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 Single : A 17 SER OG : rot -170:sc= -1.59! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 67:sc= 1.07 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot -164:sc= 0.00921 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -7.31! C(o=-7.3!,f=-6.8!) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 59 TYR OH : rot -39:sc= 0.563 USER MOD Single : A 60 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.13) USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= -0.16 (180deg=-0.948) USER MOD Single : A 71 GLN : amide:sc= -0.114 K(o=-0.11,f=-0.99) USER MOD Single : A 73 THR OG1 : rot 45:sc= -7.67! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc=-0.00832 K(o=-0.0083,f=-0.79) USER MOD Single : A 80 TYR OH : rot 30:sc= -0.228 USER MOD Single : A 83 THR OG1 : rot -68:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 90 N ALA A 14 1.397 -10.820 9.246 1.00 0.00 N ATOM 91 CA ALA A 14 1.433 -9.923 8.066 1.00 0.00 C ATOM 92 C ALA A 14 0.322 -8.889 8.185 1.00 0.00 C ATOM 93 O ALA A 14 0.457 -7.776 7.722 1.00 0.00 O ATOM 94 CB ALA A 14 1.262 -10.718 6.780 1.00 0.00 C ATOM 0 HA ALA A 14 2.401 -9.422 8.034 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.291 -10.040 5.927 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.068 -11.447 6.693 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.304 -11.237 6.798 1.00 0.00 H new ATOM 100 N VAL A 15 -0.769 -9.219 8.821 1.00 0.00 N ATOM 101 CA VAL A 15 -1.839 -8.202 8.969 1.00 0.00 C ATOM 102 C VAL A 15 -1.184 -6.982 9.600 1.00 0.00 C ATOM 103 O VAL A 15 -1.463 -5.849 9.251 1.00 0.00 O ATOM 104 CB VAL A 15 -2.962 -8.730 9.853 1.00 0.00 C ATOM 105 CG1 VAL A 15 -3.930 -9.534 8.984 1.00 0.00 C ATOM 106 CG2 VAL A 15 -2.378 -9.633 10.936 1.00 0.00 C ATOM 0 H VAL A 15 -0.961 -10.131 9.236 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.285 -7.954 8.006 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.486 -7.900 10.326 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.740 -9.919 9.603 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.342 -8.890 8.207 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.399 -10.366 8.522 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.182 -10.010 11.568 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.859 -10.471 10.470 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.675 -9.064 11.544 1.00 0.00 H new ATOM 116 N GLU A 16 -0.258 -7.225 10.489 1.00 0.00 N ATOM 117 CA GLU A 16 0.489 -6.111 11.115 1.00 0.00 C ATOM 118 C GLU A 16 1.525 -5.660 10.092 1.00 0.00 C ATOM 119 O GLU A 16 1.814 -4.491 9.952 1.00 0.00 O ATOM 120 CB GLU A 16 1.188 -6.596 12.389 1.00 0.00 C ATOM 121 CG GLU A 16 0.375 -7.729 13.024 1.00 0.00 C ATOM 122 CD GLU A 16 0.871 -7.983 14.447 1.00 0.00 C ATOM 123 OE1 GLU A 16 1.229 -7.023 15.108 1.00 0.00 O ATOM 124 OE2 GLU A 16 0.886 -9.135 14.851 1.00 0.00 O ATOM 0 H GLU A 16 0.010 -8.156 10.806 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.178 -5.294 11.392 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.194 -6.945 12.154 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.293 -5.771 13.094 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.683 -7.467 13.039 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.470 -8.637 12.428 1.00 0.00 H new ATOM 131 N SER A 17 2.070 -6.596 9.355 1.00 0.00 N ATOM 132 CA SER A 17 3.067 -6.226 8.314 1.00 0.00 C ATOM 133 C SER A 17 2.429 -5.210 7.364 1.00 0.00 C ATOM 134 O SER A 17 2.993 -4.173 7.065 1.00 0.00 O ATOM 135 CB SER A 17 3.486 -7.457 7.515 1.00 0.00 C ATOM 136 OG SER A 17 4.131 -8.382 8.380 1.00 0.00 O ATOM 0 H SER A 17 1.867 -7.593 9.431 1.00 0.00 H new ATOM 0 HA SER A 17 3.948 -5.802 8.796 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.613 -7.920 7.054 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.158 -7.169 6.706 1.00 0.00 H new ATOM 0 HG SER A 17 4.539 -9.097 7.848 1.00 0.00 H new ATOM 142 N LYS A 18 1.247 -5.507 6.892 1.00 0.00 N ATOM 143 CA LYS A 18 0.556 -4.574 5.962 1.00 0.00 C ATOM 144 C LYS A 18 0.178 -3.299 6.713 1.00 0.00 C ATOM 145 O LYS A 18 0.593 -2.213 6.359 1.00 0.00 O ATOM 146 CB LYS A 18 -0.710 -5.241 5.417 1.00 0.00 C ATOM 147 CG LYS A 18 -1.386 -4.306 4.413 1.00 0.00 C ATOM 148 CD LYS A 18 -0.495 -4.158 3.181 1.00 0.00 C ATOM 149 CE LYS A 18 -1.343 -4.307 1.916 1.00 0.00 C ATOM 150 NZ LYS A 18 -0.476 -4.754 0.788 1.00 0.00 N ATOM 0 H LYS A 18 0.731 -6.359 7.113 1.00 0.00 H new ATOM 0 HA LYS A 18 1.220 -4.326 5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.458 -6.187 4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.394 -5.470 6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.359 -4.704 4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.562 -3.331 4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.004 -3.185 3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.291 -4.913 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.142 -5.029 2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.818 -3.358 1.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.051 -4.856 -0.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.271 -4.049 0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.043 -5.669 1.025 1.00 0.00 H new ATOM 164 N LEU A 19 -0.610 -3.419 7.746 1.00 0.00 N ATOM 165 CA LEU A 19 -1.012 -2.206 8.512 1.00 0.00 C ATOM 166 C LEU A 19 0.238 -1.444 8.947 1.00 0.00 C ATOM 167 O LEU A 19 0.216 -0.240 9.113 1.00 0.00 O ATOM 168 CB LEU A 19 -1.826 -2.614 9.743 1.00 0.00 C ATOM 169 CG LEU A 19 -3.319 -2.491 9.431 1.00 0.00 C ATOM 170 CD1 LEU A 19 -4.036 -3.774 9.852 1.00 0.00 C ATOM 171 CD2 LEU A 19 -3.905 -1.304 10.200 1.00 0.00 C ATOM 0 H LEU A 19 -0.991 -4.300 8.091 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.625 -1.565 7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.586 -3.639 10.028 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.567 -1.979 10.590 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.454 -2.334 8.361 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.099 -3.686 9.630 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.620 -4.620 9.305 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.901 -3.932 10.922 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.969 -1.216 9.978 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.769 -1.461 11.270 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.395 -0.389 9.900 1.00 0.00 H new ATOM 183 N ALA A 20 1.336 -2.127 9.114 1.00 0.00 N ATOM 184 CA ALA A 20 2.585 -1.427 9.514 1.00 0.00 C ATOM 185 C ALA A 20 3.029 -0.548 8.346 1.00 0.00 C ATOM 186 O ALA A 20 3.257 0.638 8.494 1.00 0.00 O ATOM 187 CB ALA A 20 3.674 -2.455 9.830 1.00 0.00 C ATOM 0 H ALA A 20 1.421 -3.136 8.991 1.00 0.00 H new ATOM 0 HA ALA A 20 2.411 -0.818 10.401 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.588 -1.938 10.123 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.343 -3.097 10.646 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.868 -3.063 8.946 1.00 0.00 H new ATOM 193 N GLU A 21 3.137 -1.124 7.178 1.00 0.00 N ATOM 194 CA GLU A 21 3.547 -0.322 5.994 1.00 0.00 C ATOM 195 C GLU A 21 2.570 0.845 5.822 1.00 0.00 C ATOM 196 O GLU A 21 2.964 1.992 5.785 1.00 0.00 O ATOM 197 CB GLU A 21 3.524 -1.204 4.744 1.00 0.00 C ATOM 198 CG GLU A 21 4.759 -0.915 3.890 1.00 0.00 C ATOM 199 CD GLU A 21 4.324 -0.330 2.546 1.00 0.00 C ATOM 200 OE1 GLU A 21 3.487 -0.940 1.901 1.00 0.00 O ATOM 201 OE2 GLU A 21 4.834 0.717 2.184 1.00 0.00 O ATOM 0 H GLU A 21 2.959 -2.112 6.995 1.00 0.00 H new ATOM 0 HA GLU A 21 4.557 0.063 6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.504 -2.256 5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.618 -1.013 4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.416 -0.216 4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.328 -1.831 3.733 1.00 0.00 H new ATOM 208 N ILE A 22 1.297 0.564 5.726 1.00 0.00 N ATOM 209 CA ILE A 22 0.312 1.672 5.570 1.00 0.00 C ATOM 210 C ILE A 22 0.525 2.679 6.694 1.00 0.00 C ATOM 211 O ILE A 22 0.710 3.856 6.458 1.00 0.00 O ATOM 212 CB ILE A 22 -1.114 1.115 5.591 1.00 0.00 C ATOM 213 CG1 ILE A 22 -2.119 2.166 6.063 1.00 0.00 C ATOM 214 CG2 ILE A 22 -1.190 -0.072 6.513 1.00 0.00 C ATOM 215 CD1 ILE A 22 -2.271 3.250 4.999 1.00 0.00 C ATOM 0 H ILE A 22 0.900 -0.375 5.749 1.00 0.00 H new ATOM 0 HA ILE A 22 0.458 2.171 4.612 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.365 0.820 4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.084 1.698 6.259 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.783 2.608 7.001 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.208 -0.461 6.522 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.508 -0.847 6.165 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.909 0.232 7.521 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.988 3.997 5.340 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.306 3.727 4.825 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.627 2.802 4.071 1.00 0.00 H new ATOM 227 N TRP A 23 0.514 2.220 7.909 1.00 0.00 N ATOM 228 CA TRP A 23 0.729 3.137 9.060 1.00 0.00 C ATOM 229 C TRP A 23 1.827 4.144 8.719 1.00 0.00 C ATOM 230 O TRP A 23 1.628 5.338 8.771 1.00 0.00 O ATOM 231 CB TRP A 23 1.198 2.328 10.266 1.00 0.00 C ATOM 232 CG TRP A 23 0.061 2.061 11.188 1.00 0.00 C ATOM 233 CD1 TRP A 23 -1.099 1.462 10.843 1.00 0.00 C ATOM 234 CD2 TRP A 23 -0.034 2.362 12.607 1.00 0.00 C ATOM 235 NE1 TRP A 23 -1.903 1.376 11.961 1.00 0.00 N ATOM 236 CE2 TRP A 23 -1.288 1.917 13.076 1.00 0.00 C ATOM 237 CE3 TRP A 23 0.841 2.971 13.523 1.00 0.00 C ATOM 238 CZ2 TRP A 23 -1.665 2.071 14.409 1.00 0.00 C ATOM 239 CZ3 TRP A 23 0.467 3.129 14.867 1.00 0.00 C ATOM 240 CH2 TRP A 23 -0.785 2.680 15.309 1.00 0.00 C ATOM 0 H TRP A 23 0.364 1.242 8.158 1.00 0.00 H new ATOM 0 HA TRP A 23 -0.205 3.654 9.279 1.00 0.00 H new ATOM 0 HB2 TRP A 23 1.633 1.386 9.933 1.00 0.00 H new ATOM 0 HB3 TRP A 23 1.982 2.872 10.793 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -1.355 1.109 9.855 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.836 0.964 11.965 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.808 3.320 13.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -2.630 1.722 14.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.147 3.598 15.563 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.070 2.804 16.343 1.00 0.00 H new ATOM 251 N GLU A 24 2.994 3.661 8.390 1.00 0.00 N ATOM 252 CA GLU A 24 4.119 4.582 8.065 1.00 0.00 C ATOM 253 C GLU A 24 3.750 5.440 6.840 1.00 0.00 C ATOM 254 O GLU A 24 3.893 6.647 6.847 1.00 0.00 O ATOM 255 CB GLU A 24 5.390 3.743 7.794 1.00 0.00 C ATOM 256 CG GLU A 24 6.061 4.144 6.470 1.00 0.00 C ATOM 257 CD GLU A 24 7.465 3.540 6.404 1.00 0.00 C ATOM 258 OE1 GLU A 24 7.616 2.395 6.797 1.00 0.00 O ATOM 259 OE2 GLU A 24 8.366 4.233 5.960 1.00 0.00 O ATOM 0 H GLU A 24 3.217 2.667 8.332 1.00 0.00 H new ATOM 0 HA GLU A 24 4.311 5.253 8.902 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.095 3.875 8.615 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.129 2.685 7.765 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.464 3.795 5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.117 5.230 6.393 1.00 0.00 H new ATOM 266 N ARG A 25 3.294 4.814 5.790 1.00 0.00 N ATOM 267 CA ARG A 25 2.932 5.564 4.549 1.00 0.00 C ATOM 268 C ARG A 25 1.970 6.717 4.873 1.00 0.00 C ATOM 269 O ARG A 25 2.152 7.830 4.420 1.00 0.00 O ATOM 270 CB ARG A 25 2.273 4.584 3.562 1.00 0.00 C ATOM 271 CG ARG A 25 1.300 5.322 2.634 1.00 0.00 C ATOM 272 CD ARG A 25 1.201 4.583 1.301 1.00 0.00 C ATOM 273 NE ARG A 25 1.940 5.345 0.258 1.00 0.00 N ATOM 274 CZ ARG A 25 1.815 5.021 -1.001 1.00 0.00 C ATOM 275 NH1 ARG A 25 0.667 4.595 -1.453 1.00 0.00 N ATOM 276 NH2 ARG A 25 2.836 5.121 -1.804 1.00 0.00 N ATOM 0 H ARG A 25 3.155 3.805 5.736 1.00 0.00 H new ATOM 0 HA ARG A 25 3.831 5.993 4.106 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.040 4.085 2.970 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.741 3.808 4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.316 5.386 3.099 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.643 6.344 2.470 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.616 3.580 1.397 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.156 4.469 1.012 1.00 0.00 H new ATOM 0 HE ARG A 25 2.545 6.121 0.527 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.131 4.515 -0.823 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.568 4.342 -2.436 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.733 5.452 -1.449 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.738 4.868 -2.787 1.00 0.00 H new ATOM 290 N VAL A 26 0.943 6.459 5.630 1.00 0.00 N ATOM 291 CA VAL A 26 -0.035 7.550 5.950 1.00 0.00 C ATOM 292 C VAL A 26 0.436 8.346 7.159 1.00 0.00 C ATOM 293 O VAL A 26 0.469 9.561 7.149 1.00 0.00 O ATOM 294 CB VAL A 26 -1.419 6.974 6.278 1.00 0.00 C ATOM 295 CG1 VAL A 26 -2.339 7.132 5.067 1.00 0.00 C ATOM 296 CG2 VAL A 26 -1.316 5.495 6.649 1.00 0.00 C ATOM 0 H VAL A 26 0.733 5.550 6.041 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.101 8.191 5.071 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.829 7.519 7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.322 6.723 5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.436 8.189 4.819 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.916 6.597 4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.309 5.107 6.878 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.893 4.939 5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.673 5.383 7.522 1.00 0.00 H new ATOM 306 N LEU A 27 0.771 7.667 8.209 1.00 0.00 N ATOM 307 CA LEU A 27 1.211 8.365 9.445 1.00 0.00 C ATOM 308 C LEU A 27 2.573 9.031 9.214 1.00 0.00 C ATOM 309 O LEU A 27 3.057 9.778 10.040 1.00 0.00 O ATOM 310 CB LEU A 27 1.280 7.351 10.591 1.00 0.00 C ATOM 311 CG LEU A 27 -0.051 6.585 10.660 1.00 0.00 C ATOM 312 CD1 LEU A 27 -0.035 5.623 11.846 1.00 0.00 C ATOM 313 CD2 LEU A 27 -1.210 7.575 10.824 1.00 0.00 C ATOM 0 H LEU A 27 0.760 6.649 8.269 1.00 0.00 H new ATOM 0 HA LEU A 27 0.497 9.146 9.707 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.106 6.658 10.431 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.470 7.862 11.535 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.183 6.020 9.738 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.981 5.083 11.889 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.783 4.913 11.727 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.104 6.186 12.769 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.152 7.028 10.872 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.074 8.145 11.743 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.230 8.256 9.973 1.00 0.00 H new ATOM 325 N GLY A 28 3.181 8.788 8.082 1.00 0.00 N ATOM 326 CA GLY A 28 4.495 9.430 7.782 1.00 0.00 C ATOM 327 C GLY A 28 5.540 9.018 8.817 1.00 0.00 C ATOM 328 O GLY A 28 6.105 9.846 9.505 1.00 0.00 O ATOM 0 H GLY A 28 2.824 8.172 7.352 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.828 9.141 6.785 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.385 10.514 7.780 1.00 0.00 H new ATOM 332 N VAL A 29 5.811 7.751 8.928 1.00 0.00 N ATOM 333 CA VAL A 29 6.832 7.296 9.915 1.00 0.00 C ATOM 334 C VAL A 29 7.820 6.371 9.221 1.00 0.00 C ATOM 335 O VAL A 29 7.729 6.124 8.034 1.00 0.00 O ATOM 336 CB VAL A 29 6.169 6.532 11.063 1.00 0.00 C ATOM 337 CG1 VAL A 29 6.834 6.932 12.381 1.00 0.00 C ATOM 338 CG2 VAL A 29 4.679 6.865 11.119 1.00 0.00 C ATOM 0 H VAL A 29 5.373 7.010 8.381 1.00 0.00 H new ATOM 0 HA VAL A 29 7.343 8.171 10.316 1.00 0.00 H new ATOM 0 HB VAL A 29 6.286 5.461 10.901 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.366 6.391 13.203 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.895 6.686 12.342 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.715 8.004 12.538 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.214 6.317 11.939 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.551 7.936 11.279 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.207 6.580 10.179 1.00 0.00 H new ATOM 348 N SER A 30 8.764 5.848 9.949 1.00 0.00 N ATOM 349 CA SER A 30 9.745 4.933 9.319 1.00 0.00 C ATOM 350 C SER A 30 10.211 3.897 10.343 1.00 0.00 C ATOM 351 O SER A 30 11.371 3.543 10.408 1.00 0.00 O ATOM 352 CB SER A 30 10.942 5.740 8.816 1.00 0.00 C ATOM 353 OG SER A 30 11.973 5.713 9.796 1.00 0.00 O ATOM 0 H SER A 30 8.896 6.015 10.947 1.00 0.00 H new ATOM 0 HA SER A 30 9.278 4.419 8.479 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.307 5.324 7.877 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.643 6.769 8.615 1.00 0.00 H new ATOM 0 HG SER A 30 12.322 4.801 9.878 1.00 0.00 H new ATOM 359 N GLY A 31 9.307 3.412 11.145 1.00 0.00 N ATOM 360 CA GLY A 31 9.675 2.400 12.174 1.00 0.00 C ATOM 361 C GLY A 31 8.554 2.327 13.210 1.00 0.00 C ATOM 362 O GLY A 31 8.757 2.580 14.381 1.00 0.00 O ATOM 0 H GLY A 31 8.321 3.675 11.132 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.825 1.425 11.709 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.615 2.672 12.653 1.00 0.00 H new ATOM 366 N ILE A 32 7.369 1.993 12.782 1.00 0.00 N ATOM 367 CA ILE A 32 6.225 1.913 13.729 1.00 0.00 C ATOM 368 C ILE A 32 6.208 0.533 14.391 1.00 0.00 C ATOM 369 O ILE A 32 6.409 -0.478 13.750 1.00 0.00 O ATOM 370 CB ILE A 32 4.928 2.150 12.954 1.00 0.00 C ATOM 371 CG1 ILE A 32 5.002 3.502 12.253 1.00 0.00 C ATOM 372 CG2 ILE A 32 3.743 2.156 13.914 1.00 0.00 C ATOM 373 CD1 ILE A 32 4.749 3.305 10.762 1.00 0.00 C ATOM 0 H ILE A 32 7.144 1.771 11.812 1.00 0.00 H new ATOM 0 HA ILE A 32 6.323 2.671 14.506 1.00 0.00 H new ATOM 0 HB ILE A 32 4.799 1.353 12.221 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.263 4.184 12.673 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.981 3.955 12.412 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.823 2.325 13.355 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.685 1.196 14.426 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.873 2.951 14.648 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.800 4.268 10.254 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.505 2.637 10.350 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.761 2.870 10.615 1.00 0.00 H new ATOM 385 N GLY A 33 5.985 0.489 15.676 1.00 0.00 N ATOM 386 CA GLY A 33 5.972 -0.820 16.392 1.00 0.00 C ATOM 387 C GLY A 33 4.733 -1.635 15.988 1.00 0.00 C ATOM 388 O GLY A 33 4.542 -1.945 14.829 1.00 0.00 O ATOM 0 H GLY A 33 5.811 1.305 16.263 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.877 -1.380 16.157 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.971 -0.653 17.469 1.00 0.00 H new ATOM 392 N ILE A 34 3.890 -1.993 16.927 1.00 0.00 N ATOM 393 CA ILE A 34 2.678 -2.792 16.576 1.00 0.00 C ATOM 394 C ILE A 34 1.474 -2.273 17.356 1.00 0.00 C ATOM 395 O ILE A 34 0.514 -1.798 16.783 1.00 0.00 O ATOM 396 CB ILE A 34 2.911 -4.264 16.919 1.00 0.00 C ATOM 397 CG1 ILE A 34 3.840 -4.377 18.131 1.00 0.00 C ATOM 398 CG2 ILE A 34 3.558 -4.960 15.725 1.00 0.00 C ATOM 399 CD1 ILE A 34 3.274 -5.406 19.111 1.00 0.00 C ATOM 0 H ILE A 34 3.990 -1.767 17.917 1.00 0.00 H new ATOM 0 HA ILE A 34 2.486 -2.696 15.507 1.00 0.00 H new ATOM 0 HB ILE A 34 1.956 -4.734 17.153 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.839 -4.674 17.811 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.937 -3.408 18.620 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.727 -6.010 15.964 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.899 -4.886 14.860 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.511 -4.482 15.498 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.934 -5.488 19.974 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.284 -5.089 19.440 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.200 -6.375 18.618 1.00 0.00 H new ATOM 411 N LEU A 35 1.508 -2.335 18.659 1.00 0.00 N ATOM 412 CA LEU A 35 0.352 -1.820 19.438 1.00 0.00 C ATOM 413 C LEU A 35 0.589 -0.343 19.739 1.00 0.00 C ATOM 414 O LEU A 35 0.256 0.160 20.793 1.00 0.00 O ATOM 415 CB LEU A 35 0.187 -2.605 20.737 1.00 0.00 C ATOM 416 CG LEU A 35 -1.282 -2.995 20.892 1.00 0.00 C ATOM 417 CD1 LEU A 35 -1.393 -4.244 21.766 1.00 0.00 C ATOM 418 CD2 LEU A 35 -2.048 -1.842 21.544 1.00 0.00 C ATOM 0 H LEU A 35 2.277 -2.715 19.210 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.563 -1.939 18.857 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.815 -3.496 20.722 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.509 -2.002 21.586 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.707 -3.205 19.910 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.442 -4.520 21.875 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.849 -5.065 21.299 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.968 -4.039 22.749 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.096 -2.119 21.655 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.622 -1.631 22.525 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.972 -0.954 20.917 1.00 0.00 H new ATOM 430 N ASP A 36 1.152 0.351 18.792 1.00 0.00 N ATOM 431 CA ASP A 36 1.413 1.802 18.959 1.00 0.00 C ATOM 432 C ASP A 36 0.097 2.529 19.222 1.00 0.00 C ATOM 433 O ASP A 36 -0.927 1.927 19.474 1.00 0.00 O ATOM 434 CB ASP A 36 2.010 2.347 17.658 1.00 0.00 C ATOM 435 CG ASP A 36 3.523 2.509 17.816 1.00 0.00 C ATOM 436 OD1 ASP A 36 4.209 1.500 17.809 1.00 0.00 O ATOM 437 OD2 ASP A 36 3.968 3.636 17.944 1.00 0.00 O ATOM 0 H ASP A 36 1.447 -0.035 17.895 1.00 0.00 H new ATOM 0 HA ASP A 36 2.098 1.956 19.793 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.791 1.669 16.833 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.555 3.306 17.411 1.00 0.00 H new ATOM 442 N ASN A 37 0.122 3.824 19.133 1.00 0.00 N ATOM 443 CA ASN A 37 -1.112 4.622 19.337 1.00 0.00 C ATOM 444 C ASN A 37 -1.210 5.613 18.181 1.00 0.00 C ATOM 445 O ASN A 37 -0.402 6.508 18.066 1.00 0.00 O ATOM 446 CB ASN A 37 -1.029 5.374 20.669 1.00 0.00 C ATOM 447 CG ASN A 37 -2.075 4.819 21.638 1.00 0.00 C ATOM 448 OD1 ASN A 37 -2.981 5.522 22.039 1.00 0.00 O ATOM 449 ND2 ASN A 37 -1.988 3.579 22.037 1.00 0.00 N ATOM 0 H ASN A 37 0.957 4.372 18.925 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.991 3.978 19.364 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.031 5.269 21.096 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.197 6.439 20.508 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.680 3.202 22.684 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.228 2.987 21.701 1.00 0.00 H new ATOM 456 N PHE A 38 -2.164 5.435 17.304 1.00 0.00 N ATOM 457 CA PHE A 38 -2.283 6.361 16.121 1.00 0.00 C ATOM 458 C PHE A 38 -1.936 7.793 16.534 1.00 0.00 C ATOM 459 O PHE A 38 -1.450 8.572 15.738 1.00 0.00 O ATOM 460 CB PHE A 38 -3.717 6.334 15.548 1.00 0.00 C ATOM 461 CG PHE A 38 -3.968 5.041 14.797 1.00 0.00 C ATOM 462 CD1 PHE A 38 -3.291 4.761 13.605 1.00 0.00 C ATOM 463 CD2 PHE A 38 -4.867 4.110 15.314 1.00 0.00 C ATOM 464 CE1 PHE A 38 -3.510 3.549 12.943 1.00 0.00 C ATOM 465 CE2 PHE A 38 -5.090 2.900 14.653 1.00 0.00 C ATOM 466 CZ PHE A 38 -4.410 2.615 13.472 1.00 0.00 C ATOM 0 H PHE A 38 -2.865 4.695 17.349 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.586 6.021 15.355 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.440 6.437 16.357 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.864 7.183 14.880 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.599 5.482 13.196 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.395 4.325 16.231 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.985 3.333 12.024 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.790 2.185 15.058 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.576 1.676 12.965 1.00 0.00 H new ATOM 563 N SER A 45 -6.902 12.721 12.704 1.00 0.00 N ATOM 564 CA SER A 45 -7.202 11.262 12.691 1.00 0.00 C ATOM 565 C SER A 45 -7.361 10.783 11.248 1.00 0.00 C ATOM 566 O SER A 45 -7.258 9.606 10.961 1.00 0.00 O ATOM 567 CB SER A 45 -8.495 10.999 13.462 1.00 0.00 C ATOM 568 OG SER A 45 -8.224 10.122 14.545 1.00 0.00 O ATOM 0 HA SER A 45 -6.382 10.721 13.163 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.908 11.937 13.833 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.243 10.560 12.802 1.00 0.00 H new ATOM 0 HG SER A 45 -9.065 9.749 14.882 1.00 0.00 H new ATOM 574 N LEU A 46 -7.611 11.681 10.335 1.00 0.00 N ATOM 575 CA LEU A 46 -7.775 11.269 8.914 1.00 0.00 C ATOM 576 C LEU A 46 -6.665 10.283 8.542 1.00 0.00 C ATOM 577 O LEU A 46 -6.914 9.247 7.960 1.00 0.00 O ATOM 578 CB LEU A 46 -7.697 12.500 8.007 1.00 0.00 C ATOM 579 CG LEU A 46 -9.052 12.719 7.331 1.00 0.00 C ATOM 580 CD1 LEU A 46 -9.387 11.513 6.452 1.00 0.00 C ATOM 581 CD2 LEU A 46 -10.132 12.881 8.404 1.00 0.00 C ATOM 0 H LEU A 46 -7.709 12.681 10.512 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.746 10.791 8.784 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.423 13.379 8.591 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.921 12.362 7.254 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.010 13.616 6.714 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.352 11.670 5.971 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.617 11.393 5.690 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.431 10.615 7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.099 13.037 7.926 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.172 11.982 9.019 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.895 13.740 9.032 1.00 0.00 H new ATOM 593 N LYS A 47 -5.443 10.594 8.879 1.00 0.00 N ATOM 594 CA LYS A 47 -4.324 9.669 8.547 1.00 0.00 C ATOM 595 C LYS A 47 -4.707 8.247 8.961 1.00 0.00 C ATOM 596 O LYS A 47 -4.815 7.355 8.138 1.00 0.00 O ATOM 597 CB LYS A 47 -3.062 10.102 9.297 1.00 0.00 C ATOM 598 CG LYS A 47 -1.898 10.225 8.311 1.00 0.00 C ATOM 599 CD LYS A 47 -2.091 11.467 7.439 1.00 0.00 C ATOM 600 CE LYS A 47 -1.298 11.303 6.140 1.00 0.00 C ATOM 601 NZ LYS A 47 -1.776 12.296 5.136 1.00 0.00 N ATOM 0 H LYS A 47 -5.172 11.447 9.369 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.131 9.697 7.475 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.232 11.056 9.796 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.820 9.375 10.073 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.955 10.292 8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.843 9.334 7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.149 11.609 7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.756 12.356 7.973 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.234 11.446 6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.419 10.291 5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.237 12.184 4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.787 12.139 4.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.638 13.258 5.506 1.00 0.00 H new ATOM 615 N ALA A 48 -4.922 8.023 10.228 1.00 0.00 N ATOM 616 CA ALA A 48 -5.305 6.656 10.667 1.00 0.00 C ATOM 617 C ALA A 48 -6.453 6.168 9.791 1.00 0.00 C ATOM 618 O ALA A 48 -6.411 5.077 9.257 1.00 0.00 O ATOM 619 CB ALA A 48 -5.741 6.671 12.130 1.00 0.00 C ATOM 0 H ALA A 48 -4.850 8.720 10.969 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.449 5.988 10.570 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.019 5.663 12.437 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.919 7.026 12.751 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.597 7.335 12.248 1.00 0.00 H new ATOM 625 N MET A 49 -7.477 6.966 9.610 1.00 0.00 N ATOM 626 CA MET A 49 -8.591 6.514 8.736 1.00 0.00 C ATOM 627 C MET A 49 -7.969 6.011 7.443 1.00 0.00 C ATOM 628 O MET A 49 -8.262 4.928 6.977 1.00 0.00 O ATOM 629 CB MET A 49 -9.554 7.670 8.423 1.00 0.00 C ATOM 630 CG MET A 49 -10.932 7.156 7.918 1.00 0.00 C ATOM 631 SD MET A 49 -10.898 5.381 7.499 1.00 0.00 S ATOM 632 CE MET A 49 -11.435 5.518 5.774 1.00 0.00 C ATOM 0 H MET A 49 -7.585 7.892 10.023 1.00 0.00 H new ATOM 0 HA MET A 49 -9.163 5.733 9.237 1.00 0.00 H new ATOM 0 HB2 MET A 49 -9.698 8.275 9.318 1.00 0.00 H new ATOM 0 HB3 MET A 49 -9.110 8.319 7.668 1.00 0.00 H new ATOM 0 HG2 MET A 49 -11.686 7.331 8.685 1.00 0.00 H new ATOM 0 HG3 MET A 49 -11.231 7.729 7.040 1.00 0.00 H new ATOM 0 HE1 MET A 49 -11.481 4.525 5.327 1.00 0.00 H new ATOM 0 HE2 MET A 49 -12.422 5.979 5.736 1.00 0.00 H new ATOM 0 HE3 MET A 49 -10.726 6.133 5.220 1.00 0.00 H new ATOM 642 N ALA A 50 -7.072 6.775 6.877 1.00 0.00 N ATOM 643 CA ALA A 50 -6.397 6.312 5.641 1.00 0.00 C ATOM 644 C ALA A 50 -5.933 4.887 5.901 1.00 0.00 C ATOM 645 O ALA A 50 -6.087 4.006 5.077 1.00 0.00 O ATOM 646 CB ALA A 50 -5.195 7.203 5.339 1.00 0.00 C ATOM 0 H ALA A 50 -6.783 7.692 7.218 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.072 6.355 4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.704 6.856 4.429 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.530 8.231 5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.491 7.159 6.170 1.00 0.00 H new ATOM 652 N VAL A 51 -5.402 4.645 7.074 1.00 0.00 N ATOM 653 CA VAL A 51 -4.975 3.263 7.410 1.00 0.00 C ATOM 654 C VAL A 51 -6.225 2.384 7.392 1.00 0.00 C ATOM 655 O VAL A 51 -6.287 1.375 6.710 1.00 0.00 O ATOM 656 CB VAL A 51 -4.347 3.226 8.807 1.00 0.00 C ATOM 657 CG1 VAL A 51 -3.679 1.867 9.030 1.00 0.00 C ATOM 658 CG2 VAL A 51 -3.297 4.335 8.941 1.00 0.00 C ATOM 0 H VAL A 51 -5.249 5.341 7.804 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.234 2.910 6.692 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.128 3.380 9.552 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.232 1.840 10.024 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.425 1.077 8.946 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.904 1.715 8.279 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.856 4.300 9.937 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.517 4.189 8.194 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.770 5.305 8.787 1.00 0.00 H new ATOM 668 N ALA A 52 -7.237 2.778 8.119 1.00 0.00 N ATOM 669 CA ALA A 52 -8.492 1.984 8.118 1.00 0.00 C ATOM 670 C ALA A 52 -8.857 1.698 6.665 1.00 0.00 C ATOM 671 O ALA A 52 -9.168 0.582 6.300 1.00 0.00 O ATOM 672 CB ALA A 52 -9.610 2.781 8.795 1.00 0.00 C ATOM 0 H ALA A 52 -7.246 3.610 8.709 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.358 1.051 8.666 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.529 2.194 8.792 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.326 3.005 9.823 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.773 3.712 8.253 1.00 0.00 H new ATOM 678 N ALA A 53 -8.783 2.695 5.820 1.00 0.00 N ATOM 679 CA ALA A 53 -9.085 2.464 4.384 1.00 0.00 C ATOM 680 C ALA A 53 -8.168 1.343 3.908 1.00 0.00 C ATOM 681 O ALA A 53 -8.591 0.406 3.261 1.00 0.00 O ATOM 682 CB ALA A 53 -8.805 3.737 3.582 1.00 0.00 C ATOM 0 H ALA A 53 -8.528 3.652 6.065 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.133 2.197 4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.029 3.561 2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.431 4.547 3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.755 4.011 3.689 1.00 0.00 H new ATOM 688 N GLN A 54 -6.912 1.419 4.266 1.00 0.00 N ATOM 689 CA GLN A 54 -5.960 0.346 3.882 1.00 0.00 C ATOM 690 C GLN A 54 -6.567 -0.984 4.311 1.00 0.00 C ATOM 691 O GLN A 54 -6.382 -1.998 3.676 1.00 0.00 O ATOM 692 CB GLN A 54 -4.628 0.570 4.594 1.00 0.00 C ATOM 693 CG GLN A 54 -3.505 -0.029 3.754 1.00 0.00 C ATOM 694 CD GLN A 54 -2.972 1.021 2.778 1.00 0.00 C ATOM 695 OE1 GLN A 54 -1.791 1.058 2.495 1.00 0.00 O ATOM 696 NE2 GLN A 54 -3.798 1.878 2.245 1.00 0.00 N ATOM 0 H GLN A 54 -6.508 2.182 4.809 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.781 0.350 2.807 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.457 1.636 4.745 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.647 0.108 5.581 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.701 -0.378 4.401 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.872 -0.896 3.205 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.789 1.847 2.483 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.453 2.580 1.590 1.00 0.00 H new ATOM 705 N VAL A 55 -7.314 -0.976 5.378 1.00 0.00 N ATOM 706 CA VAL A 55 -7.963 -2.235 5.834 1.00 0.00 C ATOM 707 C VAL A 55 -9.035 -2.630 4.817 1.00 0.00 C ATOM 708 O VAL A 55 -9.173 -3.782 4.459 1.00 0.00 O ATOM 709 CB VAL A 55 -8.618 -2.013 7.198 1.00 0.00 C ATOM 710 CG1 VAL A 55 -9.099 -3.353 7.756 1.00 0.00 C ATOM 711 CG2 VAL A 55 -7.599 -1.395 8.155 1.00 0.00 C ATOM 0 H VAL A 55 -7.503 -0.155 5.953 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.216 -3.025 5.920 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.469 -1.340 7.090 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.566 -3.196 8.728 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.825 -3.793 7.072 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.250 -4.027 7.866 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.064 -1.236 9.128 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.748 -2.068 8.265 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.257 -0.440 7.756 1.00 0.00 H new ATOM 721 N HIS A 56 -9.789 -1.674 4.340 1.00 0.00 N ATOM 722 CA HIS A 56 -10.848 -1.985 3.338 1.00 0.00 C ATOM 723 C HIS A 56 -10.186 -2.337 2.006 1.00 0.00 C ATOM 724 O HIS A 56 -10.591 -3.257 1.323 1.00 0.00 O ATOM 725 CB HIS A 56 -11.756 -0.762 3.160 1.00 0.00 C ATOM 726 CG HIS A 56 -12.815 -1.071 2.138 1.00 0.00 C ATOM 727 ND1 HIS A 56 -13.117 -0.204 1.100 1.00 0.00 N ATOM 728 CD2 HIS A 56 -13.649 -2.150 1.982 1.00 0.00 C ATOM 729 CE1 HIS A 56 -14.097 -0.772 0.371 1.00 0.00 C ATOM 730 NE2 HIS A 56 -14.458 -1.959 0.866 1.00 0.00 N ATOM 0 H HIS A 56 -9.716 -0.691 4.602 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.447 -2.828 3.681 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -12.219 -0.497 4.111 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.168 0.098 2.841 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.674 -3.016 2.627 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -14.537 -0.322 -0.507 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -15.173 -2.590 0.504 1.00 0.00 H new ATOM 738 N ARG A 57 -9.156 -1.626 1.634 1.00 0.00 N ATOM 739 CA ARG A 57 -8.464 -1.947 0.356 1.00 0.00 C ATOM 740 C ARG A 57 -7.699 -3.256 0.549 1.00 0.00 C ATOM 741 O ARG A 57 -7.697 -4.123 -0.303 1.00 0.00 O ATOM 742 CB ARG A 57 -7.489 -0.826 -0.007 1.00 0.00 C ATOM 743 CG ARG A 57 -8.068 -0.002 -1.157 1.00 0.00 C ATOM 744 CD ARG A 57 -8.433 1.393 -0.652 1.00 0.00 C ATOM 745 NE ARG A 57 -9.842 1.701 -1.024 1.00 0.00 N ATOM 746 CZ ARG A 57 -10.459 2.706 -0.465 1.00 0.00 C ATOM 747 NH1 ARG A 57 -10.799 2.643 0.794 1.00 0.00 N ATOM 748 NH2 ARG A 57 -10.734 3.773 -1.163 1.00 0.00 N ATOM 0 H ARG A 57 -8.767 -0.842 2.157 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.190 -2.046 -0.451 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.312 -0.188 0.859 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.525 -1.246 -0.295 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.342 0.071 -1.967 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.951 -0.496 -1.564 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.312 1.443 0.430 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.761 2.135 -1.083 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.324 1.127 -1.715 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.582 1.809 1.340 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.281 3.428 1.232 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.467 3.822 -2.146 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.216 4.558 -0.726 1.00 0.00 H new ATOM 762 N GLU A 58 -7.066 -3.411 1.680 1.00 0.00 N ATOM 763 CA GLU A 58 -6.320 -4.669 1.955 1.00 0.00 C ATOM 764 C GLU A 58 -7.319 -5.818 2.001 1.00 0.00 C ATOM 765 O GLU A 58 -7.138 -6.848 1.381 1.00 0.00 O ATOM 766 CB GLU A 58 -5.635 -4.582 3.322 1.00 0.00 C ATOM 767 CG GLU A 58 -4.437 -3.639 3.266 1.00 0.00 C ATOM 768 CD GLU A 58 -4.058 -3.248 4.697 1.00 0.00 C ATOM 769 OE1 GLU A 58 -4.527 -3.905 5.611 1.00 0.00 O ATOM 770 OE2 GLU A 58 -3.310 -2.303 4.857 1.00 0.00 O ATOM 0 H GLU A 58 -7.034 -2.717 2.427 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.572 -4.825 1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.346 -4.230 4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.309 -5.574 3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.596 -4.124 2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.681 -2.751 2.683 1.00 0.00 H new ATOM 777 N TYR A 59 -8.375 -5.645 2.749 1.00 0.00 N ATOM 778 CA TYR A 59 -9.394 -6.720 2.861 1.00 0.00 C ATOM 779 C TYR A 59 -10.786 -6.088 2.856 1.00 0.00 C ATOM 780 O TYR A 59 -10.938 -4.886 2.938 1.00 0.00 O ATOM 781 CB TYR A 59 -9.214 -7.481 4.184 1.00 0.00 C ATOM 782 CG TYR A 59 -7.837 -7.238 4.762 1.00 0.00 C ATOM 783 CD1 TYR A 59 -7.581 -6.065 5.485 1.00 0.00 C ATOM 784 CD2 TYR A 59 -6.823 -8.187 4.589 1.00 0.00 C ATOM 785 CE1 TYR A 59 -6.312 -5.843 6.033 1.00 0.00 C ATOM 786 CE2 TYR A 59 -5.554 -7.965 5.138 1.00 0.00 C ATOM 787 CZ TYR A 59 -5.299 -6.792 5.858 1.00 0.00 C ATOM 788 OH TYR A 59 -4.047 -6.571 6.398 1.00 0.00 O ATOM 0 H TYR A 59 -8.574 -4.802 3.288 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.279 -7.408 2.023 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.974 -7.163 4.898 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.360 -8.548 4.017 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.363 -5.332 5.619 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.019 -9.091 4.032 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.115 -4.939 6.591 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.772 -8.699 5.006 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.814 -5.624 6.306 1.00 0.00 H new ATOM 798 N GLN A 60 -11.801 -6.896 2.799 1.00 0.00 N ATOM 799 CA GLN A 60 -13.189 -6.368 2.829 1.00 0.00 C ATOM 800 C GLN A 60 -13.737 -6.624 4.228 1.00 0.00 C ATOM 801 O GLN A 60 -14.837 -7.109 4.409 1.00 0.00 O ATOM 802 CB GLN A 60 -14.048 -7.092 1.789 1.00 0.00 C ATOM 803 CG GLN A 60 -14.667 -6.065 0.838 1.00 0.00 C ATOM 804 CD GLN A 60 -16.169 -6.325 0.709 1.00 0.00 C ATOM 805 OE1 GLN A 60 -16.705 -6.331 -0.382 1.00 0.00 O ATOM 806 NE2 GLN A 60 -16.876 -6.545 1.783 1.00 0.00 N ATOM 0 H GLN A 60 -11.728 -7.911 2.732 1.00 0.00 H new ATOM 0 HA GLN A 60 -13.204 -5.303 2.596 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -13.439 -7.802 1.229 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -14.832 -7.665 2.284 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.493 -5.056 1.213 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -14.191 -6.128 -0.141 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -16.427 -6.540 2.699 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -17.878 -6.722 1.707 1.00 0.00 H new ATOM 815 N VAL A 61 -12.947 -6.318 5.217 1.00 0.00 N ATOM 816 CA VAL A 61 -13.365 -6.552 6.625 1.00 0.00 C ATOM 817 C VAL A 61 -14.017 -5.290 7.189 1.00 0.00 C ATOM 818 O VAL A 61 -13.643 -4.183 6.860 1.00 0.00 O ATOM 819 CB VAL A 61 -12.130 -6.892 7.452 1.00 0.00 C ATOM 820 CG1 VAL A 61 -12.548 -7.340 8.851 1.00 0.00 C ATOM 821 CG2 VAL A 61 -11.345 -8.014 6.767 1.00 0.00 C ATOM 0 H VAL A 61 -12.018 -5.911 5.108 1.00 0.00 H new ATOM 0 HA VAL A 61 -14.082 -7.372 6.663 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.500 -6.006 7.533 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -11.661 -7.581 9.436 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -13.098 -6.537 9.341 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.184 -8.222 8.776 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.463 -8.255 7.360 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.976 -8.898 6.679 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -11.037 -7.688 5.774 1.00 0.00 H new ATOM 831 N GLU A 62 -14.995 -5.454 8.038 1.00 0.00 N ATOM 832 CA GLU A 62 -15.681 -4.271 8.626 1.00 0.00 C ATOM 833 C GLU A 62 -14.732 -3.559 9.590 1.00 0.00 C ATOM 834 O GLU A 62 -14.401 -4.070 10.641 1.00 0.00 O ATOM 835 CB GLU A 62 -16.927 -4.732 9.387 1.00 0.00 C ATOM 836 CG GLU A 62 -18.044 -3.701 9.212 1.00 0.00 C ATOM 837 CD GLU A 62 -19.239 -4.357 8.518 1.00 0.00 C ATOM 838 OE1 GLU A 62 -19.016 -5.226 7.692 1.00 0.00 O ATOM 839 OE2 GLU A 62 -20.359 -3.979 8.825 1.00 0.00 O ATOM 0 H GLU A 62 -15.348 -6.359 8.350 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.972 -3.586 7.830 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.253 -5.704 9.016 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.695 -4.856 10.445 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -18.345 -3.307 10.183 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.686 -2.857 8.622 1.00 0.00 H new ATOM 846 N LEU A 63 -14.296 -2.380 9.243 1.00 0.00 N ATOM 847 CA LEU A 63 -13.375 -1.636 10.146 1.00 0.00 C ATOM 848 C LEU A 63 -13.640 -0.132 10.018 1.00 0.00 C ATOM 849 O LEU A 63 -12.980 0.551 9.261 1.00 0.00 O ATOM 850 CB LEU A 63 -11.923 -1.934 9.765 1.00 0.00 C ATOM 851 CG LEU A 63 -11.016 -1.654 10.966 1.00 0.00 C ATOM 852 CD1 LEU A 63 -9.978 -2.769 11.099 1.00 0.00 C ATOM 853 CD2 LEU A 63 -10.303 -0.316 10.763 1.00 0.00 C ATOM 0 H LEU A 63 -14.537 -1.901 8.375 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.547 -1.951 11.175 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.823 -2.974 9.454 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.624 -1.318 8.917 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.619 -1.613 11.873 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.334 -2.566 11.955 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.485 -3.723 11.244 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.374 -2.814 10.193 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.657 -0.115 11.617 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.702 -0.358 9.855 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.042 0.480 10.672 1.00 0.00 H new ATOM 865 N PRO A 64 -14.601 0.335 10.773 1.00 0.00 N ATOM 866 CA PRO A 64 -14.988 1.757 10.784 1.00 0.00 C ATOM 867 C PRO A 64 -14.005 2.549 11.646 1.00 0.00 C ATOM 868 O PRO A 64 -13.162 1.981 12.311 1.00 0.00 O ATOM 869 CB PRO A 64 -16.382 1.743 11.417 1.00 0.00 C ATOM 870 CG PRO A 64 -16.475 0.433 12.238 1.00 0.00 C ATOM 871 CD PRO A 64 -15.389 -0.512 11.689 1.00 0.00 C ATOM 0 HA PRO A 64 -14.983 2.221 9.798 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.527 2.614 12.057 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.157 1.777 10.651 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.317 0.629 13.299 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.464 -0.016 12.140 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.770 -0.915 12.490 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -15.828 -1.362 11.167 1.00 0.00 H new ATOM 879 N LEU A 65 -14.093 3.852 11.652 1.00 0.00 N ATOM 880 CA LEU A 65 -13.143 4.633 12.490 1.00 0.00 C ATOM 881 C LEU A 65 -13.449 4.377 13.963 1.00 0.00 C ATOM 882 O LEU A 65 -12.554 4.169 14.758 1.00 0.00 O ATOM 883 CB LEU A 65 -13.256 6.135 12.191 1.00 0.00 C ATOM 884 CG LEU A 65 -12.595 6.494 10.844 1.00 0.00 C ATOM 885 CD1 LEU A 65 -12.018 7.905 10.927 1.00 0.00 C ATOM 886 CD2 LEU A 65 -11.446 5.541 10.504 1.00 0.00 C ATOM 0 H LEU A 65 -14.770 4.401 11.122 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.126 4.315 12.259 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.306 6.425 12.171 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.784 6.703 12.992 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.361 6.418 10.072 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.550 8.163 9.977 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.818 8.613 11.141 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.273 7.947 11.722 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.007 5.827 9.548 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.686 5.595 11.283 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.826 4.522 10.438 1.00 0.00 H new ATOM 898 N LYS A 66 -14.700 4.368 14.337 1.00 0.00 N ATOM 899 CA LYS A 66 -15.028 4.097 15.763 1.00 0.00 C ATOM 900 C LYS A 66 -14.221 2.877 16.204 1.00 0.00 C ATOM 901 O LYS A 66 -13.707 2.815 17.302 1.00 0.00 O ATOM 902 CB LYS A 66 -16.526 3.814 15.906 1.00 0.00 C ATOM 903 CG LYS A 66 -16.850 2.436 15.323 1.00 0.00 C ATOM 904 CD LYS A 66 -18.356 2.322 15.085 1.00 0.00 C ATOM 905 CE LYS A 66 -19.086 2.287 16.428 1.00 0.00 C ATOM 906 NZ LYS A 66 -18.599 1.127 17.225 1.00 0.00 N ATOM 0 H LYS A 66 -15.499 4.534 13.725 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.781 4.959 16.383 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.814 3.852 16.957 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.102 4.582 15.390 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.311 2.290 14.387 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.519 1.654 16.006 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.706 3.167 14.491 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.577 1.419 14.516 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.913 3.215 16.973 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -20.161 2.207 16.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.297 0.894 17.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.468 0.307 16.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.692 1.370 17.673 1.00 0.00 H new ATOM 920 N VAL A 67 -14.080 1.922 15.326 1.00 0.00 N ATOM 921 CA VAL A 67 -13.276 0.716 15.651 1.00 0.00 C ATOM 922 C VAL A 67 -11.806 1.145 15.691 1.00 0.00 C ATOM 923 O VAL A 67 -11.066 0.774 16.580 1.00 0.00 O ATOM 924 CB VAL A 67 -13.520 -0.353 14.574 1.00 0.00 C ATOM 925 CG1 VAL A 67 -12.280 -1.229 14.378 1.00 0.00 C ATOM 926 CG2 VAL A 67 -14.692 -1.241 15.002 1.00 0.00 C ATOM 0 H VAL A 67 -14.491 1.928 14.392 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.556 0.289 16.614 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.745 0.151 13.634 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.480 -1.977 13.611 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.440 -0.607 14.068 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.035 -1.728 15.316 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.869 -2.001 14.241 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.455 -1.724 15.950 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.587 -0.630 15.120 1.00 0.00 H new ATOM 936 N LEU A 68 -11.389 1.960 14.757 1.00 0.00 N ATOM 937 CA LEU A 68 -9.982 2.444 14.783 1.00 0.00 C ATOM 938 C LEU A 68 -9.797 3.218 16.087 1.00 0.00 C ATOM 939 O LEU A 68 -8.704 3.370 16.590 1.00 0.00 O ATOM 940 CB LEU A 68 -9.724 3.362 13.580 1.00 0.00 C ATOM 941 CG LEU A 68 -8.224 3.404 13.266 1.00 0.00 C ATOM 942 CD1 LEU A 68 -7.933 2.533 12.045 1.00 0.00 C ATOM 943 CD2 LEU A 68 -7.797 4.841 12.960 1.00 0.00 C ATOM 0 H LEU A 68 -11.958 2.307 13.985 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.281 1.611 14.727 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.276 3.002 12.712 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.088 4.367 13.794 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.671 3.033 14.129 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.866 2.563 11.822 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.231 1.505 12.252 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.493 2.908 11.189 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.730 4.864 12.738 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.355 5.211 12.100 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.001 5.473 13.824 1.00 0.00 H new ATOM 955 N PHE A 69 -10.882 3.691 16.647 1.00 0.00 N ATOM 956 CA PHE A 69 -10.803 4.440 17.934 1.00 0.00 C ATOM 957 C PHE A 69 -10.777 3.439 19.093 1.00 0.00 C ATOM 958 O PHE A 69 -10.052 3.603 20.053 1.00 0.00 O ATOM 959 CB PHE A 69 -12.022 5.351 18.080 1.00 0.00 C ATOM 960 CG PHE A 69 -11.841 6.579 17.218 1.00 0.00 C ATOM 961 CD1 PHE A 69 -10.935 7.576 17.602 1.00 0.00 C ATOM 962 CD2 PHE A 69 -12.579 6.723 16.036 1.00 0.00 C ATOM 963 CE1 PHE A 69 -10.766 8.714 16.805 1.00 0.00 C ATOM 964 CE2 PHE A 69 -12.408 7.863 15.238 1.00 0.00 C ATOM 965 CZ PHE A 69 -11.502 8.859 15.624 1.00 0.00 C ATOM 0 H PHE A 69 -11.822 3.589 16.265 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.898 5.048 17.946 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.925 4.817 17.785 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -12.149 5.641 19.123 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.367 7.466 18.514 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -13.279 5.956 15.740 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.066 9.481 17.102 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.975 7.973 14.325 1.00 0.00 H new ATOM 0 HZ PHE A 69 -11.372 9.738 15.010 1.00 0.00 H new ATOM 975 N ALA A 70 -11.565 2.398 19.004 1.00 0.00 N ATOM 976 CA ALA A 70 -11.588 1.374 20.091 1.00 0.00 C ATOM 977 C ALA A 70 -10.259 0.632 20.094 1.00 0.00 C ATOM 978 O ALA A 70 -9.801 0.136 21.104 1.00 0.00 O ATOM 979 CB ALA A 70 -12.706 0.362 19.815 1.00 0.00 C ATOM 0 H ALA A 70 -12.195 2.213 18.223 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.757 1.863 21.050 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.724 -0.386 20.608 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.665 0.879 19.783 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.525 -0.128 18.858 1.00 0.00 H new ATOM 985 N GLN A 71 -9.660 0.534 18.948 1.00 0.00 N ATOM 986 CA GLN A 71 -8.373 -0.197 18.817 1.00 0.00 C ATOM 987 C GLN A 71 -7.498 0.600 17.848 1.00 0.00 C ATOM 988 O GLN A 71 -7.257 0.179 16.733 1.00 0.00 O ATOM 989 CB GLN A 71 -8.649 -1.607 18.259 1.00 0.00 C ATOM 990 CG GLN A 71 -10.167 -1.810 18.098 1.00 0.00 C ATOM 991 CD GLN A 71 -10.514 -3.295 18.084 1.00 0.00 C ATOM 992 OE1 GLN A 71 -9.690 -4.128 17.765 1.00 0.00 O ATOM 993 NE2 GLN A 71 -11.722 -3.655 18.423 1.00 0.00 N ATOM 0 H GLN A 71 -10.012 0.936 18.079 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.871 -0.301 19.779 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.151 -1.733 17.298 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.240 -2.362 18.931 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.694 -1.316 18.915 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.505 -1.344 17.173 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.409 -2.949 18.690 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.979 -4.642 18.421 1.00 0.00 H new ATOM 1002 N PRO A 72 -7.088 1.759 18.301 1.00 0.00 N ATOM 1003 CA PRO A 72 -6.280 2.693 17.499 1.00 0.00 C ATOM 1004 C PRO A 72 -4.809 2.279 17.397 1.00 0.00 C ATOM 1005 O PRO A 72 -3.926 3.057 17.699 1.00 0.00 O ATOM 1006 CB PRO A 72 -6.410 4.021 18.252 1.00 0.00 C ATOM 1007 CG PRO A 72 -6.807 3.667 19.705 1.00 0.00 C ATOM 1008 CD PRO A 72 -7.390 2.243 19.666 1.00 0.00 C ATOM 0 HA PRO A 72 -6.628 2.733 16.467 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.470 4.572 18.230 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.164 4.657 17.788 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.941 3.713 20.366 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.540 4.376 20.090 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.934 1.606 20.424 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.463 2.248 19.858 1.00 0.00 H new ATOM 1016 N THR A 73 -4.524 1.090 16.950 1.00 0.00 N ATOM 1017 CA THR A 73 -3.095 0.702 16.814 1.00 0.00 C ATOM 1018 C THR A 73 -2.919 -0.366 15.725 1.00 0.00 C ATOM 1019 O THR A 73 -3.876 -0.860 15.165 1.00 0.00 O ATOM 1020 CB THR A 73 -2.579 0.185 18.145 1.00 0.00 C ATOM 1021 OG1 THR A 73 -1.213 -0.147 17.999 1.00 0.00 O ATOM 1022 CG2 THR A 73 -3.382 -1.039 18.562 1.00 0.00 C ATOM 0 H THR A 73 -5.205 0.381 16.677 1.00 0.00 H new ATOM 0 HA THR A 73 -2.521 1.581 16.521 1.00 0.00 H new ATOM 0 HB THR A 73 -2.687 0.948 18.916 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.753 0.567 17.509 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.011 -1.409 19.518 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.433 -0.768 18.661 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.278 -1.817 17.806 1.00 0.00 H new ATOM 1030 N ILE A 74 -1.691 -0.721 15.420 1.00 0.00 N ATOM 1031 CA ILE A 74 -1.444 -1.754 14.363 1.00 0.00 C ATOM 1032 C ILE A 74 -1.828 -3.137 14.888 1.00 0.00 C ATOM 1033 O ILE A 74 -2.739 -3.768 14.391 1.00 0.00 O ATOM 1034 CB ILE A 74 0.039 -1.767 13.975 1.00 0.00 C ATOM 1035 CG1 ILE A 74 0.538 -0.341 13.759 1.00 0.00 C ATOM 1036 CG2 ILE A 74 0.219 -2.552 12.675 1.00 0.00 C ATOM 1037 CD1 ILE A 74 2.060 -0.360 13.608 1.00 0.00 C ATOM 0 H ILE A 74 -0.852 -0.340 15.857 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.049 -1.508 13.490 1.00 0.00 H new ATOM 0 HB ILE A 74 0.608 -2.234 14.779 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.077 0.088 12.869 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.252 0.289 14.601 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.273 -2.561 12.399 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.128 -3.575 12.817 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.360 -2.079 11.881 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.423 0.656 13.453 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.510 -0.773 14.511 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.333 -0.977 12.752 1.00 0.00 H new ATOM 1049 N LYS A 75 -1.127 -3.613 15.883 1.00 0.00 N ATOM 1050 CA LYS A 75 -1.430 -4.959 16.448 1.00 0.00 C ATOM 1051 C LYS A 75 -2.942 -5.160 16.508 1.00 0.00 C ATOM 1052 O LYS A 75 -3.472 -6.122 15.989 1.00 0.00 O ATOM 1053 CB LYS A 75 -0.850 -5.056 17.859 1.00 0.00 C ATOM 1054 CG LYS A 75 -0.534 -6.516 18.187 1.00 0.00 C ATOM 1055 CD LYS A 75 -1.709 -7.131 18.949 1.00 0.00 C ATOM 1056 CE LYS A 75 -1.791 -8.625 18.637 1.00 0.00 C ATOM 1057 NZ LYS A 75 -1.420 -9.408 19.849 1.00 0.00 N ATOM 0 H LYS A 75 -0.353 -3.123 16.331 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.987 -5.728 15.814 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.055 -4.453 17.933 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.560 -4.656 18.583 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.349 -7.075 17.269 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.374 -6.577 18.786 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.581 -6.979 20.021 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.639 -6.638 18.666 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.800 -8.886 18.318 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.122 -8.872 17.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.476 -10.424 19.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.449 -9.167 20.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.075 -9.180 20.624 1.00 0.00 H new ATOM 1071 N ALA A 76 -3.641 -4.258 17.137 1.00 0.00 N ATOM 1072 CA ALA A 76 -5.119 -4.397 17.226 1.00 0.00 C ATOM 1073 C ALA A 76 -5.712 -4.344 15.816 1.00 0.00 C ATOM 1074 O ALA A 76 -6.342 -5.278 15.370 1.00 0.00 O ATOM 1075 CB ALA A 76 -5.687 -3.256 18.072 1.00 0.00 C ATOM 0 H ALA A 76 -3.253 -3.432 17.592 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.375 -5.349 17.692 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.770 -3.357 18.138 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.257 -3.296 19.073 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.439 -2.301 17.609 1.00 0.00 H new ATOM 1081 N LEU A 77 -5.507 -3.268 15.103 1.00 0.00 N ATOM 1082 CA LEU A 77 -6.055 -3.183 13.718 1.00 0.00 C ATOM 1083 C LEU A 77 -5.781 -4.503 13.000 1.00 0.00 C ATOM 1084 O LEU A 77 -6.688 -5.217 12.616 1.00 0.00 O ATOM 1085 CB LEU A 77 -5.350 -2.050 12.957 1.00 0.00 C ATOM 1086 CG LEU A 77 -6.173 -0.750 12.985 1.00 0.00 C ATOM 1087 CD1 LEU A 77 -7.051 -0.670 11.738 1.00 0.00 C ATOM 1088 CD2 LEU A 77 -7.058 -0.689 14.232 1.00 0.00 C ATOM 0 H LEU A 77 -4.987 -2.449 15.418 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.127 -2.987 13.758 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.370 -1.870 13.398 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.184 -2.354 11.923 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.481 0.092 13.007 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.632 0.252 11.761 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.421 -0.680 10.848 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.727 -1.525 11.713 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.629 0.239 14.228 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.743 -1.537 14.234 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.433 -0.726 15.124 1.00 0.00 H new ATOM 1100 N ALA A 78 -4.532 -4.836 12.825 1.00 0.00 N ATOM 1101 CA ALA A 78 -4.195 -6.113 12.141 1.00 0.00 C ATOM 1102 C ALA A 78 -5.015 -7.238 12.767 1.00 0.00 C ATOM 1103 O ALA A 78 -5.506 -8.110 12.087 1.00 0.00 O ATOM 1104 CB ALA A 78 -2.703 -6.406 12.309 1.00 0.00 C ATOM 0 H ALA A 78 -3.732 -4.279 13.126 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.424 -6.037 11.078 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.457 -7.342 11.807 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.121 -5.595 11.870 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.466 -6.490 13.370 1.00 0.00 H new ATOM 1110 N GLN A 79 -5.173 -7.220 14.061 1.00 0.00 N ATOM 1111 CA GLN A 79 -5.970 -8.289 14.723 1.00 0.00 C ATOM 1112 C GLN A 79 -7.442 -8.125 14.330 1.00 0.00 C ATOM 1113 O GLN A 79 -8.133 -9.086 14.057 1.00 0.00 O ATOM 1114 CB GLN A 79 -5.773 -8.193 16.253 1.00 0.00 C ATOM 1115 CG GLN A 79 -7.033 -7.664 16.957 1.00 0.00 C ATOM 1116 CD GLN A 79 -6.870 -7.806 18.473 1.00 0.00 C ATOM 1117 OE1 GLN A 79 -5.844 -7.458 19.020 1.00 0.00 O ATOM 1118 NE2 GLN A 79 -7.850 -8.306 19.178 1.00 0.00 N ATOM 0 H GLN A 79 -4.786 -6.514 14.687 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.639 -9.276 14.402 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.520 -9.176 16.650 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.931 -7.536 16.471 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.197 -6.619 16.695 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.910 -8.218 16.621 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.712 -8.598 18.718 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.753 -8.404 20.189 1.00 0.00 H new ATOM 1127 N TYR A 80 -7.923 -6.913 14.284 1.00 0.00 N ATOM 1128 CA TYR A 80 -9.340 -6.694 13.890 1.00 0.00 C ATOM 1129 C TYR A 80 -9.560 -7.332 12.520 1.00 0.00 C ATOM 1130 O TYR A 80 -10.608 -7.870 12.224 1.00 0.00 O ATOM 1131 CB TYR A 80 -9.630 -5.192 13.810 1.00 0.00 C ATOM 1132 CG TYR A 80 -11.083 -4.944 14.140 1.00 0.00 C ATOM 1133 CD1 TYR A 80 -11.559 -5.182 15.435 1.00 0.00 C ATOM 1134 CD2 TYR A 80 -11.954 -4.476 13.149 1.00 0.00 C ATOM 1135 CE1 TYR A 80 -12.907 -4.952 15.739 1.00 0.00 C ATOM 1136 CE2 TYR A 80 -13.302 -4.246 13.454 1.00 0.00 C ATOM 1137 CZ TYR A 80 -13.779 -4.484 14.748 1.00 0.00 C ATOM 1138 OH TYR A 80 -15.106 -4.260 15.047 1.00 0.00 O ATOM 0 H TYR A 80 -7.396 -6.067 14.502 1.00 0.00 H new ATOM 0 HA TYR A 80 -10.007 -7.141 14.627 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.990 -4.649 14.505 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.404 -4.819 12.811 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.887 -5.543 16.200 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -11.587 -4.292 12.150 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -13.274 -5.136 16.738 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -13.974 -3.885 12.690 1.00 0.00 H new ATOM 0 HH TYR A 80 -15.191 -4.006 15.990 1.00 0.00 H new ATOM 1148 N VAL A 81 -8.557 -7.276 11.686 1.00 0.00 N ATOM 1149 CA VAL A 81 -8.667 -7.882 10.321 1.00 0.00 C ATOM 1150 C VAL A 81 -8.249 -9.344 10.389 1.00 0.00 C ATOM 1151 O VAL A 81 -9.039 -10.254 10.231 1.00 0.00 O ATOM 1152 CB VAL A 81 -7.715 -7.180 9.324 1.00 0.00 C ATOM 1153 CG1 VAL A 81 -8.528 -6.535 8.207 1.00 0.00 C ATOM 1154 CG2 VAL A 81 -6.883 -6.104 10.031 1.00 0.00 C ATOM 0 H VAL A 81 -7.660 -6.835 11.890 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.699 -7.773 9.987 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.040 -7.928 8.908 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.855 -6.041 7.506 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.099 -7.302 7.683 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.212 -5.800 8.632 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.221 -5.624 9.310 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.548 -5.358 10.466 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.288 -6.564 10.820 1.00 0.00 H new ATOM 1164 N ALA A 82 -6.987 -9.554 10.610 1.00 0.00 N ATOM 1165 CA ALA A 82 -6.431 -10.924 10.681 1.00 0.00 C ATOM 1166 C ALA A 82 -7.287 -11.799 11.602 1.00 0.00 C ATOM 1167 O ALA A 82 -7.330 -13.005 11.458 1.00 0.00 O ATOM 1168 CB ALA A 82 -5.008 -10.817 11.222 1.00 0.00 C ATOM 0 H ALA A 82 -6.301 -8.812 10.748 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.429 -11.386 9.694 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.568 -11.812 11.287 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.410 -10.199 10.553 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.029 -10.364 12.213 1.00 0.00 H new ATOM 1174 N THR A 83 -7.973 -11.210 12.541 1.00 0.00 N ATOM 1175 CA THR A 83 -8.822 -12.026 13.456 1.00 0.00 C ATOM 1176 C THR A 83 -9.797 -11.113 14.202 1.00 0.00 C ATOM 1177 O THR A 83 -9.968 -11.309 15.394 1.00 0.00 O ATOM 1178 CB THR A 83 -7.930 -12.759 14.460 1.00 0.00 C ATOM 1179 OG1 THR A 83 -8.743 -13.406 15.430 1.00 0.00 O ATOM 1180 CG2 THR A 83 -7.003 -11.758 15.152 1.00 0.00 C ATOM 0 H THR A 83 -7.984 -10.205 12.715 1.00 0.00 H new ATOM 0 HA THR A 83 -9.387 -12.755 12.875 1.00 0.00 H new ATOM 0 HB THR A 83 -7.329 -13.502 13.936 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.193 -12.732 15.981 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.369 -12.283 15.866 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.379 -11.265 14.407 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.600 -11.012 15.676 1.00 0.00 H new