184 19.511 3.870 1.00 0.00 O ATOM 719 CB SER A 51 6.765 18.323 2.051 1.00 0.00 C ATOM 720 OG SER A 51 7.059 19.709 2.017 1.00 0.00 O ATOM 0 H SER A 51 5.829 16.001 2.564 1.00 0.00 H new ATOM 0 HA SER A 51 6.404 18.383 4.169 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.693 17.751 2.062 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.227 18.040 1.146 1.00 0.00 H new ATOM 0 HG SER A 51 7.597 19.910 1.223 1.00 0.00 H new ATOM 726 N GLY A 52 3.740 18.030 2.236 1.00 0.00 N ATOM 727 CA GLY A 52 2.392 18.528 2.030 1.00 0.00 C ATOM 728 C GLY A 52 1.983 18.508 0.571 1.00 0.00 C ATOM 729 O GLY A 52 1.310 19.422 0.095 1.00 0.00 O ATOM 0 H GLY A 52 4.007 17.253 1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.693 17.924 2.608 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.323 19.547 2.410 1.00 0.00 H new ATOM 733 N ALA A 53 2.391 17.463 -0.142 1.00 0.00 N ATOM 734 CA ALA A 53 2.062 17.327 -1.555 1.00 0.00 C ATOM 735 C ALA A 53 1.433 15.969 -1.844 1.00 0.00 C ATOM 736 O ALA A 53 1.985 14.929 -1.484 1.00 0.00 O ATOM 737 CB ALA A 53 3.306 17.528 -2.408 1.00 0.00 C ATOM 0 H ALA A 53 2.950 16.698 0.236 1.00 0.00 H new ATOM 0 HA ALA A 53 1.333 18.096 -1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.046 17.424 -3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.711 18.524 -2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.053 16.780 -2.143 1.00 0.00 H new ATOM 743 N VAL A 54 0.275 15.984 -2.496 1.00 0.00 N ATOM 744 CA VAL A 54 -0.429 14.753 -2.834 1.00 0.00 C ATOM 745 C VAL A 54 0.141 14.124 -4.101 1.00 0.00 C ATOM 746 O VAL A 54 -0.062 14.633 -5.203 1.00 0.00 O ATOM 747 CB VAL A 54 -1.936 15.004 -3.032 1.00 0.00 C ATOM 748 CG1 VAL A 54 -2.647 13.715 -3.412 1.00 0.00 C ATOM 749 CG2 VAL A 54 -2.544 15.608 -1.775 1.00 0.00 C ATOM 0 H VAL A 54 -0.196 16.836 -2.801 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.289 14.069 -1.997 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.064 15.715 -3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.710 13.912 -3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.228 13.329 -4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.513 12.978 -2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.609 15.779 -1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.406 14.923 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.053 16.556 -1.553 1.00 0.00 H new ATOM 759 N GLU A 55 0.854 13.015 -3.935 1.00 0.00 N ATOM 760 CA GLU A 55 1.453 12.316 -5.066 1.00 0.00 C ATOM 761 C GLU A 55 0.460 11.341 -5.692 1.00 0.00 C ATOM 762 O GLU A 55 -0.608 11.086 -5.136 1.00 0.00 O ATOM 763 CB GLU A 55 2.711 11.566 -4.623 1.00 0.00 C ATOM 764 CG GLU A 55 3.979 12.398 -4.712 1.00 0.00 C ATOM 765 CD GLU A 55 4.463 12.572 -6.139 1.00 0.00 C ATOM 766 OE1 GLU A 55 3.935 13.458 -6.842 1.00 0.00 O ATOM 767 OE2 GLU A 55 5.372 11.820 -6.552 1.00 0.00 O ATOM 0 H GLU A 55 1.031 12.581 -3.029 1.00 0.00 H new ATOM 0 HA GLU A 55 1.727 13.059 -5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.579 11.229 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.828 10.674 -5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.798 13.378 -4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.763 11.923 -4.122 1.00 0.00 H new ATOM 774 N GLU A 56 0.821 10.800 -6.851 1.00 0.00 N ATOM 775 CA GLU A 56 -0.039 9.854 -7.553 1.00 0.00 C ATOM 776 C GLU A 56 0.642 8.496 -7.687 1.00 0.00 C ATOM 777 O GLU A 56 1.812 8.411 -8.062 1.00 0.00 O ATOM 778 CB GLU A 56 -0.404 10.393 -8.937 1.00 0.00 C ATOM 779 CG GLU A 56 0.785 10.519 -9.875 1.00 0.00 C ATOM 780 CD GLU A 56 0.465 11.326 -11.118 1.00 0.00 C ATOM 781 OE1 GLU A 56 -0.314 10.834 -11.961 1.00 0.00 O ATOM 782 OE2 GLU A 56 0.993 12.450 -11.248 1.00 0.00 O ATOM 0 H GLU A 56 1.702 11.000 -7.324 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.950 9.728 -6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.145 9.735 -9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.873 11.371 -8.825 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.613 10.989 -9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.118 9.524 -10.169 1.00 0.00 H new ATOM 789 N CYS A 57 -0.097 7.436 -7.378 1.00 0.00 N ATOM 790 CA CYS A 57 0.435 6.081 -7.463 1.00 0.00 C ATOM 791 C CYS A 57 0.360 5.556 -8.892 1.00 0.00 C ATOM 792 O CYS A 57 -0.383 6.083 -9.720 1.00 0.00 O ATOM 793 CB CYS A 57 -0.332 5.150 -6.523 1.00 0.00 C ATOM 794 SG CYS A 57 -1.822 4.430 -7.252 1.00 0.00 S ATOM 0 H CYS A 57 -1.067 7.489 -7.066 1.00 0.00 H new ATOM 0 HA CYS A 57 1.482 6.108 -7.161 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.330 4.344 -6.206 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.610 5.705 -5.627 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.873 5.020 -6.764 1.00 0.00 H new ATOM 800 N TYR A 58 1.135 4.515 -9.176 1.00 0.00 N ATOM 801 CA TYR A 58 1.159 3.920 -10.507 1.00 0.00 C ATOM 802 C TYR A 58 0.564 2.516 -10.487 1.00 0.00 C ATOM 803 O TYR A 58 1.238 1.547 -10.137 1.00 0.00 O ATOM 804 CB TYR A 58 2.592 3.871 -11.040 1.00 0.00 C ATOM 805 CG TYR A 58 2.676 3.622 -12.529 1.00 0.00 C ATOM 806 CD1 TYR A 58 2.404 2.367 -13.060 1.00 0.00 C ATOM 807 CD2 TYR A 58 3.027 4.642 -13.405 1.00 0.00 C ATOM 808 CE1 TYR A 58 2.480 2.135 -14.420 1.00 0.00 C ATOM 809 CE2 TYR A 58 3.104 4.419 -14.767 1.00 0.00 C ATOM 810 CZ TYR A 58 2.830 3.164 -15.269 1.00 0.00 C ATOM 811 OH TYR A 58 2.906 2.938 -16.624 1.00 0.00 O ATOM 0 H TYR A 58 1.755 4.066 -8.502 1.00 0.00 H new ATOM 0 HA TYR A 58 0.554 4.542 -11.166 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.089 4.813 -10.809 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.138 3.086 -10.517 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.128 1.559 -12.398 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.243 5.626 -13.015 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.266 1.153 -14.816 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.377 5.223 -15.434 1.00 0.00 H new ATOM 0 HH TYR A 58 3.164 3.766 -17.080 1.00 0.00 H new ATOM 821 N VAL A 59 -0.706 2.413 -10.867 1.00 0.00 N ATOM 822 CA VAL A 59 -1.394 1.128 -10.896 1.00 0.00 C ATOM 823 C VAL A 59 -2.183 0.956 -12.189 1.00 0.00 C ATOM 824 O VAL A 59 -3.044 1.772 -12.516 1.00 0.00 O ATOM 825 CB VAL A 59 -2.352 0.978 -9.699 1.00 0.00 C ATOM 826 CG1 VAL A 59 -3.189 2.236 -9.523 1.00 0.00 C ATOM 827 CG2 VAL A 59 -3.241 -0.243 -9.879 1.00 0.00 C ATOM 0 H VAL A 59 -1.279 3.205 -11.159 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.627 0.356 -10.837 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.758 0.837 -8.796 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.859 2.111 -8.673 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.533 3.088 -9.345 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.776 2.412 -10.425 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.912 -0.334 -9.024 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.828 -0.134 -10.791 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.621 -1.137 -9.951 1.00 0.00 H new ATOM 917 N LYS A 66 -6.467 -7.874 -9.615 1.00 0.00 N ATOM 918 CA LYS A 66 -5.538 -7.346 -8.622 1.00 0.00 C ATOM 919 C LYS A 66 -5.128 -5.918 -8.966 1.00 0.00 C ATOM 920 O LYS A 66 -5.619 -5.337 -9.935 1.00 0.00 O ATOM 921 CB LYS A 66 -4.297 -8.236 -8.531 1.00 0.00 C ATOM 922 CG LYS A 66 -4.592 -9.643 -8.041 1.00 0.00 C ATOM 923 CD LYS A 66 -3.327 -10.352 -7.585 1.00 0.00 C ATOM 924 CE LYS A 66 -3.641 -11.488 -6.624 1.00 0.00 C ATOM 925 NZ LYS A 66 -2.534 -12.483 -6.561 1.00 0.00 N ATOM 0 HA LYS A 66 -6.043 -7.338 -7.656 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.828 -8.293 -9.514 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.575 -7.771 -7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.304 -9.600 -7.216 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.063 -10.216 -8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.795 -10.744 -8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.662 -9.637 -7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.822 -11.082 -5.629 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.559 -11.985 -6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.786 -13.241 -5.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.378 -12.889 -7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.664 -12.014 -6.238 1.00 0.00 H new ATOM 939 N HIS A 67 -4.226 -5.357 -8.167 1.00 0.00 N ATOM 940 CA HIS A 67 -3.748 -3.997 -8.389 1.00 0.00 C ATOM 941 C HIS A 67 -2.304 -3.845 -7.922 1.00 0.00 C ATOM 942 O HIS A 67 -1.991 -4.071 -6.753 1.00 0.00 O ATOM 943 CB HIS A 67 -4.641 -2.995 -7.656 1.00 0.00 C ATOM 944 CG HIS A 67 -6.012 -2.870 -8.247 1.00 0.00 C ATOM 945 ND1 HIS A 67 -6.239 -2.439 -9.537 1.00 0.00 N ATOM 946 CD2 HIS A 67 -7.231 -3.124 -7.717 1.00 0.00 C ATOM 947 CE1 HIS A 67 -7.538 -2.432 -9.775 1.00 0.00 C ATOM 948 NE2 HIS A 67 -8.163 -2.844 -8.686 1.00 0.00 N ATOM 0 H HIS A 67 -3.811 -5.823 -7.360 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.788 -3.794 -9.459 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.730 -3.296 -6.612 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.160 -2.017 -7.665 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.433 -3.481 -6.718 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.009 -2.139 -10.702 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.173 -2.939 -8.582 1.00 0.00 H new ATOM 957 N THR A 68 -1.426 -3.462 -8.844 1.00 0.00 N ATOM 958 CA THR A 68 -0.015 -3.282 -8.528 1.00 0.00 C ATOM 959 C THR A 68 0.338 -1.804 -8.409 1.00 0.00 C ATOM 960 O THR A 68 0.226 -1.050 -9.377 1.00 0.00 O ATOM 961 CB THR A 68 0.887 -3.930 -9.595 1.00 0.00 C ATOM 962 OG1 THR A 68 0.507 -5.296 -9.795 1.00 0.00 O ATOM 963 CG2 THR A 68 2.350 -3.861 -9.182 1.00 0.00 C ATOM 0 H THR A 68 -1.668 -3.270 -9.816 1.00 0.00 H new ATOM 0 HA THR A 68 0.159 -3.772 -7.570 1.00 0.00 H new ATOM 0 HB THR A 68 0.762 -3.379 -10.527 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.084 -5.700 -10.476 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.967 -4.325 -9.951 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.645 -2.819 -9.060 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.487 -4.390 -8.239 1.00 0.00 H new ATOM 971 N ILE A 69 0.765 -1.396 -7.219 1.00 0.00 N ATOM 972 CA ILE A 69 1.136 -0.007 -6.976 1.00 0.00 C ATOM 973 C ILE A 69 2.649 0.174 -7.025 1.00 0.00 C ATOM 974 O ILE A 69 3.404 -0.711 -6.620 1.00 0.00 O ATOM 975 CB ILE A 69 0.615 0.484 -5.612 1.00 0.00 C ATOM 976 CG1 ILE A 69 -0.702 -0.212 -5.264 1.00 0.00 C ATOM 977 CG2 ILE A 69 0.433 1.995 -5.628 1.00 0.00 C ATOM 978 CD1 ILE A 69 -1.757 -0.084 -6.341 1.00 0.00 C ATOM 0 H ILE A 69 0.863 -2.007 -6.408 1.00 0.00 H new ATOM 0 HA ILE A 69 0.676 0.586 -7.766 1.00 0.00 H new ATOM 0 HB ILE A 69 1.350 0.233 -4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.508 -1.269 -5.081 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.090 0.206 -4.335 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.064 2.327 -4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.389 2.474 -5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.285 2.267 -6.401 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.663 -0.601 -6.026 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.980 0.970 -6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.389 -0.528 -7.266 1.00 0.00 H new ATOM 990 N ARG A 70 3.086 1.327 -7.520 1.00 0.00 N ATOM 991 CA ARG A 70 4.510 1.625 -7.621 1.00 0.00 C ATOM 992 C ARG A 70 4.775 3.106 -7.364 1.00 0.00 C ATOM 993 O ARG A 70 4.177 3.974 -8.001 1.00 0.00 O ATOM 994 CB ARG A 70 5.038 1.234 -9.003 1.00 0.00 C ATOM 995 CG ARG A 70 6.511 0.861 -9.008 1.00 0.00 C ATOM 996 CD ARG A 70 7.086 0.885 -10.416 1.00 0.00 C ATOM 997 NE ARG A 70 8.200 -0.047 -10.567 1.00 0.00 N ATOM 998 CZ ARG A 70 8.951 -0.123 -11.660 1.00 0.00 C ATOM 999 NH1 ARG A 70 8.709 0.674 -12.692 1.00 0.00 N ATOM 1000 NH2 ARG A 70 9.948 -0.998 -11.723 1.00 0.00 N ATOM 0 H ARG A 70 2.475 2.070 -7.858 1.00 0.00 H new ATOM 0 HA ARG A 70 5.032 1.043 -6.862 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.457 0.392 -9.380 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.880 2.064 -9.692 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.065 1.554 -8.375 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.637 -0.133 -8.579 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.303 0.634 -11.132 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.423 1.894 -10.653 1.00 0.00 H new ATOM 0 HE ARG A 70 8.413 -0.674 -9.791 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.944 1.348 -12.648 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.287 0.613 -13.530 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.138 -1.613 -10.931 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.524 -1.055 -12.563 1.00 0.00 H new ATOM 1014 N PHE A 71 5.674 3.386 -6.426 1.00 0.00 N ATOM 1015 CA PHE A 71 6.017 4.761 -6.084 1.00 0.00 C ATOM 1016 C PHE A 71 7.369 4.825 -5.379 1.00 0.00 C ATOM 1017 O PHE A 71 7.852 3.824 -4.848 1.00 0.00 O ATOM 1018 CB PHE A 71 4.934 5.372 -5.191 1.00 0.00 C ATOM 1019 CG PHE A 71 4.538 4.492 -4.041 1.00 0.00 C ATOM 1020 CD1 PHE A 71 5.463 4.140 -3.070 1.00 0.00 C ATOM 1021 CD2 PHE A 71 3.242 4.015 -3.930 1.00 0.00 C ATOM 1022 CE1 PHE A 71 5.101 3.330 -2.010 1.00 0.00 C ATOM 1023 CE2 PHE A 71 2.875 3.205 -2.872 1.00 0.00 C ATOM 1024 CZ PHE A 71 3.806 2.862 -1.911 1.00 0.00 C ATOM 0 H PHE A 71 6.178 2.679 -5.890 1.00 0.00 H new ATOM 0 HA PHE A 71 6.082 5.334 -7.009 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.291 6.326 -4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.053 5.584 -5.796 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.478 4.503 -3.143 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.510 4.279 -4.679 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.831 3.063 -1.260 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.861 2.841 -2.797 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.521 2.229 -1.084 1.00 0.00 H new ATOM 1034 N ILE A 72 7.974 6.008 -5.378 1.00 0.00 N ATOM 1035 CA ILE A 72 9.269 6.203 -4.739 1.00 0.00 C ATOM 1036 C ILE A 72 9.227 7.369 -3.757 1.00 0.00 C ATOM 1037 O ILE A 72 8.826 8.483 -4.095 1.00 0.00 O ATOM 1038 CB ILE A 72 10.377 6.459 -5.777 1.00 0.00 C ATOM 1039 CG1 ILE A 72 10.609 5.208 -6.627 1.00 0.00 C ATOM 1040 CG2 ILE A 72 11.663 6.883 -5.085 1.00 0.00 C ATOM 1041 CD1 ILE A 72 11.308 5.490 -7.938 1.00 0.00 C ATOM 0 H ILE A 72 7.588 6.846 -5.813 1.00 0.00 H new ATOM 0 HA ILE A 72 9.496 5.284 -4.199 1.00 0.00 H new ATOM 0 HB ILE A 72 10.059 7.268 -6.435 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.202 4.494 -6.055 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.649 4.734 -6.831 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.437 7.060 -5.832 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.487 7.799 -4.520 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.988 6.095 -4.406 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.439 4.558 -8.488 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.706 6.179 -8.530 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.283 5.936 -7.742 1.00 0.00 H new ATOM 1053 N PRO A 73 9.655 7.110 -2.512 1.00 0.00 N ATOM 1054 CA PRO A 73 9.679 8.127 -1.456 1.00 0.00 C ATOM 1055 C PRO A 73 10.739 9.194 -1.703 1.00 0.00 C ATOM 1056 O PRO A 73 11.839 9.131 -1.153 1.00 0.00 O ATOM 1057 CB PRO A 73 10.013 7.323 -0.197 1.00 0.00 C ATOM 1058 CG PRO A 73 10.743 6.124 -0.696 1.00 0.00 C ATOM 1059 CD PRO A 73 10.148 5.806 -2.040 1.00 0.00 C ATOM 0 HA PRO A 73 8.737 8.672 -1.393 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.628 7.903 0.491 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.110 7.040 0.343 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.811 6.324 -0.780 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.629 5.284 -0.010 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.891 5.387 -2.719 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.342 5.077 -1.960 1.00 0.00 H new ATOM 1067 N HIS A 74 10.402 10.176 -2.534 1.00 0.00 N ATOM 1068 CA HIS A 74 11.325 11.259 -2.853 1.00 0.00 C ATOM 1069 C HIS A 74 12.093 11.702 -1.611 1.00 0.00 C ATOM 1070 O HIS A 74 13.319 11.802 -1.631 1.00 0.00 O ATOM 1071 CB HIS A 74 10.567 12.445 -3.449 1.00 0.00 C ATOM 1072 CG HIS A 74 10.152 12.237 -4.873 1.00 0.00 C ATOM 1073 ND1 HIS A 74 9.623 11.051 -5.336 1.00 0.00 N ATOM 1074 CD2 HIS A 74 10.188 13.072 -5.937 1.00 0.00 C ATOM 1075 CE1 HIS A 74 9.354 11.165 -6.625 1.00 0.00 C ATOM 1076 NE2 HIS A 74 9.687 12.383 -7.013 1.00 0.00 N ATOM 0 H HIS A 74 9.496 10.244 -2.998 1.00 0.00 H new ATOM 0 HA HIS A 74 12.040 10.889 -3.588 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.680 12.639 -2.846 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.195 13.334 -3.388 1.00 0.00 H new ATOM 0 HD1 HIS A 74 9.464 10.216 -4.772 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.545 14.091 -5.939 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.934 10.394 -7.254 1.00 0.00 H new ATOM 1085 N GLU A 75 11.362 11.966 -0.532 1.00 0.00 N ATOM 1086 CA GLU A 75 11.975 12.400 0.717 1.00 0.00 C ATOM 1087 C GLU A 75 11.829 11.330 1.795 1.00 0.00 C ATOM 1088 O GLU A 75 11.065 10.378 1.640 1.00 0.00 O ATOM 1089 CB GLU A 75 11.341 13.709 1.194 1.00 0.00 C ATOM 1090 CG GLU A 75 9.846 13.606 1.443 1.00 0.00 C ATOM 1091 CD GLU A 75 9.150 14.952 1.382 1.00 0.00 C ATOM 1092 OE1 GLU A 75 9.500 15.837 2.191 1.00 0.00 O ATOM 1093 OE2 GLU A 75 8.256 15.121 0.526 1.00 0.00 O ATOM 0 H GLU A 75 10.346 11.887 -0.498 1.00 0.00 H new ATOM 0 HA GLU A 75 13.037 12.564 0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.833 14.027 2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.524 14.484 0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.403 12.939 0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.675 13.157 2.421 1.00 0.00 H new ATOM 1100 N ASN A 76 12.569 11.493 2.887 1.00 0.00 N ATOM 1101 CA ASN A 76 12.524 10.541 3.991 1.00 0.00 C ATOM 1102 C ASN A 76 11.302 10.785 4.871 1.00 0.00 C ATOM 1103 O ASN A 76 10.672 11.839 4.797 1.00 0.00 O ATOM 1104 CB ASN A 76 13.800 10.641 4.830 1.00 0.00 C ATOM 1105 CG ASN A 76 15.055 10.453 4.000 1.00 0.00 C ATOM 1106 OD1 ASN A 76 15.084 9.390 3.205 1.00 0.00 O flip ATOM 1107 ND2 ASN A 76 15.986 11.255 4.072 1.00 0.00 N flip ATOM 0 H ASN A 76 13.207 12.276 3.031 1.00 0.00 H new ATOM 0 HA ASN A 76 12.451 9.538 3.570 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.834 11.614 5.320 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.773 9.889 5.618 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.920 12.058 4.697 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.823 11.116 3.506 1.00 0.00 H new ATOM 1114 N GLY A 77 10.974 9.803 5.704 1.00 0.00 N ATOM 1115 CA GLY A 77 9.829 9.930 6.587 1.00 0.00 C ATOM 1116 C GLY A 77 8.754 8.902 6.295 1.00 0.00 C ATOM 1117 O GLY A 77 8.714 8.327 5.207 1.00 0.00 O ATOM 0 H GLY A 77 11.481 8.921 5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.158 9.823 7.621 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.407 10.930 6.488 1.00 0.00 H new ATOM 1121 N VAL A 78 7.881 8.668 7.270 1.00 0.00 N ATOM 1122 CA VAL A 78 6.801 7.701 7.113 1.00 0.00 C ATOM 1123 C VAL A 78 5.671 8.272 6.264 1.00 0.00 C ATOM 1124 O VAL A 78 4.911 9.128 6.718 1.00 0.00 O ATOM 1125 CB VAL A 78 6.234 7.266 8.477 1.00 0.00 C ATOM 1126 CG1 VAL A 78 5.095 6.276 8.291 1.00 0.00 C ATOM 1127 CG2 VAL A 78 7.333 6.670 9.345 1.00 0.00 C ATOM 0 H VAL A 78 7.901 9.135 8.177 1.00 0.00 H new ATOM 0 HA VAL A 78 7.225 6.832 6.611 1.00 0.00 H new ATOM 0 HB VAL A 78 5.839 8.146 8.984 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.707 5.980 9.266 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.299 6.742 7.710 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.461 5.395 7.764 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.915 6.368 10.305 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.760 5.800 8.845 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.113 7.414 9.507 1.00 0.00 H new ATOM 1137 N HIS A 79 5.566 7.793 5.029 1.00 0.00 N ATOM 1138 CA HIS A 79 4.527 8.256 4.115 1.00 0.00 C ATOM 1139 C HIS A 79 3.184 7.613 4.450 1.00 0.00 C ATOM 1140 O HIS A 79 3.130 6.558 5.082 1.00 0.00 O ATOM 1141 CB HIS A 79 4.911 7.940 2.670 1.00 0.00 C ATOM 1142 CG HIS A 79 6.190 8.586 2.235 1.00 0.00 C ATOM 1143 ND1 HIS A 79 7.231 8.852 3.100 1.00 0.00 N ATOM 1144 CD2 HIS A 79 6.594 9.019 1.018 1.00 0.00 C ATOM 1145 CE1 HIS A 79 8.219 9.422 2.433 1.00 0.00 C ATOM 1146 NE2 HIS A 79 7.858 9.534 1.168 1.00 0.00 N ATOM 0 H HIS A 79 6.187 7.085 4.638 1.00 0.00 H new ATOM 0 HA HIS A 79 4.432 9.336 4.229 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.002 6.860 2.555 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.107 8.265 2.010 1.00 0.00 H new ATOM 0 HD1 HIS A 79 7.237 8.642 4.098 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.028 8.969 0.100 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.162 9.742 2.852 1.00 0.00 H new ATOM 1155 N SER A 80 2.102 8.256 4.021 1.00 0.00 N ATOM 1156 CA SER A 80 0.760 7.749 4.279 1.00 0.00 C ATOM 1157 C SER A 80 0.122 7.223 2.997 1.00 0.00 C ATOM 1158 O SER A 80 -0.226 7.995 2.102 1.00 0.00 O ATOM 1159 CB SER A 80 -0.116 8.849 4.884 1.00 0.00 C ATOM 1160 OG SER A 80 -0.023 8.855 6.298 1.00 0.00 O ATOM 0 H SER A 80 2.129 9.129 3.494 1.00 0.00 H new ATOM 0 HA SER A 80 0.840 6.926 4.989 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.190 9.819 4.492 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.153 8.698 4.585 1.00 0.00 H new ATOM 0 HG SER A 80 -0.590 9.567 6.660 1.00 0.00 H new ATOM 1166 N ILE A 81 -0.027 5.906 2.915 1.00 0.00 N ATOM 1167 CA ILE A 81 -0.624 5.276 1.744 1.00 0.00 C ATOM 1168 C ILE A 81 -2.143 5.226 1.860 1.00 0.00 C ATOM 1169 O ILE A 81 -2.692 4.434 2.626 1.00 0.00 O ATOM 1170 CB ILE A 81 -0.089 3.846 1.540 1.00 0.00 C ATOM 1171 CG1 ILE A 81 1.405 3.786 1.865 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -0.345 3.383 0.113 1.00 0.00 C ATOM 1173 CD1 ILE A 81 2.259 4.623 0.938 1.00 0.00 C ATOM 0 H ILE A 81 0.258 5.254 3.646 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.348 5.885 0.883 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.617 3.176 2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.559 4.122 2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.738 2.749 1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.039 2.371 -0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.417 3.393 -0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.159 4.053 -0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.306 4.533 1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.134 4.273 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.953 5.667 1.005 1.00 0.00 H new ATOM 1185 N ASP A 82 -2.818 6.077 1.094 1.00 0.00 N ATOM 1186 CA ASP A 82 -4.275 6.128 1.108 1.00 0.00 C ATOM 1187 C ASP A 82 -4.864 5.110 0.138 1.00 0.00 C ATOM 1188 O ASP A 82 -4.850 5.313 -1.076 1.00 0.00 O ATOM 1189 CB ASP A 82 -4.760 7.534 0.749 1.00 0.00 C ATOM 1190 CG ASP A 82 -4.907 8.424 1.967 1.00 0.00 C ATOM 1191 OD1 ASP A 82 -3.879 8.725 2.609 1.00 0.00 O ATOM 1192 OD2 ASP A 82 -6.050 8.820 2.279 1.00 0.00 O ATOM 0 H ASP A 82 -2.379 6.741 0.456 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.613 5.881 2.114 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.058 7.990 0.052 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.719 7.464 0.236 1.00 0.00 H new ATOM 1197 N VAL A 83 -5.381 4.012 0.681 1.00 0.00 N ATOM 1198 CA VAL A 83 -5.976 2.961 -0.136 1.00 0.00 C ATOM 1199 C VAL A 83 -7.497 2.981 -0.036 1.00 0.00 C ATOM 1200 O VAL A 83 -8.064 2.705 1.021 1.00 0.00 O ATOM 1201 CB VAL A 83 -5.463 1.570 0.279 1.00 0.00 C ATOM 1202 CG1 VAL A 83 -6.153 0.483 -0.531 1.00 0.00 C ATOM 1203 CG2 VAL A 83 -3.953 1.488 0.117 1.00 0.00 C ATOM 0 H VAL A 83 -5.400 3.827 1.684 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.681 3.156 -1.167 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.702 1.414 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.778 -0.493 -0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.228 0.529 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.948 0.634 -1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.608 0.498 0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.689 1.666 -0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.478 2.242 0.745 1.00 0.00 H new ATOM 1213 N LYS A 84 -8.153 3.310 -1.144 1.00 0.00 N ATOM 1214 CA LYS A 84 -9.609 3.364 -1.184 1.00 0.00 C ATOM 1215 C LYS A 84 -10.170 2.274 -2.090 1.00 0.00 C ATOM 1216 O LYS A 84 -9.567 1.924 -3.105 1.00 0.00 O ATOM 1217 CB LYS A 84 -10.075 4.738 -1.672 1.00 0.00 C ATOM 1218 CG LYS A 84 -10.029 5.813 -0.599 1.00 0.00 C ATOM 1219 CD LYS A 84 -10.819 7.044 -1.009 1.00 0.00 C ATOM 1220 CE LYS A 84 -12.274 6.941 -0.577 1.00 0.00 C ATOM 1221 NZ LYS A 84 -12.871 8.281 -0.319 1.00 0.00 N ATOM 0 H LYS A 84 -7.698 3.543 -2.027 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.982 3.198 -0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.451 5.047 -2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.095 4.654 -2.047 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.431 5.415 0.333 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -8.993 6.092 -0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.368 7.932 -0.565 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.767 7.167 -2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.848 6.431 -1.351 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.343 6.333 0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.863 8.169 -0.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.339 8.758 0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.828 8.853 -1.187 1.00 0.00 H new ATOM 1235 N PHE A 85 -11.330 1.740 -1.719 1.00 0.00 N ATOM 1236 CA PHE A 85 -11.972 0.689 -2.499 1.00 0.00 C ATOM 1237 C PHE A 85 -13.363 1.123 -2.954 1.00 0.00 C ATOM 1238 O PHE A 85 -14.304 1.158 -2.163 1.00 0.00 O ATOM 1239 CB PHE A 85 -12.071 -0.598 -1.678 1.00 0.00 C ATOM 1240 CG PHE A 85 -12.992 -1.622 -2.276 1.00 0.00 C ATOM 1241 CD1 PHE A 85 -12.522 -2.537 -3.204 1.00 0.00 C ATOM 1242 CD2 PHE A 85 -14.328 -1.670 -1.911 1.00 0.00 C ATOM 1243 CE1 PHE A 85 -13.366 -3.482 -3.757 1.00 0.00 C ATOM 1244 CE2 PHE A 85 -15.177 -2.612 -2.460 1.00 0.00 C ATOM 1245 CZ PHE A 85 -14.696 -3.518 -3.385 1.00 0.00 C ATOM 0 H PHE A 85 -11.844 2.018 -0.883 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.361 0.502 -3.382 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.076 -1.032 -1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.416 -0.353 -0.674 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -11.483 -2.512 -3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -14.710 -0.963 -1.189 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -12.986 -4.191 -4.478 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -16.216 -2.640 -2.166 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.359 -4.253 -3.817 1.00 0.00 H new ATOM 1255 N ASN A 86 -13.483 1.453 -4.236 1.00 0.00 N ATOM 1256 CA ASN A 86 -14.757 1.886 -4.798 1.00 0.00 C ATOM 1257 C ASN A 86 -15.483 2.826 -3.840 1.00 0.00 C ATOM 1258 O ASN A 86 -16.686 2.698 -3.620 1.00 0.00 O ATOM 1259 CB ASN A 86 -15.640 0.675 -5.107 1.00 0.00 C ATOM 1260 CG ASN A 86 -16.590 0.931 -6.261 1.00 0.00 C ATOM 1261 OD1 ASN A 86 -17.271 1.956 -6.303 1.00 0.00 O ATOM 1262 ND2 ASN A 86 -16.639 -0.001 -7.205 1.00 0.00 N ATOM 0 H ASN A 86 -12.713 1.429 -4.905 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.553 2.425 -5.723 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -15.008 -0.181 -5.343 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -16.214 0.412 -4.219 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.259 0.117 -8.006 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -16.057 -0.835 -7.129 1.00 0.00 H new ATOM 1269 N GLY A 87 -14.741 3.773 -3.273 1.00 0.00 N ATOM 1270 CA GLY A 87 -15.330 4.721 -2.346 1.00 0.00 C ATOM 1271 C GLY A 87 -15.507 4.140 -0.957 1.00 0.00 C ATOM 1272 O GLY A 87 -16.527 4.369 -0.307 1.00 0.00 O ATOM 0 H GLY A 87 -13.743 3.900 -3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -14.699 5.608 -2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -16.299 5.044 -2.728 1.00 0.00 H new ATOM 1276 N ALA A 88 -14.513 3.385 -0.502 1.00 0.00 N ATOM 1277 CA ALA A 88 -14.565 2.769 0.819 1.00 0.00 C ATOM 1278 C ALA A 88 -13.163 2.543 1.374 1.00 0.00 C ATOM 1279 O ALA A 88 -12.397 1.736 0.845 1.00 0.00 O ATOM 1280 CB ALA A 88 -15.330 1.455 0.759 1.00 0.00 C ATOM 0 H ALA A 88 -13.662 3.185 -1.028 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.088 3.450 1.491 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.361 1.006 1.752 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.347 1.641 0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.831 0.775 0.069 1.00 0.00 H new ATOM 1286 N HIS A 89 -12.831 3.260 2.443 1.00 0.00 N ATOM 1287 CA HIS A 89 -11.520 3.137 3.069 1.00 0.00 C ATOM 1288 C HIS A 89 -11.326 1.741 3.654 1.00 0.00 C ATOM 1289 O HIS A 89 -12.226 1.196 4.294 1.00 0.00 O ATOM 1290 CB HIS A 89 -11.354 4.189 4.166 1.00 0.00 C ATOM 1291 CG HIS A 89 -10.757 5.474 3.678 1.00 0.00 C ATOM 1292 ND1 HIS A 89 -9.422 5.785 3.824 1.00 0.00 N ATOM 1293 CD2 HIS A 89 -11.321 6.527 3.043 1.00 0.00 C ATOM 1294 CE1 HIS A 89 -9.190 6.976 3.300 1.00 0.00 C ATOM 1295 NE2 HIS A 89 -10.326 7.447 2.819 1.00 0.00 N ATOM 0 H HIS A 89 -13.452 3.932 2.894 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.762 3.300 2.302 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.328 4.396 4.610 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.723 3.782 4.956 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.360 6.626 2.764 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.234 7.478 3.270 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -10.445 8.348 2.356 1.00 0.00 H new ATOM 1304 N ILE A 90 -10.148 1.169 3.429 1.00 0.00 N ATOM 1305 CA ILE A 90 -9.838 -0.163 3.934 1.00 0.00 C ATOM 1306 C ILE A 90 -9.377 -0.106 5.387 1.00 0.00 C ATOM 1307 O ILE A 90 -8.808 0.885 5.845 1.00 0.00 O ATOM 1308 CB ILE A 90 -8.747 -0.845 3.088 1.00 0.00 C ATOM 1309 CG1 ILE A 90 -7.408 -0.127 3.267 1.00 0.00 C ATOM 1310 CG2 ILE A 90 -9.151 -0.867 1.621 1.00 0.00 C ATOM 1311 CD1 ILE A 90 -6.208 -1.012 3.008 1.00 0.00 C ATOM 0 H ILE A 90 -9.393 1.607 2.901 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.756 -0.747 3.869 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.634 -1.874 3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.371 0.728 2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.348 0.265 4.282 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.370 -1.352 1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.084 -1.419 1.509 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.289 0.154 1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.294 -0.437 3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.221 -1.854 3.700 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.244 -1.383 1.984 1.00 0.00 H new ATOM 1323 N PRO A 91 -9.627 -1.195 6.130 1.00 0.00 N ATOM 1324 CA PRO A 91 -9.244 -1.295 7.541 1.00 0.00 C ATOM 1325 C PRO A 91 -7.734 -1.395 7.727 1.00 0.00 C ATOM 1326 O PRO A 91 -7.138 -2.443 7.486 1.00 0.00 O ATOM 1327 CB PRO A 91 -9.927 -2.585 8.003 1.00 0.00 C ATOM 1328 CG PRO A 91 -10.081 -3.396 6.763 1.00 0.00 C ATOM 1329 CD PRO A 91 -10.302 -2.412 5.649 1.00 0.00 C ATOM 0 HA PRO A 91 -9.541 -0.412 8.107 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.325 -3.108 8.746 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.893 -2.379 8.464 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.193 -4.000 6.579 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.922 -4.084 6.849 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -9.874 -2.765 4.711 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.363 -2.239 5.470 1.00 0.00 H new ATOM 1337 N GLY A 92 -7.121 -0.296 8.156 1.00 0.00 N ATOM 1338 CA GLY A 92 -5.685 -0.282 8.367 1.00 0.00 C ATOM 1339 C GLY A 92 -5.009 0.885 7.674 1.00 0.00 C ATOM 1340 O GLY A 92 -3.883 1.248 8.013 1.00 0.00 O ATOM 0 H GLY A 92 -7.593 0.585 8.361 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.478 -0.235 9.436 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.258 -1.215 8.000 1.00 0.00 H new ATOM 1344 N SER A 93 -5.697 1.472 6.700 1.00 0.00 N ATOM 1345 CA SER A 93 -5.154 2.601 5.954 1.00 0.00 C ATOM 1346 C SER A 93 -5.451 3.917 6.666 1.00 0.00 C ATOM 1347 O SER A 93 -6.424 4.044 7.410 1.00 0.00 O ATOM 1348 CB SER A 93 -5.735 2.631 4.539 1.00 0.00 C ATOM 1349 OG SER A 93 -5.843 3.961 4.061 1.00 0.00 O ATOM 0 H SER A 93 -6.631 1.184 6.409 1.00 0.00 H new ATOM 0 HA SER A 93 -4.073 2.478 5.893 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.100 2.051 3.869 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.717 2.159 4.536 1.00 0.00 H new ATOM 0 HG SER A 93 -6.595 4.024 3.436 1.00 0.00 H new ATOM 1355 N PRO A 94 -4.592 4.921 6.435 1.00 0.00 N ATOM 1356 CA PRO A 94 -3.430 4.781 5.553 1.00 0.00 C ATOM 1357 C PRO A 94 -2.359 3.871 6.144 1.00 0.00 C ATOM 1358 O PRO A 94 -2.151 3.849 7.358 1.00 0.00 O ATOM 1359 CB PRO A 94 -2.905 6.214 5.428 1.00 0.00 C ATOM 1360 CG PRO A 94 -3.368 6.896 6.669 1.00 0.00 C ATOM 1361 CD PRO A 94 -4.690 6.270 7.018 1.00 0.00 C ATOM 0 HA PRO A 94 -3.695 4.325 4.599 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -1.818 6.232 5.348 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.298 6.703 4.537 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.649 6.765 7.478 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.475 7.969 6.508 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.844 6.232 8.096 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.524 6.831 6.596 1.00 0.00 H new ATOM 1369 N PHE A 95 -1.682 3.123 5.280 1.00 0.00 N ATOM 1370 CA PHE A 95 -0.632 2.211 5.718 1.00 0.00 C ATOM 1371 C PHE A 95 0.664 2.967 5.999 1.00 0.00 C ATOM 1372 O PHE A 95 1.361 3.392 5.077 1.00 0.00 O ATOM 1373 CB PHE A 95 -0.387 1.134 4.658 1.00 0.00 C ATOM 1374 CG PHE A 95 -1.444 0.067 4.633 1.00 0.00 C ATOM 1375 CD1 PHE A 95 -1.709 -0.691 5.762 1.00 0.00 C ATOM 1376 CD2 PHE A 95 -2.172 -0.178 3.480 1.00 0.00 C ATOM 1377 CE1 PHE A 95 -2.681 -1.674 5.742 1.00 0.00 C ATOM 1378 CE2 PHE A 95 -3.146 -1.159 3.455 1.00 0.00 C ATOM 1379 CZ PHE A 95 -3.399 -1.909 4.587 1.00 0.00 C ATOM 0 H PHE A 95 -1.841 3.130 4.273 1.00 0.00 H new ATOM 0 HA PHE A 95 -0.962 1.735 6.641 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.335 1.606 3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.582 0.670 4.840 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.150 -0.512 6.668 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.977 0.404 2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.878 -2.257 6.629 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.709 -1.339 2.551 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.157 -2.678 4.568 1.00 0.00 H new ATOM 1389 N LYS A 96 0.980 3.131 7.279 1.00 0.00 N ATOM 1390 CA LYS A 96 2.191 3.834 7.684 1.00 0.00 C ATOM 1391 C LYS A 96 3.434 3.013 7.355 1.00 0.00 C ATOM 1392 O LYS A 96 3.745 2.040 8.041 1.00 0.00 O ATOM 1393 CB LYS A 96 2.151 4.139 9.183 1.00 0.00 C ATOM 1394 CG LYS A 96 0.993 5.034 9.591 1.00 0.00 C ATOM 1395 CD LYS A 96 1.229 6.476 9.174 1.00 0.00 C ATOM 1396 CE LYS A 96 2.057 7.227 10.205 1.00 0.00 C ATOM 1397 NZ LYS A 96 2.570 8.519 9.671 1.00 0.00 N ATOM 0 H LYS A 96 0.414 2.786 8.054 1.00 0.00 H new ATOM 0 HA LYS A 96 2.239 4.771 7.129 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.086 3.201 9.734 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.087 4.615 9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.072 4.669 9.136 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.857 4.984 10.671 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.739 6.498 8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.271 6.978 9.040 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.450 7.416 11.091 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.895 6.606 10.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.129 9.000 10.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.170 8.338 8.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.770 9.123 9.394 1.00 0.00 H new ATOM 1411 N ILE A 97 4.139 3.412 6.302 1.00 0.00 N ATOM 1412 CA ILE A 97 5.349 2.714 5.885 1.00 0.00 C ATOM 1413 C ILE A 97 6.597 3.515 6.241 1.00 0.00 C ATOM 1414 O ILE A 97 6.659 4.723 6.010 1.00 0.00 O ATOM 1415 CB ILE A 97 5.345 2.439 4.369 1.00 0.00 C ATOM 1416 CG1 ILE A 97 5.190 3.747 3.591 1.00 0.00 C ATOM 1417 CG2 ILE A 97 4.231 1.467 4.010 1.00 0.00 C ATOM 1418 CD1 ILE A 97 5.400 3.593 2.101 1.00 0.00 C ATOM 0 H ILE A 97 3.893 4.214 5.722 1.00 0.00 H new ATOM 0 HA ILE A 97 5.365 1.764 6.419 1.00 0.00 H new ATOM 0 HB ILE A 97 6.298 1.986 4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.193 4.150 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.903 4.476 3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.241 1.283 2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.383 0.527 4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.270 1.894 4.296 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.275 4.560 1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.406 3.219 1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.670 2.888 1.702 1.00 0.00 H new ATOM 1430 N ARG A 98 7.589 2.834 6.804 1.00 0.00 N ATOM 1431 CA ARG A 98 8.836 3.482 7.193 1.00 0.00 C ATOM 1432 C ARG A 98 9.878 3.364 6.084 1.00 0.00 C ATOM 1433 O ARG A 98 10.174 2.267 5.610 1.00 0.00 O ATOM 1434 CB ARG A 98 9.377 2.863 8.483 1.00 0.00 C ATOM 1435 CG ARG A 98 10.545 3.628 9.082 1.00 0.00 C ATOM 1436 CD ARG A 98 10.993 3.019 10.402 1.00 0.00 C ATOM 1437 NE ARG A 98 11.948 3.872 11.103 1.00 0.00 N ATOM 1438 CZ ARG A 98 13.233 3.958 10.778 1.00 0.00 C ATOM 1439 NH1 ARG A 98 13.714 3.246 9.767 1.00 0.00 N ATOM 1440 NH2 ARG A 98 14.041 4.757 11.464 1.00 0.00 N ATOM 0 H ARG A 98 7.554 1.834 7.001 1.00 0.00 H new ATOM 0 HA ARG A 98 8.629 4.538 7.364 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.573 2.812 9.217 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.690 1.839 8.281 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.379 3.630 8.380 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.258 4.668 9.239 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.123 2.851 11.037 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.445 2.045 10.217 1.00 0.00 H new ATOM 0 HE ARG A 98 11.610 4.433 11.885 1.00 0.00 H new ATOM 0 HH11 ARG A 98 13.097 2.631 9.237 1.00 0.00 H new ATOM 0 HH12 ARG A 98 14.701 3.314 9.520 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.675 5.306 12.242 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.028 4.822 11.213 1.00 0.00 H new ATOM 1454 N VAL A 99 10.430 4.502 5.674 1.00 0.00 N ATOM 1455 CA VAL A 99 11.439 4.527 4.622 1.00 0.00 C ATOM 1456 C VAL A 99 12.793 4.962 5.170 1.00 0.00 C ATOM 1457 O VAL A 99 12.992 6.128 5.509 1.00 0.00 O ATOM 1458 CB VAL A 99 11.032 5.473 3.477 1.00 0.00 C ATOM 1459 CG1 VAL A 99 12.146 5.572 2.445 1.00 0.00 C ATOM 1460 CG2 VAL A 99 9.737 5.002 2.832 1.00 0.00 C ATOM 0 H VAL A 99 10.195 5.419 6.055 1.00 0.00 H new ATOM 0 HA VAL A 99 11.517 3.512 4.234 1.00 0.00 H new ATOM 0 HB VAL A 99 10.864 6.467 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.841 6.245 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 99 13.048 5.959 2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.348 4.584 2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.464 5.682 2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.875 3.998 2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.943 4.988 3.579 1.00 0.00 H new