USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 518 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 79 GLN : amide:sc= -6.99! C(o=-6.5!,f=-22!) USER MOD Set 1.2: A 83 THR OG1 : rot 88:sc= 0.49 USER MOD Single : A 17 SER OG : rot -171:sc= -1.64! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.578 K(o=-0.58,f=-3.1!) USER MOD Single : A 45 SER OG : rot 176:sc= 0.287 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -174:sc= -0.499 (180deg=-0.554) USER MOD Single : A 54 GLN : amide:sc= -3.45! C(o=-3.5!,f=-7.6!) USER MOD Single : A 56 HIS : no HD1:sc= -0.993 K(o=-0.99,f=-0.057) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.148 X(o=-0.15,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -4.81! C(o=-4.8!,f=-4.5!) USER MOD Single : A 73 THR OG1 : rot 50:sc= -7.1! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 90 N ALA A 14 1.497 -11.067 9.155 1.00 0.00 N ATOM 91 CA ALA A 14 1.524 -10.200 7.951 1.00 0.00 C ATOM 92 C ALA A 14 0.356 -9.223 8.006 1.00 0.00 C ATOM 93 O ALA A 14 0.340 -8.233 7.308 1.00 0.00 O ATOM 94 CB ALA A 14 1.444 -11.035 6.684 1.00 0.00 C ATOM 0 HA ALA A 14 2.463 -9.647 7.936 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.465 -10.379 5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.292 -11.718 6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.517 -11.608 6.684 1.00 0.00 H new ATOM 100 N VAL A 15 -0.609 -9.464 8.850 1.00 0.00 N ATOM 101 CA VAL A 15 -1.728 -8.496 8.948 1.00 0.00 C ATOM 102 C VAL A 15 -1.127 -7.211 9.501 1.00 0.00 C ATOM 103 O VAL A 15 -1.324 -6.123 8.979 1.00 0.00 O ATOM 104 CB VAL A 15 -2.809 -9.016 9.882 1.00 0.00 C ATOM 105 CG1 VAL A 15 -4.128 -8.334 9.516 1.00 0.00 C ATOM 106 CG2 VAL A 15 -2.943 -10.531 9.705 1.00 0.00 C ATOM 0 H VAL A 15 -0.669 -10.276 9.465 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.195 -8.335 7.976 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.553 -8.800 10.919 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.918 -8.693 10.175 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.023 -7.255 9.629 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.384 -8.567 8.482 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.717 -10.908 10.373 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.214 -10.754 8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.993 -11.010 9.943 1.00 0.00 H new ATOM 116 N GLU A 16 -0.340 -7.349 10.533 1.00 0.00 N ATOM 117 CA GLU A 16 0.344 -6.172 11.113 1.00 0.00 C ATOM 118 C GLU A 16 1.417 -5.745 10.117 1.00 0.00 C ATOM 119 O GLU A 16 1.815 -4.599 10.068 1.00 0.00 O ATOM 120 CB GLU A 16 0.985 -6.550 12.453 1.00 0.00 C ATOM 121 CG GLU A 16 -0.033 -7.308 13.310 1.00 0.00 C ATOM 122 CD GLU A 16 0.704 -8.242 14.272 1.00 0.00 C ATOM 123 OE1 GLU A 16 1.302 -7.742 15.211 1.00 0.00 O ATOM 124 OE2 GLU A 16 0.658 -9.441 14.055 1.00 0.00 O ATOM 0 H GLU A 16 -0.144 -8.235 10.998 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.359 -5.359 11.295 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.867 -7.168 12.285 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.319 -5.653 12.974 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.649 -6.604 13.870 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.705 -7.882 12.672 1.00 0.00 H new ATOM 131 N SER A 17 1.879 -6.667 9.304 1.00 0.00 N ATOM 132 CA SER A 17 2.910 -6.312 8.288 1.00 0.00 C ATOM 133 C SER A 17 2.343 -5.220 7.377 1.00 0.00 C ATOM 134 O SER A 17 2.968 -4.202 7.129 1.00 0.00 O ATOM 135 CB SER A 17 3.271 -7.529 7.440 1.00 0.00 C ATOM 136 OG SER A 17 4.070 -8.416 8.213 1.00 0.00 O ATOM 0 H SER A 17 1.586 -7.644 9.303 1.00 0.00 H new ATOM 0 HA SER A 17 3.808 -5.962 8.798 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.366 -8.035 7.104 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.812 -7.217 6.547 1.00 0.00 H new ATOM 0 HG SER A 17 4.422 -9.126 7.636 1.00 0.00 H new ATOM 142 N LYS A 18 1.148 -5.424 6.883 1.00 0.00 N ATOM 143 CA LYS A 18 0.524 -4.410 5.994 1.00 0.00 C ATOM 144 C LYS A 18 0.203 -3.164 6.810 1.00 0.00 C ATOM 145 O LYS A 18 0.660 -2.084 6.507 1.00 0.00 O ATOM 146 CB LYS A 18 -0.768 -4.973 5.395 1.00 0.00 C ATOM 147 CG LYS A 18 -1.375 -3.950 4.430 1.00 0.00 C ATOM 148 CD LYS A 18 -0.278 -3.379 3.527 1.00 0.00 C ATOM 149 CE LYS A 18 -0.911 -2.763 2.277 1.00 0.00 C ATOM 150 NZ LYS A 18 -0.356 -3.420 1.060 1.00 0.00 N ATOM 0 H LYS A 18 0.580 -6.252 7.060 1.00 0.00 H new ATOM 0 HA LYS A 18 1.213 -4.158 5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.561 -5.905 4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.478 -5.205 6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.149 -4.421 3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.853 -3.147 4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.295 -2.625 4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.420 -4.167 3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.994 -2.886 2.307 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.712 -1.692 2.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.787 -3.000 0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.674 -3.281 1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.567 -4.438 1.088 1.00 0.00 H new ATOM 164 N LEU A 19 -0.572 -3.303 7.851 1.00 0.00 N ATOM 165 CA LEU A 19 -0.903 -2.108 8.678 1.00 0.00 C ATOM 166 C LEU A 19 0.395 -1.437 9.122 1.00 0.00 C ATOM 167 O LEU A 19 0.416 -0.276 9.468 1.00 0.00 O ATOM 168 CB LEU A 19 -1.721 -2.533 9.899 1.00 0.00 C ATOM 169 CG LEU A 19 -3.211 -2.356 9.601 1.00 0.00 C ATOM 170 CD1 LEU A 19 -3.951 -3.667 9.876 1.00 0.00 C ATOM 171 CD2 LEU A 19 -3.778 -1.254 10.497 1.00 0.00 C ATOM 0 H LEU A 19 -0.986 -4.182 8.162 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.494 -1.404 8.091 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.510 -3.573 10.147 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.439 -1.935 10.765 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.341 -2.082 8.554 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.012 -3.538 9.663 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.546 -4.454 9.239 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.822 -3.945 10.922 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.840 -1.125 10.287 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.646 -1.531 11.543 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.253 -0.319 10.300 1.00 0.00 H new ATOM 183 N ALA A 20 1.488 -2.147 9.081 1.00 0.00 N ATOM 184 CA ALA A 20 2.783 -1.524 9.464 1.00 0.00 C ATOM 185 C ALA A 20 3.199 -0.613 8.315 1.00 0.00 C ATOM 186 O ALA A 20 3.481 0.556 8.498 1.00 0.00 O ATOM 187 CB ALA A 20 3.841 -2.609 9.677 1.00 0.00 C ATOM 0 H ALA A 20 1.540 -3.126 8.800 1.00 0.00 H new ATOM 0 HA ALA A 20 2.684 -0.960 10.392 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.787 -2.145 9.957 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.517 -3.282 10.471 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.973 -3.174 8.754 1.00 0.00 H new ATOM 193 N GLU A 21 3.206 -1.139 7.119 1.00 0.00 N ATOM 194 CA GLU A 21 3.566 -0.296 5.947 1.00 0.00 C ATOM 195 C GLU A 21 2.594 0.883 5.892 1.00 0.00 C ATOM 196 O GLU A 21 2.979 2.020 6.047 1.00 0.00 O ATOM 197 CB GLU A 21 3.454 -1.121 4.663 1.00 0.00 C ATOM 198 CG GLU A 21 4.855 -1.425 4.130 1.00 0.00 C ATOM 199 CD GLU A 21 4.764 -1.846 2.662 1.00 0.00 C ATOM 200 OE1 GLU A 21 4.541 -0.982 1.832 1.00 0.00 O ATOM 201 OE2 GLU A 21 4.920 -3.026 2.394 1.00 0.00 O ATOM 0 H GLU A 21 2.979 -2.110 6.906 1.00 0.00 H new ATOM 0 HA GLU A 21 4.590 0.064 6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.919 -2.050 4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.879 -0.574 3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.491 -0.545 4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.315 -2.219 4.719 1.00 0.00 H new ATOM 208 N ILE A 22 1.330 0.619 5.687 1.00 0.00 N ATOM 209 CA ILE A 22 0.332 1.732 5.644 1.00 0.00 C ATOM 210 C ILE A 22 0.628 2.707 6.786 1.00 0.00 C ATOM 211 O ILE A 22 0.800 3.891 6.586 1.00 0.00 O ATOM 212 CB ILE A 22 -1.105 1.175 5.755 1.00 0.00 C ATOM 213 CG1 ILE A 22 -1.982 2.077 6.632 1.00 0.00 C ATOM 214 CG2 ILE A 22 -1.093 -0.225 6.327 1.00 0.00 C ATOM 215 CD1 ILE A 22 -2.151 3.433 5.944 1.00 0.00 C ATOM 0 H ILE A 22 0.945 -0.315 5.548 1.00 0.00 H new ATOM 0 HA ILE A 22 0.410 2.258 4.692 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.524 1.149 4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.955 1.613 6.793 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.525 2.207 7.613 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.115 -0.598 6.397 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.511 -0.879 5.677 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.644 -0.208 7.320 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.774 4.080 6.562 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.174 3.895 5.806 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.626 3.292 4.973 1.00 0.00 H new ATOM 227 N TRP A 23 0.683 2.206 7.978 1.00 0.00 N ATOM 228 CA TRP A 23 0.958 3.074 9.154 1.00 0.00 C ATOM 229 C TRP A 23 2.073 4.076 8.845 1.00 0.00 C ATOM 230 O TRP A 23 1.901 5.268 8.984 1.00 0.00 O ATOM 231 CB TRP A 23 1.407 2.202 10.322 1.00 0.00 C ATOM 232 CG TRP A 23 0.257 1.959 11.236 1.00 0.00 C ATOM 233 CD1 TRP A 23 -0.915 1.390 10.881 1.00 0.00 C ATOM 234 CD2 TRP A 23 0.154 2.266 12.651 1.00 0.00 C ATOM 235 NE1 TRP A 23 -1.732 1.326 11.992 1.00 0.00 N ATOM 236 CE2 TRP A 23 -1.116 1.855 13.109 1.00 0.00 C ATOM 237 CE3 TRP A 23 1.034 2.855 13.571 1.00 0.00 C ATOM 238 CZ2 TRP A 23 -1.504 2.022 14.436 1.00 0.00 C ATOM 239 CZ3 TRP A 23 0.650 3.027 14.912 1.00 0.00 C ATOM 240 CH2 TRP A 23 -0.617 2.611 15.344 1.00 0.00 C ATOM 0 H TRP A 23 0.548 1.219 8.196 1.00 0.00 H new ATOM 0 HA TRP A 23 0.047 3.619 9.401 1.00 0.00 H new ATOM 0 HB2 TRP A 23 1.797 1.254 9.952 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.217 2.691 10.863 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -1.171 1.042 9.891 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.675 0.936 11.988 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.012 3.178 13.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -2.482 1.699 14.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.334 3.482 15.613 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.908 2.745 16.375 1.00 0.00 H new ATOM 251 N GLU A 24 3.226 3.606 8.468 1.00 0.00 N ATOM 252 CA GLU A 24 4.357 4.546 8.203 1.00 0.00 C ATOM 253 C GLU A 24 4.062 5.439 6.996 1.00 0.00 C ATOM 254 O GLU A 24 4.512 6.565 6.922 1.00 0.00 O ATOM 255 CB GLU A 24 5.646 3.753 7.961 1.00 0.00 C ATOM 256 CG GLU A 24 5.649 3.157 6.551 1.00 0.00 C ATOM 257 CD GLU A 24 7.059 2.672 6.208 1.00 0.00 C ATOM 258 OE1 GLU A 24 7.448 1.634 6.718 1.00 0.00 O ATOM 259 OE2 GLU A 24 7.726 3.347 5.443 1.00 0.00 O ATOM 0 H GLU A 24 3.438 2.618 8.331 1.00 0.00 H new ATOM 0 HA GLU A 24 4.480 5.185 9.077 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.511 4.404 8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.735 2.956 8.700 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.943 2.328 6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.323 3.904 5.827 1.00 0.00 H new ATOM 266 N ARG A 25 3.320 4.955 6.047 1.00 0.00 N ATOM 267 CA ARG A 25 3.015 5.788 4.851 1.00 0.00 C ATOM 268 C ARG A 25 1.974 6.850 5.209 1.00 0.00 C ATOM 269 O ARG A 25 2.267 8.027 5.283 1.00 0.00 O ATOM 270 CB ARG A 25 2.457 4.901 3.740 1.00 0.00 C ATOM 271 CG ARG A 25 1.960 5.783 2.594 1.00 0.00 C ATOM 272 CD ARG A 25 1.603 4.906 1.394 1.00 0.00 C ATOM 273 NE ARG A 25 2.850 4.367 0.787 1.00 0.00 N ATOM 274 CZ ARG A 25 2.931 4.215 -0.506 1.00 0.00 C ATOM 275 NH1 ARG A 25 3.374 5.190 -1.250 1.00 0.00 N ATOM 276 NH2 ARG A 25 2.568 3.089 -1.055 1.00 0.00 N ATOM 0 H ARG A 25 2.911 4.021 6.044 1.00 0.00 H new ATOM 0 HA ARG A 25 3.931 6.273 4.514 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.228 4.219 3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.641 4.288 4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.088 6.354 2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.729 6.503 2.315 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.955 4.088 1.708 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.048 5.487 0.657 1.00 0.00 H new ATOM 0 HE ARG A 25 3.640 4.117 1.381 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.657 6.071 -0.821 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.438 5.072 -2.261 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.221 2.327 -0.473 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.632 2.971 -2.066 1.00 0.00 H new ATOM 290 N VAL A 26 0.757 6.437 5.416 1.00 0.00 N ATOM 291 CA VAL A 26 -0.322 7.407 5.752 1.00 0.00 C ATOM 292 C VAL A 26 0.068 8.243 6.975 1.00 0.00 C ATOM 293 O VAL A 26 -0.276 9.404 7.070 1.00 0.00 O ATOM 294 CB VAL A 26 -1.612 6.639 6.041 1.00 0.00 C ATOM 295 CG1 VAL A 26 -2.683 7.607 6.544 1.00 0.00 C ATOM 296 CG2 VAL A 26 -2.099 5.969 4.753 1.00 0.00 C ATOM 0 H VAL A 26 0.460 5.462 5.367 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.472 8.080 4.908 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.422 5.882 6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.602 7.058 6.750 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.337 8.090 7.458 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.875 8.364 5.784 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.019 5.420 4.954 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.289 6.730 3.996 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.337 5.279 4.391 1.00 0.00 H new ATOM 306 N LEU A 27 0.774 7.673 7.916 1.00 0.00 N ATOM 307 CA LEU A 27 1.159 8.463 9.123 1.00 0.00 C ATOM 308 C LEU A 27 2.456 9.231 8.851 1.00 0.00 C ATOM 309 O LEU A 27 2.782 10.176 9.541 1.00 0.00 O ATOM 310 CB LEU A 27 1.348 7.522 10.313 1.00 0.00 C ATOM 311 CG LEU A 27 0.129 6.604 10.430 1.00 0.00 C ATOM 312 CD1 LEU A 27 0.294 5.682 11.637 1.00 0.00 C ATOM 313 CD2 LEU A 27 -1.133 7.452 10.606 1.00 0.00 C ATOM 0 H LEU A 27 1.098 6.706 7.903 1.00 0.00 H new ATOM 0 HA LEU A 27 0.368 9.177 9.353 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.253 6.929 10.182 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.474 8.097 11.230 1.00 0.00 H new ATOM 0 HG LEU A 27 0.042 6.003 9.525 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.575 5.029 11.718 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.192 5.077 11.512 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.383 6.281 12.543 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.002 6.799 10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.044 8.054 11.510 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.254 8.108 9.744 1.00 0.00 H new ATOM 325 N GLY A 28 3.192 8.845 7.845 1.00 0.00 N ATOM 326 CA GLY A 28 4.456 9.569 7.526 1.00 0.00 C ATOM 327 C GLY A 28 5.559 9.167 8.509 1.00 0.00 C ATOM 328 O GLY A 28 6.472 9.925 8.769 1.00 0.00 O ATOM 0 H GLY A 28 2.974 8.061 7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.767 9.341 6.506 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.290 10.645 7.575 1.00 0.00 H new ATOM 332 N VAL A 29 5.492 7.982 9.049 1.00 0.00 N ATOM 333 CA VAL A 29 6.552 7.543 10.002 1.00 0.00 C ATOM 334 C VAL A 29 7.496 6.583 9.283 1.00 0.00 C ATOM 335 O VAL A 29 7.359 6.332 8.103 1.00 0.00 O ATOM 336 CB VAL A 29 5.934 6.828 11.214 1.00 0.00 C ATOM 337 CG1 VAL A 29 6.468 7.458 12.499 1.00 0.00 C ATOM 338 CG2 VAL A 29 4.409 6.956 11.188 1.00 0.00 C ATOM 0 H VAL A 29 4.753 7.301 8.874 1.00 0.00 H new ATOM 0 HA VAL A 29 7.094 8.420 10.355 1.00 0.00 H new ATOM 0 HB VAL A 29 6.203 5.772 11.175 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.031 6.953 13.361 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.553 7.357 12.530 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.201 8.515 12.524 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.986 6.445 12.053 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.132 8.010 11.218 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.022 6.505 10.274 1.00 0.00 H new ATOM 348 N SER A 30 8.453 6.039 9.981 1.00 0.00 N ATOM 349 CA SER A 30 9.396 5.092 9.327 1.00 0.00 C ATOM 350 C SER A 30 9.737 3.963 10.300 1.00 0.00 C ATOM 351 O SER A 30 10.748 3.995 10.974 1.00 0.00 O ATOM 352 CB SER A 30 10.673 5.835 8.930 1.00 0.00 C ATOM 353 OG SER A 30 11.496 4.973 8.154 1.00 0.00 O ATOM 0 H SER A 30 8.622 6.209 10.972 1.00 0.00 H new ATOM 0 HA SER A 30 8.932 4.672 8.434 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.424 6.730 8.360 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.208 6.163 9.821 1.00 0.00 H new ATOM 0 HG SER A 30 12.315 5.446 7.897 1.00 0.00 H new ATOM 359 N GLY A 31 8.900 2.964 10.379 1.00 0.00 N ATOM 360 CA GLY A 31 9.173 1.833 11.309 1.00 0.00 C ATOM 361 C GLY A 31 7.926 1.552 12.151 1.00 0.00 C ATOM 362 O GLY A 31 7.218 0.590 11.927 1.00 0.00 O ATOM 0 H GLY A 31 8.039 2.883 9.839 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.452 0.943 10.744 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.015 2.076 11.957 1.00 0.00 H new ATOM 366 N ILE A 32 7.647 2.388 13.116 1.00 0.00 N ATOM 367 CA ILE A 32 6.442 2.172 13.967 1.00 0.00 C ATOM 368 C ILE A 32 6.525 0.800 14.645 1.00 0.00 C ATOM 369 O ILE A 32 7.149 -0.115 14.144 1.00 0.00 O ATOM 370 CB ILE A 32 5.192 2.244 13.090 1.00 0.00 C ATOM 371 CG1 ILE A 32 5.160 3.596 12.374 1.00 0.00 C ATOM 372 CG2 ILE A 32 3.942 2.101 13.958 1.00 0.00 C ATOM 373 CD1 ILE A 32 4.925 3.376 10.880 1.00 0.00 C ATOM 0 H ILE A 32 8.202 3.211 13.351 1.00 0.00 H new ATOM 0 HA ILE A 32 6.393 2.943 14.736 1.00 0.00 H new ATOM 0 HB ILE A 32 5.215 1.437 12.358 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.369 4.221 12.789 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.100 4.125 12.531 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.054 2.153 13.328 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.965 1.141 14.474 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.914 2.907 14.692 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.902 4.339 10.370 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.731 2.767 10.471 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.974 2.865 10.733 1.00 0.00 H new ATOM 385 N GLY A 33 5.905 0.651 15.784 1.00 0.00 N ATOM 386 CA GLY A 33 5.954 -0.657 16.496 1.00 0.00 C ATOM 387 C GLY A 33 4.700 -1.478 16.172 1.00 0.00 C ATOM 388 O GLY A 33 4.322 -1.608 15.026 1.00 0.00 O ATOM 0 H GLY A 33 5.366 1.380 16.252 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.846 -1.208 16.200 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.023 -0.493 17.571 1.00 0.00 H new ATOM 392 N ILE A 34 4.059 -2.051 17.160 1.00 0.00 N ATOM 393 CA ILE A 34 2.848 -2.869 16.874 1.00 0.00 C ATOM 394 C ILE A 34 1.635 -2.290 17.607 1.00 0.00 C ATOM 395 O ILE A 34 0.723 -1.780 16.993 1.00 0.00 O ATOM 396 CB ILE A 34 3.093 -4.306 17.332 1.00 0.00 C ATOM 397 CG1 ILE A 34 4.426 -4.794 16.758 1.00 0.00 C ATOM 398 CG2 ILE A 34 1.960 -5.203 16.832 1.00 0.00 C ATOM 399 CD1 ILE A 34 5.045 -5.827 17.701 1.00 0.00 C ATOM 0 H ILE A 34 4.322 -1.987 18.144 1.00 0.00 H new ATOM 0 HA ILE A 34 2.648 -2.855 15.803 1.00 0.00 H new ATOM 0 HB ILE A 34 3.126 -4.344 18.421 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.270 -5.234 15.773 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.107 -3.953 16.627 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.136 -6.228 17.159 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.011 -4.851 17.237 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.924 -5.171 15.743 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.994 -6.173 17.290 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.216 -5.372 18.677 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.367 -6.673 17.809 1.00 0.00 H new ATOM 411 N LEU A 35 1.613 -2.345 18.912 1.00 0.00 N ATOM 412 CA LEU A 35 0.443 -1.784 19.650 1.00 0.00 C ATOM 413 C LEU A 35 0.641 -0.281 19.863 1.00 0.00 C ATOM 414 O LEU A 35 0.250 0.280 20.865 1.00 0.00 O ATOM 415 CB LEU A 35 0.278 -2.487 20.999 1.00 0.00 C ATOM 416 CG LEU A 35 -1.202 -2.489 21.390 1.00 0.00 C ATOM 417 CD1 LEU A 35 -1.454 -3.567 22.445 1.00 0.00 C ATOM 418 CD2 LEU A 35 -1.580 -1.121 21.962 1.00 0.00 C ATOM 0 H LEU A 35 2.346 -2.750 19.494 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.459 -1.948 19.060 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.651 -3.509 20.938 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.867 -1.978 21.762 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.808 -2.697 20.508 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.508 -3.566 22.721 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.186 -4.543 22.040 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.847 -3.362 23.327 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.634 -1.122 22.241 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.972 -0.914 22.843 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.404 -0.351 21.211 1.00 0.00 H new ATOM 430 N ASP A 36 1.235 0.372 18.907 1.00 0.00 N ATOM 431 CA ASP A 36 1.453 1.839 19.010 1.00 0.00 C ATOM 432 C ASP A 36 0.108 2.547 19.167 1.00 0.00 C ATOM 433 O ASP A 36 -0.909 1.933 19.414 1.00 0.00 O ATOM 434 CB ASP A 36 2.103 2.333 17.716 1.00 0.00 C ATOM 435 CG ASP A 36 3.606 2.517 17.933 1.00 0.00 C ATOM 436 OD1 ASP A 36 4.267 1.534 18.222 1.00 0.00 O ATOM 437 OD2 ASP A 36 4.069 3.638 17.807 1.00 0.00 O ATOM 0 H ASP A 36 1.583 -0.054 18.048 1.00 0.00 H new ATOM 0 HA ASP A 36 2.090 2.051 19.869 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.926 1.618 16.913 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.652 3.276 17.408 1.00 0.00 H new ATOM 442 N ASN A 37 0.100 3.838 18.999 1.00 0.00 N ATOM 443 CA ASN A 37 -1.170 4.606 19.100 1.00 0.00 C ATOM 444 C ASN A 37 -1.227 5.572 17.916 1.00 0.00 C ATOM 445 O ASN A 37 -0.399 6.445 17.783 1.00 0.00 O ATOM 446 CB ASN A 37 -1.201 5.388 20.416 1.00 0.00 C ATOM 447 CG ASN A 37 -2.369 4.893 21.275 1.00 0.00 C ATOM 448 OD1 ASN A 37 -2.957 3.869 20.988 1.00 0.00 O ATOM 449 ND2 ASN A 37 -2.732 5.581 22.324 1.00 0.00 N ATOM 0 H ASN A 37 0.927 4.399 18.794 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.027 3.932 19.081 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.261 5.258 20.951 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.309 6.454 20.216 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.508 5.259 22.902 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.239 6.441 22.566 1.00 0.00 H new ATOM 456 N PHE A 38 -2.176 5.404 17.038 1.00 0.00 N ATOM 457 CA PHE A 38 -2.255 6.310 15.837 1.00 0.00 C ATOM 458 C PHE A 38 -1.972 7.766 16.230 1.00 0.00 C ATOM 459 O PHE A 38 -1.572 8.561 15.402 1.00 0.00 O ATOM 460 CB PHE A 38 -3.652 6.226 15.181 1.00 0.00 C ATOM 461 CG PHE A 38 -3.835 4.892 14.489 1.00 0.00 C ATOM 462 CD1 PHE A 38 -3.230 4.630 13.252 1.00 0.00 C ATOM 463 CD2 PHE A 38 -4.591 3.904 15.110 1.00 0.00 C ATOM 464 CE1 PHE A 38 -3.385 3.374 12.652 1.00 0.00 C ATOM 465 CE2 PHE A 38 -4.751 2.655 14.513 1.00 0.00 C ATOM 466 CZ PHE A 38 -4.146 2.385 13.288 1.00 0.00 C ATOM 0 H PHE A 38 -2.899 4.687 17.091 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.500 5.978 15.125 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.424 6.358 15.939 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.771 7.035 14.460 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.646 5.395 12.763 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.058 4.106 16.063 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.918 3.168 11.700 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.345 1.896 15.001 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.263 1.414 12.829 1.00 0.00 H new ATOM 563 N SER A 45 -7.129 12.923 12.717 1.00 0.00 N ATOM 564 CA SER A 45 -7.343 11.449 12.705 1.00 0.00 C ATOM 565 C SER A 45 -7.501 10.968 11.261 1.00 0.00 C ATOM 566 O SER A 45 -7.535 9.784 10.990 1.00 0.00 O ATOM 567 CB SER A 45 -8.607 11.109 13.495 1.00 0.00 C ATOM 568 OG SER A 45 -8.434 9.856 14.144 1.00 0.00 O ATOM 0 HA SER A 45 -6.485 10.955 13.162 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.810 11.887 14.231 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.467 11.070 12.827 1.00 0.00 H new ATOM 0 HG SER A 45 -9.216 9.667 14.704 1.00 0.00 H new ATOM 574 N LEU A 46 -7.597 11.877 10.329 1.00 0.00 N ATOM 575 CA LEU A 46 -7.751 11.470 8.904 1.00 0.00 C ATOM 576 C LEU A 46 -6.628 10.503 8.525 1.00 0.00 C ATOM 577 O LEU A 46 -6.756 9.719 7.606 1.00 0.00 O ATOM 578 CB LEU A 46 -7.679 12.710 8.010 1.00 0.00 C ATOM 579 CG LEU A 46 -8.937 12.789 7.143 1.00 0.00 C ATOM 580 CD1 LEU A 46 -9.157 11.450 6.438 1.00 0.00 C ATOM 581 CD2 LEU A 46 -10.145 13.104 8.027 1.00 0.00 C ATOM 0 H LEU A 46 -7.575 12.883 10.493 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.714 10.979 8.768 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.589 13.608 8.622 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.792 12.665 7.379 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.816 13.575 6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.053 11.507 5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.296 11.225 5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.278 10.663 7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.042 13.161 7.410 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.266 12.318 8.772 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.989 14.059 8.529 1.00 0.00 H new ATOM 593 N LYS A 47 -5.527 10.553 9.223 1.00 0.00 N ATOM 594 CA LYS A 47 -4.398 9.637 8.897 1.00 0.00 C ATOM 595 C LYS A 47 -4.762 8.207 9.305 1.00 0.00 C ATOM 596 O LYS A 47 -4.953 7.340 8.467 1.00 0.00 O ATOM 597 CB LYS A 47 -3.142 10.084 9.647 1.00 0.00 C ATOM 598 CG LYS A 47 -2.096 10.559 8.639 1.00 0.00 C ATOM 599 CD LYS A 47 -1.936 12.076 8.743 1.00 0.00 C ATOM 600 CE LYS A 47 -0.508 12.463 8.350 1.00 0.00 C ATOM 601 NZ LYS A 47 -0.493 13.863 7.842 1.00 0.00 N ATOM 0 H LYS A 47 -5.360 11.188 10.004 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.206 9.667 7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.386 10.888 10.342 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.745 9.260 10.240 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.142 10.068 8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.398 10.283 7.629 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.653 12.574 8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.148 12.407 9.760 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.155 12.370 9.210 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.134 11.783 7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.477 14.125 7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.113 13.937 7.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.833 14.506 8.585 1.00 0.00 H new ATOM 615 N ALA A 48 -4.867 7.944 10.580 1.00 0.00 N ATOM 616 CA ALA A 48 -5.225 6.567 11.008 1.00 0.00 C ATOM 617 C ALA A 48 -6.405 6.096 10.170 1.00 0.00 C ATOM 618 O ALA A 48 -6.410 4.993 9.670 1.00 0.00 O ATOM 619 CB ALA A 48 -5.603 6.546 12.485 1.00 0.00 C ATOM 0 H ALA A 48 -4.722 8.616 11.333 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.369 5.907 10.866 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.862 5.529 12.780 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.759 6.893 13.081 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.458 7.201 12.651 1.00 0.00 H new ATOM 625 N MET A 49 -7.399 6.929 9.983 1.00 0.00 N ATOM 626 CA MET A 49 -8.544 6.501 9.138 1.00 0.00 C ATOM 627 C MET A 49 -7.960 5.984 7.831 1.00 0.00 C ATOM 628 O MET A 49 -8.217 4.875 7.434 1.00 0.00 O ATOM 629 CB MET A 49 -9.478 7.682 8.846 1.00 0.00 C ATOM 630 CG MET A 49 -10.840 7.204 8.290 1.00 0.00 C ATOM 631 SD MET A 49 -10.836 5.420 7.907 1.00 0.00 S ATOM 632 CE MET A 49 -11.164 5.525 6.129 1.00 0.00 C ATOM 0 H MET A 49 -7.463 7.869 10.373 1.00 0.00 H new ATOM 0 HA MET A 49 -9.126 5.735 9.651 1.00 0.00 H new ATOM 0 HB2 MET A 49 -9.638 8.255 9.759 1.00 0.00 H new ATOM 0 HB3 MET A 49 -9.005 8.352 8.128 1.00 0.00 H new ATOM 0 HG2 MET A 49 -11.623 7.416 9.018 1.00 0.00 H new ATOM 0 HG3 MET A 49 -11.081 7.767 7.389 1.00 0.00 H new ATOM 0 HE1 MET A 49 -11.305 4.522 5.725 1.00 0.00 H new ATOM 0 HE2 MET A 49 -12.065 6.115 5.959 1.00 0.00 H new ATOM 0 HE3 MET A 49 -10.319 6.001 5.631 1.00 0.00 H new ATOM 642 N ALA A 50 -7.149 6.775 7.172 1.00 0.00 N ATOM 643 CA ALA A 50 -6.530 6.306 5.901 1.00 0.00 C ATOM 644 C ALA A 50 -6.056 4.869 6.110 1.00 0.00 C ATOM 645 O ALA A 50 -6.246 4.013 5.272 1.00 0.00 O ATOM 646 CB ALA A 50 -5.338 7.197 5.546 1.00 0.00 C ATOM 0 H ALA A 50 -6.892 7.719 7.460 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.253 6.353 5.087 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.889 6.850 4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.676 8.226 5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.598 7.151 6.345 1.00 0.00 H new ATOM 652 N VAL A 51 -5.465 4.601 7.244 1.00 0.00 N ATOM 653 CA VAL A 51 -5.002 3.211 7.538 1.00 0.00 C ATOM 654 C VAL A 51 -6.208 2.260 7.500 1.00 0.00 C ATOM 655 O VAL A 51 -6.177 1.216 6.871 1.00 0.00 O ATOM 656 CB VAL A 51 -4.373 3.179 8.935 1.00 0.00 C ATOM 657 CG1 VAL A 51 -3.682 1.835 9.153 1.00 0.00 C ATOM 658 CG2 VAL A 51 -3.347 4.310 9.074 1.00 0.00 C ATOM 0 H VAL A 51 -5.282 5.283 7.980 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.267 2.899 6.796 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.156 3.313 9.682 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.235 1.813 10.147 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.413 1.032 9.066 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.904 1.700 8.402 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.905 4.280 10.070 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.564 4.185 8.326 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.841 5.270 8.925 1.00 0.00 H new ATOM 668 N ALA A 52 -7.275 2.615 8.162 1.00 0.00 N ATOM 669 CA ALA A 52 -8.477 1.742 8.155 1.00 0.00 C ATOM 670 C ALA A 52 -8.924 1.546 6.705 1.00 0.00 C ATOM 671 O ALA A 52 -9.421 0.501 6.333 1.00 0.00 O ATOM 672 CB ALA A 52 -9.593 2.403 8.968 1.00 0.00 C ATOM 0 H ALA A 52 -7.364 3.473 8.707 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.247 0.775 8.602 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.475 1.763 8.963 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.257 2.550 9.995 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.843 3.368 8.526 1.00 0.00 H new ATOM 678 N ALA A 53 -8.714 2.533 5.875 1.00 0.00 N ATOM 679 CA ALA A 53 -9.085 2.396 4.444 1.00 0.00 C ATOM 680 C ALA A 53 -8.108 1.406 3.832 1.00 0.00 C ATOM 681 O ALA A 53 -8.444 0.633 2.961 1.00 0.00 O ATOM 682 CB ALA A 53 -8.966 3.748 3.740 1.00 0.00 C ATOM 0 H ALA A 53 -8.300 3.429 6.131 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.114 2.052 4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.240 3.637 2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.634 4.466 4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.939 4.106 3.811 1.00 0.00 H new ATOM 688 N GLN A 54 -6.897 1.411 4.319 1.00 0.00 N ATOM 689 CA GLN A 54 -5.887 0.454 3.817 1.00 0.00 C ATOM 690 C GLN A 54 -6.386 -0.946 4.155 1.00 0.00 C ATOM 691 O GLN A 54 -6.141 -1.899 3.448 1.00 0.00 O ATOM 692 CB GLN A 54 -4.551 0.712 4.513 1.00 0.00 C ATOM 693 CG GLN A 54 -3.508 -0.263 3.977 1.00 0.00 C ATOM 694 CD GLN A 54 -3.000 0.219 2.617 1.00 0.00 C ATOM 695 OE1 GLN A 54 -2.866 -0.563 1.695 1.00 0.00 O ATOM 696 NE2 GLN A 54 -2.702 1.479 2.449 1.00 0.00 N ATOM 0 H GLN A 54 -6.568 2.044 5.048 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.743 0.563 2.742 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.229 1.739 4.339 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.660 0.590 5.591 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.677 -0.343 4.678 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.942 -1.258 3.882 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.814 2.137 3.221 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.358 1.806 1.546 1.00 0.00 H new ATOM 705 N VAL A 55 -7.104 -1.059 5.241 1.00 0.00 N ATOM 706 CA VAL A 55 -7.655 -2.383 5.647 1.00 0.00 C ATOM 707 C VAL A 55 -8.857 -2.724 4.759 1.00 0.00 C ATOM 708 O VAL A 55 -9.168 -3.875 4.528 1.00 0.00 O ATOM 709 CB VAL A 55 -8.126 -2.309 7.102 1.00 0.00 C ATOM 710 CG1 VAL A 55 -8.220 -3.718 7.684 1.00 0.00 C ATOM 711 CG2 VAL A 55 -7.140 -1.486 7.932 1.00 0.00 C ATOM 0 H VAL A 55 -7.333 -0.287 5.867 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.884 -3.146 5.542 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.106 -1.833 7.131 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.555 -3.662 8.720 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.932 -4.305 7.103 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.240 -4.194 7.645 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.484 -1.440 8.965 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.156 -1.954 7.898 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.076 -0.477 7.525 1.00 0.00 H new ATOM 721 N HIS A 56 -9.547 -1.728 4.277 1.00 0.00 N ATOM 722 CA HIS A 56 -10.743 -1.981 3.418 1.00 0.00 C ATOM 723 C HIS A 56 -10.301 -2.358 2.000 1.00 0.00 C ATOM 724 O HIS A 56 -10.931 -3.160 1.339 1.00 0.00 O ATOM 725 CB HIS A 56 -11.602 -0.713 3.380 1.00 0.00 C ATOM 726 CG HIS A 56 -12.940 -1.031 2.773 1.00 0.00 C ATOM 727 ND1 HIS A 56 -14.125 -0.874 3.474 1.00 0.00 N ATOM 728 CD2 HIS A 56 -13.297 -1.495 1.532 1.00 0.00 C ATOM 729 CE1 HIS A 56 -15.130 -1.239 2.658 1.00 0.00 C ATOM 730 NE2 HIS A 56 -14.681 -1.626 1.462 1.00 0.00 N ATOM 0 H HIS A 56 -9.335 -0.744 4.441 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.324 -2.806 3.830 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.733 -0.319 4.388 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.101 0.061 2.798 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -12.609 -1.724 0.732 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -16.173 -1.221 2.937 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -15.233 -1.948 0.667 1.00 0.00 H new ATOM 738 N ARG A 57 -9.217 -1.806 1.531 1.00 0.00 N ATOM 739 CA ARG A 57 -8.738 -2.160 0.165 1.00 0.00 C ATOM 740 C ARG A 57 -7.983 -3.482 0.263 1.00 0.00 C ATOM 741 O ARG A 57 -8.191 -4.398 -0.509 1.00 0.00 O ATOM 742 CB ARG A 57 -7.799 -1.070 -0.355 1.00 0.00 C ATOM 743 CG ARG A 57 -8.512 0.283 -0.320 1.00 0.00 C ATOM 744 CD ARG A 57 -7.873 1.221 -1.346 1.00 0.00 C ATOM 745 NE ARG A 57 -8.573 1.076 -2.654 1.00 0.00 N ATOM 746 CZ ARG A 57 -8.170 1.761 -3.691 1.00 0.00 C ATOM 747 NH1 ARG A 57 -6.991 2.318 -3.686 1.00 0.00 N ATOM 748 NH2 ARG A 57 -8.950 1.890 -4.730 1.00 0.00 N ATOM 0 H ARG A 57 -8.643 -1.127 2.032 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.580 -2.249 -0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.896 -1.032 0.255 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.486 -1.301 -1.373 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.572 0.154 -0.540 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.444 0.717 0.678 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.936 2.253 -1.000 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.815 0.987 -1.460 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.367 0.442 -2.740 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.384 2.219 -2.873 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.676 2.853 -4.495 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.873 1.456 -4.732 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.636 2.425 -5.540 1.00 0.00 H new ATOM 762 N GLU A 58 -7.120 -3.586 1.233 1.00 0.00 N ATOM 763 CA GLU A 58 -6.353 -4.843 1.431 1.00 0.00 C ATOM 764 C GLU A 58 -7.341 -5.957 1.755 1.00 0.00 C ATOM 765 O GLU A 58 -7.186 -7.091 1.346 1.00 0.00 O ATOM 766 CB GLU A 58 -5.394 -4.649 2.607 1.00 0.00 C ATOM 767 CG GLU A 58 -4.121 -3.931 2.144 1.00 0.00 C ATOM 768 CD GLU A 58 -4.459 -2.886 1.073 1.00 0.00 C ATOM 769 OE1 GLU A 58 -4.834 -1.786 1.444 1.00 0.00 O ATOM 770 OE2 GLU A 58 -4.340 -3.208 -0.098 1.00 0.00 O ATOM 0 H GLU A 58 -6.912 -2.846 1.903 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.786 -5.098 0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.882 -4.069 3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.137 -5.616 3.039 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.638 -3.448 2.994 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.412 -4.656 1.744 1.00 0.00 H new ATOM 777 N TYR A 59 -8.367 -5.628 2.485 1.00 0.00 N ATOM 778 CA TYR A 59 -9.391 -6.643 2.846 1.00 0.00 C ATOM 779 C TYR A 59 -10.777 -6.003 2.806 1.00 0.00 C ATOM 780 O TYR A 59 -10.932 -4.809 2.973 1.00 0.00 O ATOM 781 CB TYR A 59 -9.152 -7.170 4.264 1.00 0.00 C ATOM 782 CG TYR A 59 -7.717 -6.957 4.678 1.00 0.00 C ATOM 783 CD1 TYR A 59 -6.727 -7.857 4.275 1.00 0.00 C ATOM 784 CD2 TYR A 59 -7.382 -5.860 5.478 1.00 0.00 C ATOM 785 CE1 TYR A 59 -5.400 -7.659 4.671 1.00 0.00 C ATOM 786 CE2 TYR A 59 -6.059 -5.661 5.877 1.00 0.00 C ATOM 787 CZ TYR A 59 -5.064 -6.561 5.474 1.00 0.00 C ATOM 788 OH TYR A 59 -3.757 -6.367 5.868 1.00 0.00 O ATOM 0 H TYR A 59 -8.541 -4.692 2.850 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.323 -7.465 2.134 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.816 -6.662 4.963 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.395 -8.232 4.308 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.986 -8.705 3.658 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.149 -5.165 5.788 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.634 -8.353 4.358 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.803 -4.814 6.496 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.698 -5.559 6.419 1.00 0.00 H new ATOM 798 N GLN A 60 -11.785 -6.802 2.631 1.00 0.00 N ATOM 799 CA GLN A 60 -13.175 -6.285 2.625 1.00 0.00 C ATOM 800 C GLN A 60 -13.714 -6.466 4.037 1.00 0.00 C ATOM 801 O GLN A 60 -14.816 -6.927 4.252 1.00 0.00 O ATOM 802 CB GLN A 60 -14.025 -7.088 1.637 1.00 0.00 C ATOM 803 CG GLN A 60 -13.166 -7.506 0.443 1.00 0.00 C ATOM 804 CD GLN A 60 -14.029 -8.265 -0.567 1.00 0.00 C ATOM 805 OE1 GLN A 60 -14.002 -7.972 -1.746 1.00 0.00 O ATOM 806 NE2 GLN A 60 -14.799 -9.232 -0.153 1.00 0.00 N ATOM 0 H GLN A 60 -11.703 -7.809 2.489 1.00 0.00 H new ATOM 0 HA GLN A 60 -13.204 -5.238 2.323 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -14.436 -7.970 2.128 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -14.870 -6.489 1.298 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.726 -6.627 -0.027 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.341 -8.135 0.778 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.822 -9.478 0.837 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.379 -9.743 -0.819 1.00 0.00 H new ATOM 815 N VAL A 61 -12.904 -6.131 5.001 1.00 0.00 N ATOM 816 CA VAL A 61 -13.304 -6.300 6.422 1.00 0.00 C ATOM 817 C VAL A 61 -13.954 -5.016 6.939 1.00 0.00 C ATOM 818 O VAL A 61 -13.643 -3.927 6.499 1.00 0.00 O ATOM 819 CB VAL A 61 -12.050 -6.613 7.242 1.00 0.00 C ATOM 820 CG1 VAL A 61 -10.994 -5.534 6.992 1.00 0.00 C ATOM 821 CG2 VAL A 61 -12.400 -6.647 8.729 1.00 0.00 C ATOM 0 H VAL A 61 -11.971 -5.743 4.862 1.00 0.00 H new ATOM 0 HA VAL A 61 -14.024 -7.113 6.512 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.658 -7.585 6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.101 -5.757 7.576 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.739 -5.513 5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -11.389 -4.563 7.289 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.504 -6.870 9.309 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.796 -5.678 9.032 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.150 -7.417 8.909 1.00 0.00 H new ATOM 831 N GLU A 62 -14.872 -5.142 7.858 1.00 0.00 N ATOM 832 CA GLU A 62 -15.566 -3.938 8.396 1.00 0.00 C ATOM 833 C GLU A 62 -14.700 -3.252 9.453 1.00 0.00 C ATOM 834 O GLU A 62 -14.698 -3.626 10.609 1.00 0.00 O ATOM 835 CB GLU A 62 -16.895 -4.357 9.025 1.00 0.00 C ATOM 836 CG GLU A 62 -17.818 -3.140 9.118 1.00 0.00 C ATOM 837 CD GLU A 62 -19.275 -3.602 9.164 1.00 0.00 C ATOM 838 OE1 GLU A 62 -19.760 -4.066 8.146 1.00 0.00 O ATOM 839 OE2 GLU A 62 -19.881 -3.483 10.216 1.00 0.00 O ATOM 0 H GLU A 62 -15.172 -6.030 8.261 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.745 -3.240 7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.364 -5.138 8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.725 -4.775 10.017 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.582 -2.560 10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.661 -2.485 8.261 1.00 0.00 H new ATOM 846 N LEU A 63 -13.980 -2.236 9.067 1.00 0.00 N ATOM 847 CA LEU A 63 -13.130 -1.504 10.045 1.00 0.00 C ATOM 848 C LEU A 63 -13.476 -0.016 9.965 1.00 0.00 C ATOM 849 O LEU A 63 -12.851 0.729 9.236 1.00 0.00 O ATOM 850 CB LEU A 63 -11.652 -1.711 9.707 1.00 0.00 C ATOM 851 CG LEU A 63 -10.798 -1.349 10.923 1.00 0.00 C ATOM 852 CD1 LEU A 63 -10.347 -2.628 11.631 1.00 0.00 C ATOM 853 CD2 LEU A 63 -9.568 -0.564 10.466 1.00 0.00 C ATOM 0 H LEU A 63 -13.944 -1.880 8.112 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.313 -1.878 11.052 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.475 -2.747 9.420 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.372 -1.092 8.855 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.386 -0.740 11.610 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.738 -2.369 12.497 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.221 -3.191 11.957 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.759 -3.236 10.944 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.959 -0.306 11.332 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.982 -1.174 9.779 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.886 0.348 9.961 1.00 0.00 H new ATOM 865 N PRO A 64 -14.482 0.367 10.709 1.00 0.00 N ATOM 866 CA PRO A 64 -14.966 1.758 10.738 1.00 0.00 C ATOM 867 C PRO A 64 -14.048 2.640 11.587 1.00 0.00 C ATOM 868 O PRO A 64 -13.107 2.171 12.198 1.00 0.00 O ATOM 869 CB PRO A 64 -16.354 1.640 11.375 1.00 0.00 C ATOM 870 CG PRO A 64 -16.356 0.318 12.178 1.00 0.00 C ATOM 871 CD PRO A 64 -15.227 -0.552 11.594 1.00 0.00 C ATOM 0 HA PRO A 64 -14.989 2.220 9.751 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.556 2.490 12.027 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.132 1.632 10.612 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.190 0.508 13.238 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.318 -0.187 12.092 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.587 -0.954 12.380 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -15.625 -1.402 11.041 1.00 0.00 H new ATOM 879 N LEU A 65 -14.316 3.917 11.625 1.00 0.00 N ATOM 880 CA LEU A 65 -13.464 4.836 12.428 1.00 0.00 C ATOM 881 C LEU A 65 -13.647 4.526 13.913 1.00 0.00 C ATOM 882 O LEU A 65 -12.698 4.501 14.669 1.00 0.00 O ATOM 883 CB LEU A 65 -13.878 6.287 12.153 1.00 0.00 C ATOM 884 CG LEU A 65 -13.118 6.835 10.937 1.00 0.00 C ATOM 885 CD1 LEU A 65 -11.702 7.240 11.349 1.00 0.00 C ATOM 886 CD2 LEU A 65 -13.033 5.766 9.848 1.00 0.00 C ATOM 0 H LEU A 65 -15.090 4.363 11.133 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.418 4.699 12.153 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.952 6.338 11.973 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.672 6.904 13.028 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.652 7.704 10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.168 7.628 10.482 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.753 8.010 12.118 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.174 6.370 11.741 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.492 6.164 8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.508 4.893 10.235 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.039 5.478 9.542 1.00 0.00 H new ATOM 898 N LYS A 66 -14.859 4.286 14.338 1.00 0.00 N ATOM 899 CA LYS A 66 -15.089 3.973 15.776 1.00 0.00 C ATOM 900 C LYS A 66 -14.272 2.741 16.155 1.00 0.00 C ATOM 901 O LYS A 66 -13.845 2.593 17.280 1.00 0.00 O ATOM 902 CB LYS A 66 -16.576 3.705 16.019 1.00 0.00 C ATOM 903 CG LYS A 66 -17.271 5.009 16.420 1.00 0.00 C ATOM 904 CD LYS A 66 -18.421 5.295 15.453 1.00 0.00 C ATOM 905 CE LYS A 66 -19.392 4.112 15.448 1.00 0.00 C ATOM 906 NZ LYS A 66 -20.549 4.414 16.338 1.00 0.00 N ATOM 0 H LYS A 66 -15.695 4.293 13.754 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.780 4.820 16.388 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.035 3.298 15.118 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.698 2.959 16.804 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.650 4.933 17.439 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.557 5.833 16.406 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.942 6.205 15.750 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.032 5.464 14.449 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.741 3.919 14.434 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.884 3.210 15.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.209 3.610 16.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.208 4.578 17.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.038 5.265 15.994 1.00 0.00 H new ATOM 920 N VAL A 67 -14.030 1.865 15.218 1.00 0.00 N ATOM 921 CA VAL A 67 -13.210 0.657 15.517 1.00 0.00 C ATOM 922 C VAL A 67 -11.753 1.097 15.563 1.00 0.00 C ATOM 923 O VAL A 67 -10.964 0.598 16.336 1.00 0.00 O ATOM 924 CB VAL A 67 -13.420 -0.386 14.412 1.00 0.00 C ATOM 925 CG1 VAL A 67 -12.229 -1.347 14.352 1.00 0.00 C ATOM 926 CG2 VAL A 67 -14.694 -1.181 14.700 1.00 0.00 C ATOM 0 H VAL A 67 -14.365 1.934 14.257 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.498 0.209 16.468 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.510 0.128 13.455 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.393 -2.081 13.563 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.319 -0.786 14.142 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.126 -1.859 15.309 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.845 -1.923 13.916 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.599 -1.684 15.662 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.547 -0.503 14.728 1.00 0.00 H new ATOM 936 N LEU A 68 -11.402 2.052 14.750 1.00 0.00 N ATOM 937 CA LEU A 68 -10.008 2.557 14.763 1.00 0.00 C ATOM 938 C LEU A 68 -9.803 3.318 16.072 1.00 0.00 C ATOM 939 O LEU A 68 -8.698 3.497 16.536 1.00 0.00 O ATOM 940 CB LEU A 68 -9.793 3.492 13.569 1.00 0.00 C ATOM 941 CG LEU A 68 -8.313 3.497 13.180 1.00 0.00 C ATOM 942 CD1 LEU A 68 -8.114 2.669 11.912 1.00 0.00 C ATOM 943 CD2 LEU A 68 -7.862 4.933 12.912 1.00 0.00 C ATOM 0 H LEU A 68 -12.022 2.503 14.078 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.296 1.735 14.690 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.400 3.165 12.725 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.116 4.502 13.822 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.726 3.070 13.994 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.059 2.674 11.636 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.437 1.644 12.092 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.703 3.098 11.101 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.808 4.938 12.635 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.453 5.354 12.099 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.003 5.533 13.811 1.00 0.00 H new ATOM 955 N PHE A 69 -10.882 3.752 16.677 1.00 0.00 N ATOM 956 CA PHE A 69 -10.781 4.488 17.969 1.00 0.00 C ATOM 957 C PHE A 69 -10.781 3.479 19.119 1.00 0.00 C ATOM 958 O PHE A 69 -10.129 3.665 20.128 1.00 0.00 O ATOM 959 CB PHE A 69 -11.977 5.427 18.124 1.00 0.00 C ATOM 960 CG PHE A 69 -11.684 6.740 17.437 1.00 0.00 C ATOM 961 CD1 PHE A 69 -10.837 7.674 18.045 1.00 0.00 C ATOM 962 CD2 PHE A 69 -12.262 7.023 16.194 1.00 0.00 C ATOM 963 CE1 PHE A 69 -10.567 8.892 17.409 1.00 0.00 C ATOM 964 CE2 PHE A 69 -11.992 8.242 15.558 1.00 0.00 C ATOM 965 CZ PHE A 69 -11.144 9.175 16.166 1.00 0.00 C ATOM 0 H PHE A 69 -11.832 3.626 16.327 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.860 5.072 17.984 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.868 4.971 17.693 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -12.184 5.596 19.181 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.392 7.455 19.004 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.916 6.302 15.725 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.914 9.613 17.878 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.438 8.462 14.599 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.935 10.114 15.675 1.00 0.00 H new ATOM 975 N ALA A 70 -11.509 2.406 18.966 1.00 0.00 N ATOM 976 CA ALA A 70 -11.564 1.367 20.032 1.00 0.00 C ATOM 977 C ALA A 70 -10.244 0.611 20.046 1.00 0.00 C ATOM 978 O ALA A 70 -9.824 0.068 21.048 1.00 0.00 O ATOM 979 CB ALA A 70 -12.686 0.371 19.718 1.00 0.00 C ATOM 0 H ALA A 70 -12.073 2.204 18.140 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.747 1.842 20.996 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.726 -0.389 20.498 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.639 0.898 19.675 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.492 -0.105 18.757 1.00 0.00 H new ATOM 985 N GLN A 71 -9.612 0.548 18.916 1.00 0.00 N ATOM 986 CA GLN A 71 -8.334 -0.198 18.799 1.00 0.00 C ATOM 987 C GLN A 71 -7.451 0.529 17.785 1.00 0.00 C ATOM 988 O GLN A 71 -7.179 0.015 16.721 1.00 0.00 O ATOM 989 CB GLN A 71 -8.628 -1.630 18.306 1.00 0.00 C ATOM 990 CG GLN A 71 -10.141 -1.811 18.085 1.00 0.00 C ATOM 991 CD GLN A 71 -10.505 -3.291 18.087 1.00 0.00 C ATOM 992 OE1 GLN A 71 -9.647 -4.147 18.001 1.00 0.00 O ATOM 993 NE2 GLN A 71 -11.763 -3.627 18.181 1.00 0.00 N ATOM 0 H GLN A 71 -9.931 0.989 18.053 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.829 -0.251 19.763 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.091 -1.821 17.377 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.269 -2.356 19.036 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.694 -1.293 18.869 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.433 -1.359 17.137 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.480 -2.905 18.253 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.029 -4.612 18.182 1.00 0.00 H new ATOM 1002 N PRO A 72 -7.057 1.724 18.142 1.00 0.00 N ATOM 1003 CA PRO A 72 -6.230 2.585 17.279 1.00 0.00 C ATOM 1004 C PRO A 72 -4.755 2.169 17.269 1.00 0.00 C ATOM 1005 O PRO A 72 -3.895 2.950 17.621 1.00 0.00 O ATOM 1006 CB PRO A 72 -6.379 3.975 17.908 1.00 0.00 C ATOM 1007 CG PRO A 72 -6.811 3.751 19.375 1.00 0.00 C ATOM 1008 CD PRO A 72 -7.402 2.329 19.447 1.00 0.00 C ATOM 0 HA PRO A 72 -6.550 2.532 16.238 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.439 4.525 17.860 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.121 4.566 17.371 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.960 3.852 20.049 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.549 4.493 19.679 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.975 1.762 20.274 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.481 2.354 19.601 1.00 0.00 H new ATOM 1016 N THR A 73 -4.434 0.975 16.846 1.00 0.00 N ATOM 1017 CA THR A 73 -2.994 0.594 16.802 1.00 0.00 C ATOM 1018 C THR A 73 -2.739 -0.492 15.743 1.00 0.00 C ATOM 1019 O THR A 73 -3.652 -0.973 15.101 1.00 0.00 O ATOM 1020 CB THR A 73 -2.554 0.128 18.178 1.00 0.00 C ATOM 1021 OG1 THR A 73 -1.203 -0.281 18.115 1.00 0.00 O ATOM 1022 CG2 THR A 73 -3.437 -1.023 18.630 1.00 0.00 C ATOM 0 H THR A 73 -5.092 0.260 16.535 1.00 0.00 H new ATOM 0 HA THR A 73 -2.406 1.466 16.517 1.00 0.00 H new ATOM 0 HB THR A 73 -2.648 0.942 18.897 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.670 0.416 17.678 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.121 -1.358 19.618 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.474 -0.690 18.674 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.350 -1.848 17.923 1.00 0.00 H new ATOM 1030 N ILE A 74 -1.492 -0.865 15.543 1.00 0.00 N ATOM 1031 CA ILE A 74 -1.157 -1.898 14.507 1.00 0.00 C ATOM 1032 C ILE A 74 -1.550 -3.305 14.966 1.00 0.00 C ATOM 1033 O ILE A 74 -2.068 -4.084 14.197 1.00 0.00 O ATOM 1034 CB ILE A 74 0.347 -1.891 14.222 1.00 0.00 C ATOM 1035 CG1 ILE A 74 0.852 -0.455 14.114 1.00 0.00 C ATOM 1036 CG2 ILE A 74 0.615 -2.616 12.903 1.00 0.00 C ATOM 1037 CD1 ILE A 74 2.348 -0.472 13.802 1.00 0.00 C ATOM 0 H ILE A 74 -0.691 -0.496 16.055 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.719 -1.645 13.608 1.00 0.00 H new ATOM 0 HB ILE A 74 0.866 -2.395 15.037 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.311 0.076 13.331 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.669 0.079 15.046 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.685 -2.613 12.697 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.262 -3.645 12.975 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.089 -2.108 12.095 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.715 0.551 13.724 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.880 -0.988 14.601 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.517 -0.991 12.859 1.00 0.00 H new ATOM 1049 N LYS A 75 -1.294 -3.657 16.194 1.00 0.00 N ATOM 1050 CA LYS A 75 -1.655 -5.027 16.649 1.00 0.00 C ATOM 1051 C LYS A 75 -3.174 -5.126 16.742 1.00 0.00 C ATOM 1052 O LYS A 75 -3.780 -6.082 16.299 1.00 0.00 O ATOM 1053 CB LYS A 75 -1.038 -5.295 18.024 1.00 0.00 C ATOM 1054 CG LYS A 75 -0.883 -6.803 18.228 1.00 0.00 C ATOM 1055 CD LYS A 75 -1.278 -7.169 19.660 1.00 0.00 C ATOM 1056 CE LYS A 75 -0.332 -8.247 20.193 1.00 0.00 C ATOM 1057 NZ LYS A 75 -1.120 -9.297 20.900 1.00 0.00 N ATOM 0 H LYS A 75 -0.855 -3.062 16.896 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.276 -5.764 15.941 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.067 -4.805 18.101 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.670 -4.874 18.806 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.509 -7.343 17.518 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.147 -7.102 18.036 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.235 -6.286 20.297 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.306 -7.529 19.684 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.230 -8.691 19.371 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.395 -7.803 20.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.476 -10.029 21.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.637 -8.868 21.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.797 -9.728 20.238 1.00 0.00 H new ATOM 1071 N ALA A 76 -3.790 -4.133 17.316 1.00 0.00 N ATOM 1072 CA ALA A 76 -5.270 -4.140 17.455 1.00 0.00 C ATOM 1073 C ALA A 76 -5.926 -4.053 16.071 1.00 0.00 C ATOM 1074 O ALA A 76 -6.958 -4.645 15.835 1.00 0.00 O ATOM 1075 CB ALA A 76 -5.690 -2.950 18.316 1.00 0.00 C ATOM 0 H ALA A 76 -3.326 -3.309 17.698 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.593 -5.066 17.931 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.775 -2.945 18.425 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.227 -3.031 19.299 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.369 -2.024 17.839 1.00 0.00 H new ATOM 1081 N LEU A 77 -5.337 -3.333 15.148 1.00 0.00 N ATOM 1082 CA LEU A 77 -5.938 -3.241 13.781 1.00 0.00 C ATOM 1083 C LEU A 77 -5.718 -4.568 13.063 1.00 0.00 C ATOM 1084 O LEU A 77 -6.646 -5.259 12.698 1.00 0.00 O ATOM 1085 CB LEU A 77 -5.236 -2.137 12.977 1.00 0.00 C ATOM 1086 CG LEU A 77 -6.032 -0.825 13.004 1.00 0.00 C ATOM 1087 CD1 LEU A 77 -6.980 -0.777 11.810 1.00 0.00 C ATOM 1088 CD2 LEU A 77 -6.838 -0.706 14.298 1.00 0.00 C ATOM 0 H LEU A 77 -4.472 -2.808 15.280 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.001 -3.015 13.867 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.239 -1.967 13.385 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.107 -2.464 11.945 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.329 0.007 12.953 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.544 0.155 11.831 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.404 -0.832 10.886 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.670 -1.620 11.859 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.394 0.231 14.295 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.535 -1.541 14.371 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.160 -0.723 15.152 1.00 0.00 H new ATOM 1100 N ALA A 78 -4.482 -4.922 12.859 1.00 0.00 N ATOM 1101 CA ALA A 78 -4.174 -6.200 12.174 1.00 0.00 C ATOM 1102 C ALA A 78 -4.945 -7.321 12.859 1.00 0.00 C ATOM 1103 O ALA A 78 -5.283 -8.311 12.258 1.00 0.00 O ATOM 1104 CB ALA A 78 -2.673 -6.477 12.266 1.00 0.00 C ATOM 0 H ALA A 78 -3.668 -4.375 13.140 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.463 -6.141 11.125 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.445 -7.417 11.763 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.123 -5.666 11.788 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.379 -6.546 13.313 1.00 0.00 H new ATOM 1110 N GLN A 79 -5.233 -7.176 14.118 1.00 0.00 N ATOM 1111 CA GLN A 79 -5.993 -8.243 14.821 1.00 0.00 C ATOM 1112 C GLN A 79 -7.481 -8.069 14.507 1.00 0.00 C ATOM 1113 O GLN A 79 -8.212 -9.030 14.375 1.00 0.00 O ATOM 1114 CB GLN A 79 -5.732 -8.126 16.326 1.00 0.00 C ATOM 1115 CG GLN A 79 -6.917 -8.668 17.132 1.00 0.00 C ATOM 1116 CD GLN A 79 -7.150 -10.137 16.780 1.00 0.00 C ATOM 1117 OE1 GLN A 79 -6.713 -10.603 15.746 1.00 0.00 O ATOM 1118 NE2 GLN A 79 -7.825 -10.892 17.603 1.00 0.00 N ATOM 0 H GLN A 79 -4.978 -6.370 14.689 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.676 -9.232 14.489 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.828 -8.677 16.586 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.556 -7.083 16.588 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.720 -8.567 18.199 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.813 -8.086 16.916 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.191 -10.500 18.471 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.986 -11.874 17.379 1.00 0.00 H new ATOM 1127 N TYR A 80 -7.933 -6.854 14.363 1.00 0.00 N ATOM 1128 CA TYR A 80 -9.365 -6.640 14.028 1.00 0.00 C ATOM 1129 C TYR A 80 -9.626 -7.293 12.673 1.00 0.00 C ATOM 1130 O TYR A 80 -10.687 -7.821 12.407 1.00 0.00 O ATOM 1131 CB TYR A 80 -9.668 -5.144 13.939 1.00 0.00 C ATOM 1132 CG TYR A 80 -11.138 -4.921 14.192 1.00 0.00 C ATOM 1133 CD1 TYR A 80 -11.603 -4.741 15.500 1.00 0.00 C ATOM 1134 CD2 TYR A 80 -12.038 -4.897 13.121 1.00 0.00 C ATOM 1135 CE1 TYR A 80 -12.968 -4.537 15.736 1.00 0.00 C ATOM 1136 CE2 TYR A 80 -13.403 -4.692 13.356 1.00 0.00 C ATOM 1137 CZ TYR A 80 -13.868 -4.513 14.664 1.00 0.00 C ATOM 1138 OH TYR A 80 -15.212 -4.309 14.896 1.00 0.00 O ATOM 0 H TYR A 80 -7.375 -6.006 14.462 1.00 0.00 H new ATOM 0 HA TYR A 80 -10.001 -7.075 14.799 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.074 -4.596 14.670 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.394 -4.763 12.955 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.909 -4.759 16.327 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -11.679 -5.037 12.112 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -13.327 -4.398 16.745 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -14.097 -4.672 12.528 1.00 0.00 H new ATOM 0 HH TYR A 80 -15.696 -4.320 14.044 1.00 0.00 H new ATOM 1148 N VAL A 81 -8.636 -7.271 11.826 1.00 0.00 N ATOM 1149 CA VAL A 81 -8.765 -7.901 10.477 1.00 0.00 C ATOM 1150 C VAL A 81 -8.344 -9.358 10.591 1.00 0.00 C ATOM 1151 O VAL A 81 -9.146 -10.272 10.574 1.00 0.00 O ATOM 1152 CB VAL A 81 -7.824 -7.216 9.460 1.00 0.00 C ATOM 1153 CG1 VAL A 81 -8.649 -6.641 8.321 1.00 0.00 C ATOM 1154 CG2 VAL A 81 -7.026 -6.086 10.125 1.00 0.00 C ATOM 0 H VAL A 81 -7.731 -6.839 12.011 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.796 -7.802 10.138 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.124 -7.960 9.081 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.989 -6.157 7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.197 -7.444 7.828 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.354 -5.909 8.716 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.372 -5.620 9.388 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.714 -5.340 10.522 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.425 -6.494 10.937 1.00 0.00 H new ATOM 1164 N ALA A 82 -7.068 -9.554 10.718 1.00 0.00 N ATOM 1165 CA ALA A 82 -6.494 -10.913 10.848 1.00 0.00 C ATOM 1166 C ALA A 82 -7.396 -11.785 11.726 1.00 0.00 C ATOM 1167 O ALA A 82 -7.423 -12.993 11.597 1.00 0.00 O ATOM 1168 CB ALA A 82 -5.117 -10.765 11.490 1.00 0.00 C ATOM 0 H ALA A 82 -6.378 -8.803 10.738 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.414 -11.392 9.872 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.661 -11.748 11.603 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.485 -10.142 10.857 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.221 -10.299 12.470 1.00 0.00 H new ATOM 1174 N THR A 83 -8.134 -11.187 12.620 1.00 0.00 N ATOM 1175 CA THR A 83 -9.031 -11.986 13.499 1.00 0.00 C ATOM 1176 C THR A 83 -10.147 -11.091 14.039 1.00 0.00 C ATOM 1177 O THR A 83 -11.129 -10.915 13.338 1.00 0.00 O ATOM 1178 CB THR A 83 -8.216 -12.555 14.663 1.00 0.00 C ATOM 1179 OG1 THR A 83 -6.845 -12.601 14.293 1.00 0.00 O ATOM 1180 CG2 THR A 83 -8.707 -13.965 14.990 1.00 0.00 C ATOM 0 H THR A 83 -8.154 -10.180 12.779 1.00 0.00 H new ATOM 0 HA THR A 83 -9.472 -12.804 12.929 1.00 0.00 H new ATOM 0 HB THR A 83 -8.337 -11.921 15.541 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.417 -11.748 14.517 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.126 -14.369 15.819 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.760 -13.928 15.269 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.585 -14.605 14.116 1.00 0.00 H new