USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 609 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 60 ASN : amide:sc= -3.21 K(o=-3.3,f=-14!) USER MOD Set 1.2: A 79 SER OG : rot 82:sc= -0.098 USER MOD Single : A 12 CYS SG : rot -70:sc= -1.4 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 18:sc= 0.844 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 35 TYR OH : rot 130:sc= -2.13! USER MOD Single : A 36 MET CE :methyl 180:sc= -0.116 (180deg=-0.116) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -0.103 X(o=-0.1,f=-0.036) USER MOD Single : A 63 ASN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.804 X(o=-0.8,f=-0.58) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= -0.566 USER MOD Single : A 84 MET CE :methyl -170:sc= -0.0058 (180deg=-0.174) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 9 -0.541 -8.713 -11.963 1.00 0.00 N ATOM 84 CA PRO A 9 -0.719 -7.652 -10.967 1.00 0.00 C ATOM 85 C PRO A 9 -0.372 -6.274 -11.521 1.00 0.00 C ATOM 86 O PRO A 9 0.018 -6.140 -12.681 1.00 0.00 O ATOM 87 CB PRO A 9 0.257 -8.042 -9.855 1.00 0.00 C ATOM 88 CG PRO A 9 1.303 -8.856 -10.536 1.00 0.00 C ATOM 89 CD PRO A 9 0.600 -9.588 -11.645 1.00 0.00 C ATOM 0 HA PRO A 9 -1.754 -7.573 -10.636 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.688 -7.161 -9.380 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.242 -8.614 -9.073 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.097 -8.221 -10.929 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.768 -9.555 -9.841 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.250 -9.730 -12.508 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.271 -10.578 -11.328 1.00 0.00 H new ATOM 97 N ARG A 10 -0.517 -5.252 -10.683 1.00 0.00 N ATOM 98 CA ARG A 10 -0.220 -3.883 -11.090 1.00 0.00 C ATOM 99 C ARG A 10 1.018 -3.359 -10.369 1.00 0.00 C ATOM 100 O ARG A 10 1.358 -3.822 -9.279 1.00 0.00 O ATOM 101 CB ARG A 10 -1.415 -2.972 -10.802 1.00 0.00 C ATOM 102 CG ARG A 10 -2.428 -2.921 -11.934 1.00 0.00 C ATOM 103 CD ARG A 10 -2.093 -1.823 -12.932 1.00 0.00 C ATOM 104 NE ARG A 10 -1.115 -2.263 -13.923 1.00 0.00 N ATOM 105 CZ ARG A 10 -1.410 -3.064 -14.941 1.00 0.00 C ATOM 106 NH1 ARG A 10 -2.649 -3.509 -15.102 1.00 0.00 N ATOM 107 NH2 ARG A 10 -0.465 -3.420 -15.802 1.00 0.00 N ATOM 0 H ARG A 10 -0.838 -5.346 -9.719 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.023 -3.884 -12.162 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.913 -3.316 -9.895 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.053 -1.963 -10.604 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.453 -3.883 -12.445 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.424 -2.751 -11.525 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.004 -1.504 -13.439 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.704 -0.955 -12.399 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.153 -1.938 -13.829 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.378 -3.236 -14.443 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.872 -4.124 -15.885 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.489 -3.079 -15.682 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.692 -4.035 -16.583 1.00 0.00 H new ATOM 121 N LEU A 11 1.689 -2.391 -10.984 1.00 0.00 N ATOM 122 CA LEU A 11 2.890 -1.803 -10.401 1.00 0.00 C ATOM 123 C LEU A 11 2.612 -0.395 -9.884 1.00 0.00 C ATOM 124 O LEU A 11 2.175 0.478 -10.636 1.00 0.00 O ATOM 125 CB LEU A 11 4.016 -1.766 -11.435 1.00 0.00 C ATOM 126 CG LEU A 11 5.423 -1.521 -10.887 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.445 -0.279 -10.009 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.911 -2.735 -10.110 1.00 0.00 C ATOM 0 H LEU A 11 1.422 -1.997 -11.886 1.00 0.00 H new ATOM 0 HA LEU A 11 3.197 -2.424 -9.560 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.018 -2.713 -11.975 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.790 -0.985 -12.161 1.00 0.00 H new ATOM 0 HG LEU A 11 6.097 -1.358 -11.728 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.454 -0.121 -9.628 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.138 0.587 -10.596 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.758 -0.412 -9.173 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.913 -2.543 -9.727 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.236 -2.929 -9.277 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.934 -3.603 -10.769 1.00 0.00 H new ATOM 140 N CYS A 12 2.869 -0.180 -8.599 1.00 0.00 N ATOM 141 CA CYS A 12 2.648 1.123 -7.982 1.00 0.00 C ATOM 142 C CYS A 12 3.974 1.789 -7.628 1.00 0.00 C ATOM 143 O CYS A 12 4.569 1.496 -6.591 1.00 0.00 O ATOM 144 CB CYS A 12 1.785 0.976 -6.728 1.00 0.00 C ATOM 145 SG CYS A 12 0.318 -0.054 -6.957 1.00 0.00 S ATOM 0 H CYS A 12 3.231 -0.891 -7.964 1.00 0.00 H new ATOM 0 HA CYS A 12 2.126 1.755 -8.701 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.393 0.551 -5.930 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.472 1.966 -6.397 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.534 0.567 -7.718 1.00 0.00 H new ATOM 151 N TYR A 13 4.430 2.684 -8.496 1.00 0.00 N ATOM 152 CA TYR A 13 5.688 3.389 -8.277 1.00 0.00 C ATOM 153 C TYR A 13 5.475 4.625 -7.409 1.00 0.00 C ATOM 154 O TYR A 13 4.890 5.615 -7.851 1.00 0.00 O ATOM 155 CB TYR A 13 6.311 3.791 -9.615 1.00 0.00 C ATOM 156 CG TYR A 13 7.823 3.768 -9.610 1.00 0.00 C ATOM 157 CD1 TYR A 13 8.519 2.572 -9.733 1.00 0.00 C ATOM 158 CD2 TYR A 13 8.555 4.942 -9.481 1.00 0.00 C ATOM 159 CE1 TYR A 13 9.901 2.546 -9.728 1.00 0.00 C ATOM 160 CE2 TYR A 13 9.936 4.926 -9.477 1.00 0.00 C ATOM 161 CZ TYR A 13 10.604 3.726 -9.601 1.00 0.00 C ATOM 162 OH TYR A 13 11.980 3.705 -9.595 1.00 0.00 O ATOM 0 H TYR A 13 3.948 2.939 -9.358 1.00 0.00 H new ATOM 0 HA TYR A 13 6.368 2.715 -7.756 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.948 3.118 -10.392 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.972 4.793 -9.878 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.971 1.647 -9.834 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.035 5.883 -9.382 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.427 1.608 -9.823 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.490 5.848 -9.377 1.00 0.00 H new ATOM 0 HH TYR A 13 12.321 4.619 -9.499 1.00 0.00 H new ATOM 172 N LEU A 14 5.955 4.562 -6.172 1.00 0.00 N ATOM 173 CA LEU A 14 5.820 5.676 -5.241 1.00 0.00 C ATOM 174 C LEU A 14 7.091 6.519 -5.211 1.00 0.00 C ATOM 175 O LEU A 14 8.201 5.988 -5.260 1.00 0.00 O ATOM 176 CB LEU A 14 5.505 5.157 -3.837 1.00 0.00 C ATOM 177 CG LEU A 14 4.036 4.839 -3.553 1.00 0.00 C ATOM 178 CD1 LEU A 14 3.296 6.089 -3.104 1.00 0.00 C ATOM 179 CD2 LEU A 14 3.374 4.237 -4.783 1.00 0.00 C ATOM 0 H LEU A 14 6.441 3.751 -5.791 1.00 0.00 H new ATOM 0 HA LEU A 14 4.998 6.305 -5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.091 4.254 -3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.842 5.899 -3.113 1.00 0.00 H new ATOM 0 HG LEU A 14 3.992 4.107 -2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.253 5.843 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.756 6.477 -2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.349 6.844 -3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.329 4.017 -4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.429 4.946 -5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.888 3.317 -5.059 1.00 0.00 H new ATOM 191 N VAL A 15 6.921 7.834 -5.128 1.00 0.00 N ATOM 192 CA VAL A 15 8.054 8.751 -5.087 1.00 0.00 C ATOM 193 C VAL A 15 7.845 9.839 -4.040 1.00 0.00 C ATOM 194 O VAL A 15 6.821 10.523 -4.036 1.00 0.00 O ATOM 195 CB VAL A 15 8.291 9.411 -6.458 1.00 0.00 C ATOM 196 CG1 VAL A 15 9.457 10.386 -6.387 1.00 0.00 C ATOM 197 CG2 VAL A 15 8.534 8.354 -7.524 1.00 0.00 C ATOM 0 H VAL A 15 6.009 8.289 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 15 8.930 8.159 -4.820 1.00 0.00 H new ATOM 0 HB VAL A 15 7.396 9.970 -6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.610 10.843 -7.365 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.238 11.163 -5.654 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.360 9.852 -6.091 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.699 8.839 -8.486 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.412 7.765 -7.259 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.665 7.700 -7.592 1.00 0.00 H new ATOM 207 N LYS A 16 8.821 9.995 -3.153 1.00 0.00 N ATOM 208 CA LYS A 16 8.746 11.001 -2.101 1.00 0.00 C ATOM 209 C LYS A 16 8.415 12.372 -2.682 1.00 0.00 C ATOM 210 O LYS A 16 9.304 13.098 -3.127 1.00 0.00 O ATOM 211 CB LYS A 16 10.069 11.066 -1.333 1.00 0.00 C ATOM 212 CG LYS A 16 10.128 10.126 -0.142 1.00 0.00 C ATOM 213 CD LYS A 16 11.291 10.462 0.776 1.00 0.00 C ATOM 214 CE LYS A 16 11.220 9.674 2.076 1.00 0.00 C ATOM 215 NZ LYS A 16 12.390 9.950 2.955 1.00 0.00 N ATOM 0 H LYS A 16 9.675 9.437 -3.142 1.00 0.00 H new ATOM 0 HA LYS A 16 7.949 10.715 -1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.886 10.828 -2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.229 12.087 -0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.194 10.185 0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.225 9.099 -0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.231 10.245 0.269 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.286 11.530 0.996 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.301 9.927 2.604 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.177 8.608 1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.305 9.395 3.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.266 9.685 2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.417 10.963 3.189 1.00 0.00 H new ATOM 229 N GLU A 17 7.132 12.720 -2.672 1.00 0.00 N ATOM 230 CA GLU A 17 6.686 14.005 -3.197 1.00 0.00 C ATOM 231 C GLU A 17 6.332 14.963 -2.064 1.00 0.00 C ATOM 232 O GLU A 17 6.828 16.088 -2.010 1.00 0.00 O ATOM 233 CB GLU A 17 5.476 13.813 -4.114 1.00 0.00 C ATOM 234 CG GLU A 17 4.921 15.114 -4.669 1.00 0.00 C ATOM 235 CD GLU A 17 5.749 15.659 -5.817 1.00 0.00 C ATOM 236 OE1 GLU A 17 5.886 14.952 -6.837 1.00 0.00 O ATOM 237 OE2 GLU A 17 6.259 16.792 -5.695 1.00 0.00 O ATOM 0 H GLU A 17 6.384 12.131 -2.306 1.00 0.00 H new ATOM 0 HA GLU A 17 7.505 14.438 -3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.759 13.165 -4.944 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.690 13.299 -3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.898 14.953 -5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.879 15.856 -3.872 1.00 0.00 H new ATOM 244 N GLY A 18 5.469 14.509 -1.160 1.00 0.00 N ATOM 245 CA GLY A 18 5.063 15.337 -0.040 1.00 0.00 C ATOM 246 C GLY A 18 5.491 14.760 1.295 1.00 0.00 C ATOM 247 O GLY A 18 6.057 13.669 1.354 1.00 0.00 O ATOM 0 H GLY A 18 5.044 13.582 -1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.490 16.333 -0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.979 15.452 -0.052 1.00 0.00 H new ATOM 251 N GLY A 19 5.221 15.494 2.370 1.00 0.00 N ATOM 252 CA GLY A 19 5.591 15.033 3.695 1.00 0.00 C ATOM 253 C GLY A 19 5.482 13.528 3.836 1.00 0.00 C ATOM 254 O GLY A 19 6.341 12.891 4.446 1.00 0.00 O ATOM 0 H GLY A 19 4.753 16.400 2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.614 15.342 3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.950 15.512 4.435 1.00 0.00 H new ATOM 258 N SER A 20 4.423 12.956 3.271 1.00 0.00 N ATOM 259 CA SER A 20 4.203 11.517 3.342 1.00 0.00 C ATOM 260 C SER A 20 3.755 10.969 1.990 1.00 0.00 C ATOM 261 O SER A 20 2.925 11.570 1.308 1.00 0.00 O ATOM 262 CB SER A 20 3.155 11.191 4.409 1.00 0.00 C ATOM 263 OG SER A 20 2.869 9.804 4.436 1.00 0.00 O ATOM 0 H SER A 20 3.704 13.468 2.759 1.00 0.00 H new ATOM 0 HA SER A 20 5.147 11.043 3.613 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.516 11.510 5.387 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.241 11.750 4.208 1.00 0.00 H new ATOM 0 HG SER A 20 2.198 9.622 5.127 1.00 0.00 H new ATOM 269 N TYR A 21 4.312 9.825 1.609 1.00 0.00 N ATOM 270 CA TYR A 21 3.973 9.196 0.338 1.00 0.00 C ATOM 271 C TYR A 21 2.484 9.341 0.038 1.00 0.00 C ATOM 272 O TYR A 21 2.090 10.078 -0.864 1.00 0.00 O ATOM 273 CB TYR A 21 4.358 7.716 0.359 1.00 0.00 C ATOM 274 CG TYR A 21 5.815 7.465 0.039 1.00 0.00 C ATOM 275 CD1 TYR A 21 6.293 7.595 -1.259 1.00 0.00 C ATOM 276 CD2 TYR A 21 6.711 7.096 1.034 1.00 0.00 C ATOM 277 CE1 TYR A 21 7.623 7.366 -1.556 1.00 0.00 C ATOM 278 CE2 TYR A 21 8.043 6.867 0.746 1.00 0.00 C ATOM 279 CZ TYR A 21 8.494 7.003 -0.550 1.00 0.00 C ATOM 280 OH TYR A 21 9.819 6.774 -0.841 1.00 0.00 O ATOM 0 H TYR A 21 5.000 9.314 2.162 1.00 0.00 H new ATOM 0 HA TYR A 21 4.534 9.700 -0.449 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.135 7.305 1.344 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.739 7.178 -0.359 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.614 7.880 -2.049 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.361 6.986 2.050 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.979 7.471 -2.570 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.727 6.583 1.532 1.00 0.00 H new ATOM 0 HH TYR A 21 10.038 7.176 -1.707 1.00 0.00 H new ATOM 290 N GLY A 22 1.661 8.631 0.804 1.00 0.00 N ATOM 291 CA GLY A 22 0.224 8.694 0.606 1.00 0.00 C ATOM 292 C GLY A 22 -0.452 7.358 0.840 1.00 0.00 C ATOM 293 O GLY A 22 -1.396 6.999 0.135 1.00 0.00 O ATOM 0 H GLY A 22 1.963 8.014 1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.201 9.436 1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.015 9.031 -0.409 1.00 0.00 H new ATOM 297 N PHE A 23 0.031 6.618 1.833 1.00 0.00 N ATOM 298 CA PHE A 23 -0.532 5.312 2.157 1.00 0.00 C ATOM 299 C PHE A 23 -0.157 4.895 3.576 1.00 0.00 C ATOM 300 O PHE A 23 0.738 5.476 4.189 1.00 0.00 O ATOM 301 CB PHE A 23 -0.044 4.261 1.158 1.00 0.00 C ATOM 302 CG PHE A 23 1.440 4.036 1.202 1.00 0.00 C ATOM 303 CD1 PHE A 23 2.004 3.229 2.177 1.00 0.00 C ATOM 304 CD2 PHE A 23 2.273 4.632 0.268 1.00 0.00 C ATOM 305 CE1 PHE A 23 3.369 3.019 2.220 1.00 0.00 C ATOM 306 CE2 PHE A 23 3.639 4.427 0.306 1.00 0.00 C ATOM 307 CZ PHE A 23 4.188 3.620 1.284 1.00 0.00 C ATOM 0 H PHE A 23 0.811 6.900 2.427 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.618 5.386 2.094 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.553 3.318 1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.327 4.569 0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.369 2.758 2.913 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.849 5.264 -0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.795 2.386 2.984 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.277 4.897 -0.428 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.255 3.459 1.317 1.00 0.00 H new ATOM 317 N SER A 24 -0.849 3.884 4.091 1.00 0.00 N ATOM 318 CA SER A 24 -0.592 3.391 5.439 1.00 0.00 C ATOM 319 C SER A 24 -0.600 1.865 5.470 1.00 0.00 C ATOM 320 O SER A 24 -1.384 1.222 4.771 1.00 0.00 O ATOM 321 CB SER A 24 -1.639 3.937 6.413 1.00 0.00 C ATOM 322 OG SER A 24 -1.527 5.344 6.544 1.00 0.00 O ATOM 0 H SER A 24 -1.592 3.390 3.596 1.00 0.00 H new ATOM 0 HA SER A 24 0.395 3.739 5.744 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.638 3.680 6.061 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.514 3.466 7.388 1.00 0.00 H new ATOM 0 HG SER A 24 -2.207 5.669 7.170 1.00 0.00 H new ATOM 328 N LEU A 25 0.279 1.293 6.286 1.00 0.00 N ATOM 329 CA LEU A 25 0.375 -0.158 6.410 1.00 0.00 C ATOM 330 C LEU A 25 0.023 -0.608 7.824 1.00 0.00 C ATOM 331 O LEU A 25 0.311 0.087 8.798 1.00 0.00 O ATOM 332 CB LEU A 25 1.785 -0.628 6.049 1.00 0.00 C ATOM 333 CG LEU A 25 2.318 -0.170 4.691 1.00 0.00 C ATOM 334 CD1 LEU A 25 3.838 -0.107 4.708 1.00 0.00 C ATOM 335 CD2 LEU A 25 1.833 -1.097 3.587 1.00 0.00 C ATOM 0 H LEU A 25 0.935 1.811 6.871 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.339 -0.605 5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.471 -0.281 6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.801 -1.718 6.074 1.00 0.00 H new ATOM 0 HG LEU A 25 1.935 0.831 4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.199 0.221 3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.164 0.598 5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.241 -1.095 4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.222 -0.755 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.185 -2.110 3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.743 -1.091 3.559 1.00 0.00 H new ATOM 347 N LYS A 26 -0.601 -1.777 7.929 1.00 0.00 N ATOM 348 CA LYS A 26 -0.989 -2.323 9.224 1.00 0.00 C ATOM 349 C LYS A 26 -0.923 -3.847 9.213 1.00 0.00 C ATOM 350 O LYS A 26 -1.093 -4.480 8.170 1.00 0.00 O ATOM 351 CB LYS A 26 -2.403 -1.866 9.589 1.00 0.00 C ATOM 352 CG LYS A 26 -3.468 -2.348 8.619 1.00 0.00 C ATOM 353 CD LYS A 26 -4.861 -2.224 9.214 1.00 0.00 C ATOM 354 CE LYS A 26 -5.828 -3.213 8.581 1.00 0.00 C ATOM 355 NZ LYS A 26 -7.061 -3.384 9.398 1.00 0.00 N ATOM 0 H LYS A 26 -0.849 -2.364 7.133 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.289 -1.952 9.972 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.645 -2.226 10.589 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.425 -0.777 9.628 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.412 -1.768 7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.276 -3.388 8.353 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.815 -2.396 10.289 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.231 -1.209 9.069 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.099 -2.868 7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.335 -4.178 8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.694 -4.066 8.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.806 -3.737 10.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.546 -2.469 9.491 1.00 0.00 H new ATOM 369 N THR A 27 -0.676 -4.433 10.381 1.00 0.00 N ATOM 370 CA THR A 27 -0.588 -5.882 10.506 1.00 0.00 C ATOM 371 C THR A 27 -1.902 -6.472 11.007 1.00 0.00 C ATOM 372 O THR A 27 -2.645 -5.821 11.742 1.00 0.00 O ATOM 373 CB THR A 27 0.545 -6.295 11.463 1.00 0.00 C ATOM 374 OG1 THR A 27 0.573 -5.421 12.597 1.00 0.00 O ATOM 375 CG2 THR A 27 1.892 -6.259 10.755 1.00 0.00 C ATOM 0 H THR A 27 -0.533 -3.925 11.254 1.00 0.00 H new ATOM 0 HA THR A 27 -0.374 -6.273 9.511 1.00 0.00 H new ATOM 0 HB THR A 27 0.354 -7.315 11.796 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.295 -5.692 13.201 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.677 -6.555 11.451 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.878 -6.948 9.910 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.087 -5.249 10.396 1.00 0.00 H new ATOM 383 N VAL A 28 -2.181 -7.708 10.607 1.00 0.00 N ATOM 384 CA VAL A 28 -3.405 -8.386 11.017 1.00 0.00 C ATOM 385 C VAL A 28 -3.103 -9.767 11.588 1.00 0.00 C ATOM 386 O VAL A 28 -2.290 -10.511 11.041 1.00 0.00 O ATOM 387 CB VAL A 28 -4.387 -8.533 9.840 1.00 0.00 C ATOM 388 CG1 VAL A 28 -5.713 -9.104 10.319 1.00 0.00 C ATOM 389 CG2 VAL A 28 -4.592 -7.195 9.147 1.00 0.00 C ATOM 0 H VAL A 28 -1.576 -8.261 9.999 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.865 -7.769 11.789 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.960 -9.228 9.117 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.394 -9.201 9.474 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.547 -10.085 10.765 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.149 -8.436 11.062 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.289 -7.318 8.318 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.997 -6.475 9.858 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.637 -6.832 8.768 1.00 0.00 H new ATOM 467 N GLY A 33 1.859 -10.896 6.485 1.00 0.00 N ATOM 468 CA GLY A 33 2.179 -9.898 5.481 1.00 0.00 C ATOM 469 C GLY A 33 1.470 -8.581 5.727 1.00 0.00 C ATOM 470 O GLY A 33 0.443 -8.537 6.403 1.00 0.00 O ATOM 0 HA2 GLY A 33 3.256 -9.731 5.470 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.905 -10.277 4.496 1.00 0.00 H new ATOM 474 N VAL A 34 2.021 -7.503 5.177 1.00 0.00 N ATOM 475 CA VAL A 34 1.435 -6.178 5.341 1.00 0.00 C ATOM 476 C VAL A 34 0.759 -5.713 4.056 1.00 0.00 C ATOM 477 O VAL A 34 1.049 -6.219 2.971 1.00 0.00 O ATOM 478 CB VAL A 34 2.498 -5.142 5.752 1.00 0.00 C ATOM 479 CG1 VAL A 34 2.626 -5.079 7.266 1.00 0.00 C ATOM 480 CG2 VAL A 34 3.838 -5.469 5.109 1.00 0.00 C ATOM 0 H VAL A 34 2.872 -7.522 4.614 1.00 0.00 H new ATOM 0 HA VAL A 34 0.689 -6.257 6.132 1.00 0.00 H new ATOM 0 HB VAL A 34 2.180 -4.162 5.397 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.382 -4.342 7.537 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.668 -4.793 7.701 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.920 -6.057 7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.577 -4.727 5.410 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.165 -6.458 5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.734 -5.457 4.024 1.00 0.00 H new ATOM 490 N TYR A 35 -0.144 -4.747 4.185 1.00 0.00 N ATOM 491 CA TYR A 35 -0.863 -4.215 3.034 1.00 0.00 C ATOM 492 C TYR A 35 -1.381 -2.809 3.318 1.00 0.00 C ATOM 493 O TYR A 35 -1.327 -2.333 4.451 1.00 0.00 O ATOM 494 CB TYR A 35 -2.028 -5.135 2.664 1.00 0.00 C ATOM 495 CG TYR A 35 -3.028 -5.324 3.783 1.00 0.00 C ATOM 496 CD1 TYR A 35 -3.785 -4.258 4.252 1.00 0.00 C ATOM 497 CD2 TYR A 35 -3.217 -6.570 4.369 1.00 0.00 C ATOM 498 CE1 TYR A 35 -4.700 -4.426 5.274 1.00 0.00 C ATOM 499 CE2 TYR A 35 -4.130 -6.748 5.390 1.00 0.00 C ATOM 500 CZ TYR A 35 -4.868 -5.673 5.840 1.00 0.00 C ATOM 501 OH TYR A 35 -5.779 -5.845 6.857 1.00 0.00 O ATOM 0 H TYR A 35 -0.395 -4.317 5.075 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.168 -4.164 2.195 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.542 -4.726 1.794 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.633 -6.108 2.372 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.656 -3.281 3.810 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.640 -7.414 4.020 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.280 -3.586 5.627 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.265 -7.723 5.834 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.357 -6.609 6.652 1.00 0.00 H new ATOM 511 N MET A 36 -1.884 -2.150 2.279 1.00 0.00 N ATOM 512 CA MET A 36 -2.415 -0.798 2.416 1.00 0.00 C ATOM 513 C MET A 36 -3.826 -0.824 2.995 1.00 0.00 C ATOM 514 O MET A 36 -4.635 -1.686 2.649 1.00 0.00 O ATOM 515 CB MET A 36 -2.419 -0.089 1.061 1.00 0.00 C ATOM 516 CG MET A 36 -1.110 -0.224 0.300 1.00 0.00 C ATOM 517 SD MET A 36 0.279 0.527 1.170 1.00 0.00 S ATOM 518 CE MET A 36 1.633 0.101 0.077 1.00 0.00 C ATOM 0 H MET A 36 -1.935 -2.530 1.334 1.00 0.00 H new ATOM 0 HA MET A 36 -1.770 -0.249 3.102 1.00 0.00 H new ATOM 0 HB2 MET A 36 -3.227 -0.493 0.451 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.633 0.969 1.214 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.900 -1.280 0.131 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.214 0.241 -0.680 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.565 0.497 0.480 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.706 -0.983 -0.006 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.453 0.530 -0.909 1.00 0.00 H new ATOM 528 N THR A 37 -4.116 0.126 3.878 1.00 0.00 N ATOM 529 CA THR A 37 -5.429 0.212 4.505 1.00 0.00 C ATOM 530 C THR A 37 -6.031 1.602 4.335 1.00 0.00 C ATOM 531 O THR A 37 -7.248 1.753 4.227 1.00 0.00 O ATOM 532 CB THR A 37 -5.357 -0.124 6.007 1.00 0.00 C ATOM 533 OG1 THR A 37 -6.666 -0.066 6.585 1.00 0.00 O ATOM 534 CG2 THR A 37 -4.433 0.842 6.733 1.00 0.00 C ATOM 0 H THR A 37 -3.459 0.847 4.175 1.00 0.00 H new ATOM 0 HA THR A 37 -6.065 -0.519 4.006 1.00 0.00 H new ATOM 0 HB THR A 37 -4.958 -1.133 6.113 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.612 -0.282 7.539 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.398 0.585 7.792 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.431 0.774 6.310 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.807 1.859 6.618 1.00 0.00 H new ATOM 542 N ASP A 38 -5.171 2.614 4.311 1.00 0.00 N ATOM 543 CA ASP A 38 -5.618 3.993 4.151 1.00 0.00 C ATOM 544 C ASP A 38 -4.863 4.682 3.019 1.00 0.00 C ATOM 545 O ASP A 38 -3.642 4.829 3.074 1.00 0.00 O ATOM 546 CB ASP A 38 -5.425 4.768 5.456 1.00 0.00 C ATOM 547 CG ASP A 38 -6.228 6.054 5.489 1.00 0.00 C ATOM 548 OD1 ASP A 38 -7.296 6.103 4.844 1.00 0.00 O ATOM 549 OD2 ASP A 38 -5.789 7.011 6.161 1.00 0.00 O ATOM 0 H ASP A 38 -4.161 2.506 4.400 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.678 3.978 3.899 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.718 4.138 6.296 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.368 5.000 5.585 1.00 0.00 H new ATOM 554 N ILE A 39 -5.597 5.100 1.994 1.00 0.00 N ATOM 555 CA ILE A 39 -4.996 5.773 0.849 1.00 0.00 C ATOM 556 C ILE A 39 -5.381 7.249 0.814 1.00 0.00 C ATOM 557 O ILE A 39 -6.556 7.593 0.685 1.00 0.00 O ATOM 558 CB ILE A 39 -5.417 5.113 -0.477 1.00 0.00 C ATOM 559 CG1 ILE A 39 -5.117 3.613 -0.443 1.00 0.00 C ATOM 560 CG2 ILE A 39 -4.706 5.775 -1.648 1.00 0.00 C ATOM 561 CD1 ILE A 39 -3.645 3.289 -0.570 1.00 0.00 C ATOM 0 H ILE A 39 -6.609 4.985 1.933 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.916 5.684 0.963 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.491 5.247 -0.607 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.493 3.196 0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.660 3.124 -1.252 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.014 5.297 -2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.966 6.833 -1.680 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.628 5.670 -1.526 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.506 2.208 -0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.268 3.676 -1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.099 3.749 0.253 1.00 0.00 H new ATOM 573 N THR A 40 -4.381 8.118 0.928 1.00 0.00 N ATOM 574 CA THR A 40 -4.614 9.557 0.909 1.00 0.00 C ATOM 575 C THR A 40 -5.076 10.021 -0.468 1.00 0.00 C ATOM 576 O THR A 40 -4.453 9.729 -1.489 1.00 0.00 O ATOM 577 CB THR A 40 -3.345 10.336 1.302 1.00 0.00 C ATOM 578 OG1 THR A 40 -2.848 9.861 2.558 1.00 0.00 O ATOM 579 CG2 THR A 40 -3.634 11.827 1.397 1.00 0.00 C ATOM 0 H THR A 40 -3.403 7.850 1.034 1.00 0.00 H new ATOM 0 HA THR A 40 -5.397 9.760 1.639 1.00 0.00 H new ATOM 0 HB THR A 40 -2.593 10.176 0.530 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.040 10.360 2.800 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.723 12.357 1.676 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.985 12.192 0.432 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.401 12.002 2.152 1.00 0.00 H new ATOM 587 N PRO A 41 -6.193 10.762 -0.499 1.00 0.00 N ATOM 588 CA PRO A 41 -6.762 11.284 -1.746 1.00 0.00 C ATOM 589 C PRO A 41 -5.900 12.380 -2.362 1.00 0.00 C ATOM 590 O PRO A 41 -5.532 13.344 -1.691 1.00 0.00 O ATOM 591 CB PRO A 41 -8.115 11.850 -1.308 1.00 0.00 C ATOM 592 CG PRO A 41 -7.941 12.176 0.135 1.00 0.00 C ATOM 593 CD PRO A 41 -6.987 11.149 0.679 1.00 0.00 C ATOM 0 HA PRO A 41 -6.835 10.515 -2.515 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.379 12.736 -1.885 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.914 11.124 -1.456 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.544 13.183 0.263 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.895 12.140 0.661 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.359 11.562 1.468 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.515 10.296 1.105 1.00 0.00 H new ATOM 601 N GLN A 42 -5.582 12.226 -3.644 1.00 0.00 N ATOM 602 CA GLN A 42 -4.762 13.204 -4.350 1.00 0.00 C ATOM 603 C GLN A 42 -3.319 13.161 -3.858 1.00 0.00 C ATOM 604 O GLN A 42 -2.651 14.191 -3.775 1.00 0.00 O ATOM 605 CB GLN A 42 -5.336 14.610 -4.164 1.00 0.00 C ATOM 606 CG GLN A 42 -4.855 15.605 -5.208 1.00 0.00 C ATOM 607 CD GLN A 42 -5.420 16.996 -4.992 1.00 0.00 C ATOM 608 OE1 GLN A 42 -6.570 17.154 -4.580 1.00 0.00 O ATOM 609 NE2 GLN A 42 -4.613 18.013 -5.269 1.00 0.00 N ATOM 0 H GLN A 42 -5.879 11.434 -4.214 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.772 12.952 -5.411 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.424 14.557 -4.198 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.066 14.976 -3.173 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.766 15.652 -5.186 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.139 15.252 -6.199 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.667 17.836 -5.608 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.938 18.971 -5.143 1.00 0.00 H new ATOM 618 N GLY A 43 -2.845 11.963 -3.533 1.00 0.00 N ATOM 619 CA GLY A 43 -1.484 11.809 -3.053 1.00 0.00 C ATOM 620 C GLY A 43 -0.617 11.017 -4.012 1.00 0.00 C ATOM 621 O GLY A 43 -1.045 10.686 -5.118 1.00 0.00 O ATOM 0 H GLY A 43 -3.379 11.096 -3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.043 12.794 -2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.498 11.310 -2.084 1.00 0.00 H new ATOM 625 N VAL A 44 0.606 10.714 -3.589 1.00 0.00 N ATOM 626 CA VAL A 44 1.536 9.956 -4.418 1.00 0.00 C ATOM 627 C VAL A 44 0.973 8.581 -4.759 1.00 0.00 C ATOM 628 O VAL A 44 0.909 8.197 -5.926 1.00 0.00 O ATOM 629 CB VAL A 44 2.898 9.783 -3.720 1.00 0.00 C ATOM 630 CG1 VAL A 44 3.898 9.124 -4.656 1.00 0.00 C ATOM 631 CG2 VAL A 44 3.418 11.126 -3.229 1.00 0.00 C ATOM 0 H VAL A 44 0.976 10.982 -2.677 1.00 0.00 H new ATOM 0 HA VAL A 44 1.677 10.525 -5.337 1.00 0.00 H new ATOM 0 HB VAL A 44 2.764 9.133 -2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.854 9.010 -4.145 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.526 8.143 -4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.031 9.745 -5.542 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.381 10.986 -2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.537 11.802 -4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.709 11.554 -2.521 1.00 0.00 H new ATOM 641 N ALA A 45 0.566 7.843 -3.731 1.00 0.00 N ATOM 642 CA ALA A 45 0.007 6.511 -3.922 1.00 0.00 C ATOM 643 C ALA A 45 -1.247 6.561 -4.788 1.00 0.00 C ATOM 644 O ALA A 45 -1.289 5.977 -5.871 1.00 0.00 O ATOM 645 CB ALA A 45 -0.304 5.871 -2.577 1.00 0.00 C ATOM 0 H ALA A 45 0.613 8.145 -2.758 1.00 0.00 H new ATOM 0 HA ALA A 45 0.750 5.903 -4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.721 4.876 -2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.612 5.792 -1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.026 6.486 -2.040 1.00 0.00 H new ATOM 651 N MET A 46 -2.268 7.261 -4.304 1.00 0.00 N ATOM 652 CA MET A 46 -3.523 7.387 -5.035 1.00 0.00 C ATOM 653 C MET A 46 -3.266 7.629 -6.519 1.00 0.00 C ATOM 654 O MET A 46 -4.071 7.247 -7.369 1.00 0.00 O ATOM 655 CB MET A 46 -4.362 8.529 -4.458 1.00 0.00 C ATOM 656 CG MET A 46 -5.733 8.661 -5.102 1.00 0.00 C ATOM 657 SD MET A 46 -6.694 7.139 -5.008 1.00 0.00 S ATOM 658 CE MET A 46 -8.014 7.639 -3.905 1.00 0.00 C ATOM 0 H MET A 46 -2.251 7.749 -3.409 1.00 0.00 H new ATOM 0 HA MET A 46 -4.072 6.452 -4.927 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.486 8.372 -3.387 1.00 0.00 H new ATOM 0 HB3 MET A 46 -3.819 9.466 -4.582 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.284 9.465 -4.613 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.613 8.946 -6.147 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.694 6.802 -3.748 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.592 7.947 -2.949 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.561 8.473 -4.346 1.00 0.00 H new ATOM 668 N ARG A 47 -2.140 8.266 -6.824 1.00 0.00 N ATOM 669 CA ARG A 47 -1.778 8.560 -8.205 1.00 0.00 C ATOM 670 C ARG A 47 -0.949 7.427 -8.803 1.00 0.00 C ATOM 671 O ARG A 47 -1.006 7.172 -10.005 1.00 0.00 O ATOM 672 CB ARG A 47 -0.996 9.873 -8.281 1.00 0.00 C ATOM 673 CG ARG A 47 -0.716 10.333 -9.702 1.00 0.00 C ATOM 674 CD ARG A 47 -1.845 11.197 -10.242 1.00 0.00 C ATOM 675 NE ARG A 47 -1.469 11.882 -11.476 1.00 0.00 N ATOM 676 CZ ARG A 47 -0.640 12.919 -11.518 1.00 0.00 C ATOM 677 NH1 ARG A 47 -0.104 13.389 -10.400 1.00 0.00 N ATOM 678 NH2 ARG A 47 -0.346 13.488 -12.680 1.00 0.00 N ATOM 0 H ARG A 47 -1.463 8.588 -6.133 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.697 8.658 -8.782 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.555 10.650 -7.760 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.050 9.754 -7.754 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.217 10.896 -9.726 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.581 9.464 -10.347 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.721 10.575 -10.425 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.129 11.934 -9.491 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.865 11.546 -12.354 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.328 12.954 -9.505 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.532 14.185 -10.435 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.757 13.129 -13.542 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.291 14.284 -12.711 1.00 0.00 H new ATOM 692 N ALA A 48 -0.180 6.752 -7.955 1.00 0.00 N ATOM 693 CA ALA A 48 0.658 5.646 -8.399 1.00 0.00 C ATOM 694 C ALA A 48 -0.189 4.484 -8.907 1.00 0.00 C ATOM 695 O ALA A 48 0.300 3.615 -9.627 1.00 0.00 O ATOM 696 CB ALA A 48 1.567 5.185 -7.269 1.00 0.00 C ATOM 0 H ALA A 48 -0.120 6.952 -6.957 1.00 0.00 H new ATOM 0 HA ALA A 48 1.275 6.000 -9.225 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.187 4.358 -7.615 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.205 6.011 -6.956 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.960 4.855 -6.426 1.00 0.00 H new ATOM 702 N GLY A 49 -1.462 4.475 -8.524 1.00 0.00 N ATOM 703 CA GLY A 49 -2.357 3.414 -8.949 1.00 0.00 C ATOM 704 C GLY A 49 -2.545 2.352 -7.884 1.00 0.00 C ATOM 705 O GLY A 49 -2.897 1.212 -8.188 1.00 0.00 O ATOM 0 H GLY A 49 -1.890 5.183 -7.927 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.326 3.842 -9.206 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.963 2.951 -9.854 1.00 0.00 H new ATOM 709 N VAL A 50 -2.309 2.726 -6.630 1.00 0.00 N ATOM 710 CA VAL A 50 -2.453 1.798 -5.515 1.00 0.00 C ATOM 711 C VAL A 50 -3.732 2.074 -4.732 1.00 0.00 C ATOM 712 O VAL A 50 -4.067 3.227 -4.456 1.00 0.00 O ATOM 713 CB VAL A 50 -1.250 1.879 -4.557 1.00 0.00 C ATOM 714 CG1 VAL A 50 -1.121 3.280 -3.980 1.00 0.00 C ATOM 715 CG2 VAL A 50 -1.383 0.846 -3.448 1.00 0.00 C ATOM 0 H VAL A 50 -2.017 3.666 -6.361 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.500 0.796 -5.942 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.343 1.659 -5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.266 3.318 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.977 3.995 -4.790 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.028 3.532 -3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.525 0.917 -2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.297 1.032 -2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.422 -0.152 -3.884 1.00 0.00 H new ATOM 725 N LEU A 51 -4.443 1.010 -4.377 1.00 0.00 N ATOM 726 CA LEU A 51 -5.687 1.137 -3.624 1.00 0.00 C ATOM 727 C LEU A 51 -5.615 0.353 -2.318 1.00 0.00 C ATOM 728 O LEU A 51 -4.823 -0.579 -2.185 1.00 0.00 O ATOM 729 CB LEU A 51 -6.867 0.646 -4.464 1.00 0.00 C ATOM 730 CG LEU A 51 -6.707 -0.734 -5.104 1.00 0.00 C ATOM 731 CD1 LEU A 51 -7.025 -1.829 -4.097 1.00 0.00 C ATOM 732 CD2 LEU A 51 -7.598 -0.860 -6.331 1.00 0.00 C ATOM 0 H LEU A 51 -4.180 0.050 -4.598 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.833 2.191 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.755 0.631 -3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.051 1.372 -5.256 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.670 -0.849 -5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.906 -2.804 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.345 -1.752 -3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.052 -1.717 -3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.471 -1.848 -6.773 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.640 -0.724 -6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.323 -0.098 -7.060 1.00 0.00 H new ATOM 744 N ALA A 52 -6.450 0.735 -1.358 1.00 0.00 N ATOM 745 CA ALA A 52 -6.485 0.065 -0.064 1.00 0.00 C ATOM 746 C ALA A 52 -6.827 -1.413 -0.220 1.00 0.00 C ATOM 747 O ALA A 52 -7.345 -1.834 -1.254 1.00 0.00 O ATOM 748 CB ALA A 52 -7.487 0.746 0.857 1.00 0.00 C ATOM 0 H ALA A 52 -7.112 1.505 -1.452 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.492 0.137 0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.502 0.235 1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.198 1.787 1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.480 0.705 0.409 1.00 0.00 H new ATOM 754 N ASP A 53 -6.533 -2.195 0.812 1.00 0.00 N ATOM 755 CA ASP A 53 -6.809 -3.627 0.789 1.00 0.00 C ATOM 756 C ASP A 53 -6.032 -4.313 -0.330 1.00 0.00 C ATOM 757 O ASP A 53 -6.599 -5.066 -1.122 1.00 0.00 O ATOM 758 CB ASP A 53 -8.308 -3.876 0.613 1.00 0.00 C ATOM 759 CG ASP A 53 -9.132 -3.264 1.729 1.00 0.00 C ATOM 760 OD1 ASP A 53 -8.723 -3.385 2.903 1.00 0.00 O ATOM 761 OD2 ASP A 53 -10.185 -2.664 1.429 1.00 0.00 O ATOM 0 H ASP A 53 -6.104 -1.862 1.675 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.487 -4.049 1.741 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.632 -3.463 -0.342 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.493 -4.950 0.576 1.00 0.00 H new ATOM 766 N ASP A 54 -4.732 -4.047 -0.389 1.00 0.00 N ATOM 767 CA ASP A 54 -3.876 -4.639 -1.411 1.00 0.00 C ATOM 768 C ASP A 54 -2.704 -5.380 -0.776 1.00 0.00 C ATOM 769 O ASP A 54 -1.780 -4.762 -0.246 1.00 0.00 O ATOM 770 CB ASP A 54 -3.359 -3.558 -2.362 1.00 0.00 C ATOM 771 CG ASP A 54 -4.300 -3.309 -3.524 1.00 0.00 C ATOM 772 OD1 ASP A 54 -5.135 -4.193 -3.810 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.202 -2.232 -4.147 1.00 0.00 O ATOM 0 H ASP A 54 -4.248 -3.425 0.259 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.470 -5.356 -1.978 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.216 -2.630 -1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.383 -3.853 -2.746 1.00 0.00 H new ATOM 778 N HIS A 55 -2.748 -6.707 -0.834 1.00 0.00 N ATOM 779 CA HIS A 55 -1.689 -7.532 -0.264 1.00 0.00 C ATOM 780 C HIS A 55 -0.354 -7.250 -0.945 1.00 0.00 C ATOM 781 O HIS A 55 -0.245 -7.309 -2.170 1.00 0.00 O ATOM 782 CB HIS A 55 -2.040 -9.014 -0.399 1.00 0.00 C ATOM 783 CG HIS A 55 -1.383 -9.882 0.630 1.00 0.00 C ATOM 784 ND1 HIS A 55 -1.811 -11.159 0.922 1.00 0.00 N ATOM 785 CD2 HIS A 55 -0.320 -9.649 1.436 1.00 0.00 C ATOM 786 CE1 HIS A 55 -1.042 -11.674 1.865 1.00 0.00 C ATOM 787 NE2 HIS A 55 -0.129 -10.778 2.194 1.00 0.00 N ATOM 0 H HIS A 55 -3.505 -7.234 -1.270 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.597 -7.282 0.793 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.121 -9.131 -0.324 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -1.750 -9.359 -1.392 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -2.598 -11.633 0.479 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.268 -8.744 1.475 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.143 -12.660 2.294 1.00 0.00 H new ATOM 796 N LEU A 56 0.660 -6.941 -0.144 1.00 0.00 N ATOM 797 CA LEU A 56 1.989 -6.648 -0.669 1.00 0.00 C ATOM 798 C LEU A 56 2.626 -7.898 -1.266 1.00 0.00 C ATOM 799 O LEU A 56 2.564 -8.979 -0.680 1.00 0.00 O ATOM 800 CB LEU A 56 2.883 -6.084 0.436 1.00 0.00 C ATOM 801 CG LEU A 56 2.876 -4.563 0.595 1.00 0.00 C ATOM 802 CD1 LEU A 56 3.877 -4.133 1.657 1.00 0.00 C ATOM 803 CD2 LEU A 56 3.182 -3.887 -0.734 1.00 0.00 C ATOM 0 H LEU A 56 0.587 -6.887 0.872 1.00 0.00 H new ATOM 0 HA LEU A 56 1.885 -5.903 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.580 -6.530 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.907 -6.405 0.246 1.00 0.00 H new ATOM 0 HG LEU A 56 1.881 -4.254 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.858 -3.048 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.614 -4.589 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.877 -4.453 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.173 -2.805 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.165 -4.202 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.427 -4.170 -1.468 1.00 0.00 H new ATOM 815 N ILE A 57 3.240 -7.743 -2.434 1.00 0.00 N ATOM 816 CA ILE A 57 3.892 -8.859 -3.108 1.00 0.00 C ATOM 817 C ILE A 57 5.410 -8.727 -3.048 1.00 0.00 C ATOM 818 O ILE A 57 6.116 -9.697 -2.774 1.00 0.00 O ATOM 819 CB ILE A 57 3.455 -8.960 -4.582 1.00 0.00 C ATOM 820 CG1 ILE A 57 1.929 -9.009 -4.682 1.00 0.00 C ATOM 821 CG2 ILE A 57 4.074 -10.186 -5.235 1.00 0.00 C ATOM 822 CD1 ILE A 57 1.316 -10.203 -3.985 1.00 0.00 C ATOM 0 H ILE A 57 3.300 -6.856 -2.933 1.00 0.00 H new ATOM 0 HA ILE A 57 3.587 -9.765 -2.584 1.00 0.00 H new ATOM 0 HB ILE A 57 3.806 -8.074 -5.111 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.515 -8.096 -4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.642 -9.026 -5.733 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.756 -10.244 -6.276 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.161 -10.112 -5.191 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.750 -11.082 -4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.232 -10.173 -4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.701 -11.121 -4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.572 -10.177 -2.926 1.00 0.00 H new ATOM 834 N GLU A 58 5.904 -7.520 -3.305 1.00 0.00 N ATOM 835 CA GLU A 58 7.339 -7.262 -3.278 1.00 0.00 C ATOM 836 C GLU A 58 7.624 -5.765 -3.365 1.00 0.00 C ATOM 837 O GLU A 58 6.939 -5.031 -4.077 1.00 0.00 O ATOM 838 CB GLU A 58 8.033 -7.991 -4.430 1.00 0.00 C ATOM 839 CG GLU A 58 7.615 -7.495 -5.804 1.00 0.00 C ATOM 840 CD GLU A 58 8.251 -8.288 -6.929 1.00 0.00 C ATOM 841 OE1 GLU A 58 8.449 -9.509 -6.758 1.00 0.00 O ATOM 842 OE2 GLU A 58 8.552 -7.686 -7.982 1.00 0.00 O ATOM 0 H GLU A 58 5.333 -6.707 -3.534 1.00 0.00 H new ATOM 0 HA GLU A 58 7.731 -7.636 -2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.112 -7.876 -4.324 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.817 -9.057 -4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.530 -7.552 -5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.888 -6.445 -5.905 1.00 0.00 H new ATOM 849 N VAL A 59 8.640 -5.319 -2.633 1.00 0.00 N ATOM 850 CA VAL A 59 9.017 -3.910 -2.627 1.00 0.00 C ATOM 851 C VAL A 59 10.397 -3.708 -3.243 1.00 0.00 C ATOM 852 O VAL A 59 11.361 -4.370 -2.863 1.00 0.00 O ATOM 853 CB VAL A 59 9.016 -3.335 -1.198 1.00 0.00 C ATOM 854 CG1 VAL A 59 9.627 -1.942 -1.182 1.00 0.00 C ATOM 855 CG2 VAL A 59 7.604 -3.314 -0.634 1.00 0.00 C ATOM 0 H VAL A 59 9.217 -5.913 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 59 8.274 -3.381 -3.224 1.00 0.00 H new ATOM 0 HB VAL A 59 9.626 -3.980 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.618 -1.552 -0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.655 -1.991 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.047 -1.283 -1.828 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.622 -2.905 0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.969 -2.693 -1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.208 -4.329 -0.607 1.00 0.00 H new ATOM 865 N ASN A 60 10.483 -2.787 -4.198 1.00 0.00 N ATOM 866 CA ASN A 60 11.745 -2.497 -4.868 1.00 0.00 C ATOM 867 C ASN A 60 12.435 -3.784 -5.310 1.00 0.00 C ATOM 868 O ASN A 60 13.662 -3.869 -5.326 1.00 0.00 O ATOM 869 CB ASN A 60 12.668 -1.703 -3.941 1.00 0.00 C ATOM 870 CG ASN A 60 12.159 -0.298 -3.682 1.00 0.00 C ATOM 871 OD1 ASN A 60 10.969 -0.092 -3.440 1.00 0.00 O ATOM 872 ND2 ASN A 60 13.059 0.676 -3.732 1.00 0.00 N ATOM 0 H ASN A 60 9.694 -2.229 -4.525 1.00 0.00 H new ATOM 0 HA ASN A 60 11.528 -1.899 -5.753 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.767 -2.231 -2.993 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.663 -1.650 -4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.775 1.642 -3.566 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.035 0.459 -3.936 1.00 0.00 H new ATOM 879 N GLY A 61 11.636 -4.784 -5.670 1.00 0.00 N ATOM 880 CA GLY A 61 12.186 -6.053 -6.108 1.00 0.00 C ATOM 881 C GLY A 61 12.587 -6.942 -4.948 1.00 0.00 C ATOM 882 O GLY A 61 13.527 -7.729 -5.058 1.00 0.00 O ATOM 0 H GLY A 61 10.617 -4.737 -5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.450 -6.572 -6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 61 13.056 -5.870 -6.739 1.00 0.00 H new ATOM 886 N GLU A 62 11.874 -6.816 -3.834 1.00 0.00 N ATOM 887 CA GLU A 62 12.163 -7.614 -2.648 1.00 0.00 C ATOM 888 C GLU A 62 10.889 -8.245 -2.093 1.00 0.00 C ATOM 889 O GLU A 62 10.191 -7.644 -1.278 1.00 0.00 O ATOM 890 CB GLU A 62 12.827 -6.750 -1.574 1.00 0.00 C ATOM 891 CG GLU A 62 14.223 -6.281 -1.948 1.00 0.00 C ATOM 892 CD GLU A 62 14.650 -5.047 -1.177 1.00 0.00 C ATOM 893 OE1 GLU A 62 15.234 -5.204 -0.084 1.00 0.00 O ATOM 894 OE2 GLU A 62 14.400 -3.925 -1.665 1.00 0.00 O ATOM 0 H GLU A 62 11.092 -6.169 -3.727 1.00 0.00 H new ATOM 0 HA GLU A 62 12.847 -8.412 -2.936 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.200 -5.880 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.880 -7.317 -0.645 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.935 -7.085 -1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.256 -6.067 -3.016 1.00 0.00 H new ATOM 901 N ASN A 63 10.594 -9.461 -2.541 1.00 0.00 N ATOM 902 CA ASN A 63 9.404 -10.174 -2.091 1.00 0.00 C ATOM 903 C ASN A 63 9.114 -9.875 -0.623 1.00 0.00 C ATOM 904 O ASN A 63 9.955 -10.103 0.246 1.00 0.00 O ATOM 905 CB ASN A 63 9.581 -11.681 -2.291 1.00 0.00 C ATOM 906 CG ASN A 63 8.347 -12.466 -1.888 1.00 0.00 C ATOM 907 OD1 ASN A 63 8.377 -13.246 -0.937 1.00 0.00 O ATOM 908 ND2 ASN A 63 7.253 -12.261 -2.613 1.00 0.00 N ATOM 0 H ASN A 63 11.163 -9.973 -3.215 1.00 0.00 H new ATOM 0 HA ASN A 63 8.558 -9.832 -2.687 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.810 -11.882 -3.338 1.00 0.00 H new ATOM 0 HB3 ASN A 63 10.434 -12.025 -1.706 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.392 -12.760 -2.389 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.274 -11.604 -3.393 1.00 0.00 H new ATOM 915 N VAL A 64 7.917 -9.363 -0.355 1.00 0.00 N ATOM 916 CA VAL A 64 7.514 -9.034 1.007 1.00 0.00 C ATOM 917 C VAL A 64 6.170 -9.666 1.350 1.00 0.00 C ATOM 918 O VAL A 64 5.519 -9.276 2.319 1.00 0.00 O ATOM 919 CB VAL A 64 7.420 -7.510 1.212 1.00 0.00 C ATOM 920 CG1 VAL A 64 8.760 -6.849 0.928 1.00 0.00 C ATOM 921 CG2 VAL A 64 6.329 -6.921 0.331 1.00 0.00 C ATOM 0 H VAL A 64 7.209 -9.167 -1.063 1.00 0.00 H new ATOM 0 HA VAL A 64 8.281 -9.435 1.670 1.00 0.00 H new ATOM 0 HB VAL A 64 7.160 -7.316 2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.674 -5.773 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.514 -7.251 1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.053 -7.049 -0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.276 -5.844 0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.557 -7.124 -0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.371 -7.373 0.588 1.00 0.00 H new ATOM 931 N GLU A 65 5.760 -10.644 0.549 1.00 0.00 N ATOM 932 CA GLU A 65 4.492 -11.330 0.769 1.00 0.00 C ATOM 933 C GLU A 65 4.375 -11.808 2.214 1.00 0.00 C ATOM 934 O GLU A 65 3.463 -11.409 2.938 1.00 0.00 O ATOM 935 CB GLU A 65 4.358 -12.519 -0.185 1.00 0.00 C ATOM 936 CG GLU A 65 3.700 -12.166 -1.508 1.00 0.00 C ATOM 937 CD GLU A 65 3.093 -13.373 -2.198 1.00 0.00 C ATOM 938 OE1 GLU A 65 1.980 -13.782 -1.806 1.00 0.00 O ATOM 939 OE2 GLU A 65 3.731 -13.908 -3.129 1.00 0.00 O ATOM 0 H GLU A 65 6.287 -10.979 -0.258 1.00 0.00 H new ATOM 0 HA GLU A 65 3.687 -10.622 0.572 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.348 -12.931 -0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.777 -13.302 0.303 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.923 -11.422 -1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.439 -11.709 -2.166 1.00 0.00 H new ATOM 946 N ASP A 66 5.304 -12.664 2.624 1.00 0.00 N ATOM 947 CA ASP A 66 5.306 -13.196 3.982 1.00 0.00 C ATOM 948 C ASP A 66 6.298 -12.440 4.861 1.00 0.00 C ATOM 949 O ASP A 66 6.845 -12.993 5.814 1.00 0.00 O ATOM 950 CB ASP A 66 5.651 -14.686 3.968 1.00 0.00 C ATOM 951 CG ASP A 66 4.889 -15.447 2.901 1.00 0.00 C ATOM 952 OD1 ASP A 66 3.730 -15.833 3.162 1.00 0.00 O ATOM 953 OD2 ASP A 66 5.451 -15.658 1.806 1.00 0.00 O ATOM 0 H ASP A 66 6.065 -13.004 2.036 1.00 0.00 H new ATOM 0 HA ASP A 66 4.307 -13.066 4.398 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.721 -14.806 3.801 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.430 -15.116 4.945 1.00 0.00 H new ATOM 958 N ALA A 67 6.524 -11.172 4.532 1.00 0.00 N ATOM 959 CA ALA A 67 7.449 -10.340 5.291 1.00 0.00 C ATOM 960 C ALA A 67 6.714 -9.532 6.355 1.00 0.00 C ATOM 961 O ALA A 67 5.629 -9.005 6.108 1.00 0.00 O ATOM 962 CB ALA A 67 8.214 -9.414 4.358 1.00 0.00 C ATOM 0 H ALA A 67 6.079 -10.699 3.745 1.00 0.00 H new ATOM 0 HA ALA A 67 8.158 -10.996 5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.901 -8.799 4.939 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.778 -10.007 3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.512 -8.771 3.827 1.00 0.00 H new ATOM 968 N SER A 68 7.311 -9.438 7.539 1.00 0.00 N ATOM 969 CA SER A 68 6.710 -8.698 8.642 1.00 0.00 C ATOM 970 C SER A 68 6.765 -7.196 8.382 1.00 0.00 C ATOM 971 O SER A 68 7.462 -6.736 7.477 1.00 0.00 O ATOM 972 CB SER A 68 7.424 -9.027 9.954 1.00 0.00 C ATOM 973 OG SER A 68 7.401 -10.420 10.212 1.00 0.00 O ATOM 0 H SER A 68 8.211 -9.865 7.759 1.00 0.00 H new ATOM 0 HA SER A 68 5.665 -8.997 8.721 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.456 -8.680 9.907 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.946 -8.494 10.776 1.00 0.00 H new ATOM 0 HG SER A 68 7.865 -10.604 11.055 1.00 0.00 H new ATOM 979 N HIS A 69 6.025 -6.435 9.183 1.00 0.00 N ATOM 980 CA HIS A 69 5.989 -4.984 9.041 1.00 0.00 C ATOM 981 C HIS A 69 7.368 -4.380 9.289 1.00 0.00 C ATOM 982 O HIS A 69 7.836 -3.541 8.519 1.00 0.00 O ATOM 983 CB HIS A 69 4.973 -4.381 10.010 1.00 0.00 C ATOM 984 CG HIS A 69 4.482 -3.027 9.598 1.00 0.00 C ATOM 985 ND1 HIS A 69 3.256 -2.522 9.978 1.00 0.00 N ATOM 986 CD2 HIS A 69 5.061 -2.070 8.836 1.00 0.00 C ATOM 987 CE1 HIS A 69 3.102 -1.315 9.465 1.00 0.00 C ATOM 988 NE2 HIS A 69 4.183 -1.016 8.768 1.00 0.00 N ATOM 0 H HIS A 69 5.442 -6.799 9.937 1.00 0.00 H new ATOM 0 HA HIS A 69 5.688 -4.750 8.020 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.122 -5.056 10.097 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.425 -4.309 10.999 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.033 -2.125 8.368 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.238 -0.680 9.594 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.340 -0.145 8.262 1.00 0.00 H new ATOM 997 N GLU A 70 8.012 -4.812 10.369 1.00 0.00 N ATOM 998 CA GLU A 70 9.337 -4.311 10.718 1.00 0.00 C ATOM 999 C GLU A 70 10.342 -4.614 9.611 1.00 0.00 C ATOM 1000 O GLU A 70 11.425 -4.031 9.566 1.00 0.00 O ATOM 1001 CB GLU A 70 9.809 -4.931 12.035 1.00 0.00 C ATOM 1002 CG GLU A 70 9.200 -4.282 13.266 1.00 0.00 C ATOM 1003 CD GLU A 70 10.008 -3.099 13.762 1.00 0.00 C ATOM 1004 OE1 GLU A 70 9.749 -1.968 13.299 1.00 0.00 O ATOM 1005 OE2 GLU A 70 10.899 -3.303 14.613 1.00 0.00 O ATOM 0 H GLU A 70 7.639 -5.506 11.016 1.00 0.00 H new ATOM 0 HA GLU A 70 9.270 -3.230 10.837 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.563 -5.993 12.035 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.895 -4.855 12.094 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.187 -3.954 13.035 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.122 -5.023 14.062 1.00 0.00 H new ATOM 1012 N GLU A 71 9.975 -5.530 8.721 1.00 0.00 N ATOM 1013 CA GLU A 71 10.846 -5.912 7.615 1.00 0.00 C ATOM 1014 C GLU A 71 10.664 -4.968 6.429 1.00 0.00 C ATOM 1015 O GLU A 71 11.624 -4.629 5.738 1.00 0.00 O ATOM 1016 CB GLU A 71 10.559 -7.351 7.184 1.00 0.00 C ATOM 1017 CG GLU A 71 11.066 -8.393 8.167 1.00 0.00 C ATOM 1018 CD GLU A 71 11.205 -9.767 7.540 1.00 0.00 C ATOM 1019 OE1 GLU A 71 10.193 -10.290 7.028 1.00 0.00 O ATOM 1020 OE2 GLU A 71 12.324 -10.320 7.563 1.00 0.00 O ATOM 0 H GLU A 71 9.081 -6.021 8.744 1.00 0.00 H new ATOM 0 HA GLU A 71 11.878 -5.843 7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.484 -7.476 7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.017 -7.528 6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.033 -8.077 8.559 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.382 -8.452 9.014 1.00 0.00 H new ATOM 1027 N VAL A 72 9.423 -4.549 6.199 1.00 0.00 N ATOM 1028 CA VAL A 72 9.114 -3.645 5.098 1.00 0.00 C ATOM 1029 C VAL A 72 9.473 -2.206 5.451 1.00 0.00 C ATOM 1030 O VAL A 72 10.262 -1.563 4.758 1.00 0.00 O ATOM 1031 CB VAL A 72 7.623 -3.713 4.718 1.00 0.00 C ATOM 1032 CG1 VAL A 72 7.302 -2.699 3.630 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.250 -5.119 4.274 1.00 0.00 C ATOM 0 H VAL A 72 8.616 -4.821 6.760 1.00 0.00 H new ATOM 0 HA VAL A 72 9.713 -3.967 4.246 1.00 0.00 H new ATOM 0 HB VAL A 72 7.030 -3.465 5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.244 -2.762 3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.530 -1.695 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.902 -2.912 2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.193 -5.149 4.009 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.849 -5.398 3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.440 -5.820 5.087 1.00 0.00 H new ATOM 1043 N VAL A 73 8.887 -1.705 6.534 1.00 0.00 N ATOM 1044 CA VAL A 73 9.146 -0.341 6.981 1.00 0.00 C ATOM 1045 C VAL A 73 10.592 0.060 6.713 1.00 0.00 C ATOM 1046 O VAL A 73 10.858 1.132 6.171 1.00 0.00 O ATOM 1047 CB VAL A 73 8.849 -0.178 8.484 1.00 0.00 C ATOM 1048 CG1 VAL A 73 9.306 -1.406 9.255 1.00 0.00 C ATOM 1049 CG2 VAL A 73 9.514 1.080 9.024 1.00 0.00 C ATOM 0 H VAL A 73 8.230 -2.223 7.118 1.00 0.00 H new ATOM 0 HA VAL A 73 8.481 0.310 6.414 1.00 0.00 H new ATOM 0 HB VAL A 73 7.772 -0.077 8.616 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.088 -1.272 10.315 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.779 -2.285 8.884 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.379 -1.542 9.120 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.294 1.180 10.087 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.592 1.011 8.881 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.132 1.951 8.491 1.00 0.00 H new ATOM 1059 N GLU A 74 11.522 -0.808 7.097 1.00 0.00 N ATOM 1060 CA GLU A 74 12.942 -0.543 6.898 1.00 0.00 C ATOM 1061 C GLU A 74 13.298 -0.572 5.414 1.00 0.00 C ATOM 1062 O GLU A 74 13.991 0.314 4.913 1.00 0.00 O ATOM 1063 CB GLU A 74 13.786 -1.569 7.656 1.00 0.00 C ATOM 1064 CG GLU A 74 14.111 -2.811 6.843 1.00 0.00 C ATOM 1065 CD GLU A 74 14.898 -3.838 7.634 1.00 0.00 C ATOM 1066 OE1 GLU A 74 14.705 -3.912 8.866 1.00 0.00 O ATOM 1067 OE2 GLU A 74 15.706 -4.567 7.022 1.00 0.00 O ATOM 0 H GLU A 74 11.318 -1.700 7.547 1.00 0.00 H new ATOM 0 HA GLU A 74 13.158 0.452 7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.717 -1.098 7.972 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.255 -1.866 8.561 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.184 -3.263 6.490 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.681 -2.523 5.960 1.00 0.00 H new ATOM 1074 N LYS A 75 12.820 -1.597 4.717 1.00 0.00 N ATOM 1075 CA LYS A 75 13.085 -1.743 3.291 1.00 0.00 C ATOM 1076 C LYS A 75 12.657 -0.494 2.527 1.00 0.00 C ATOM 1077 O LYS A 75 13.206 -0.182 1.470 1.00 0.00 O ATOM 1078 CB LYS A 75 12.354 -2.968 2.738 1.00 0.00 C ATOM 1079 CG LYS A 75 13.010 -4.287 3.108 1.00 0.00 C ATOM 1080 CD LYS A 75 12.076 -5.461 2.869 1.00 0.00 C ATOM 1081 CE LYS A 75 12.849 -6.733 2.556 1.00 0.00 C ATOM 1082 NZ LYS A 75 13.524 -7.284 3.763 1.00 0.00 N ATOM 0 H LYS A 75 12.246 -2.340 5.117 1.00 0.00 H new ATOM 0 HA LYS A 75 14.158 -1.878 3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.328 -2.966 3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.302 -2.890 1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.919 -4.419 2.522 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.307 -4.265 4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.455 -5.619 3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.403 -5.230 2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.168 -7.480 2.148 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.593 -6.526 1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.040 -8.150 3.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.192 -6.581 4.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.812 -7.506 4.488 1.00 0.00 H new ATOM 1096 N VAL A 76 11.674 0.218 3.069 1.00 0.00 N ATOM 1097 CA VAL A 76 11.174 1.434 2.439 1.00 0.00 C ATOM 1098 C VAL A 76 12.108 2.611 2.700 1.00 0.00 C ATOM 1099 O VAL A 76 12.670 3.190 1.770 1.00 0.00 O ATOM 1100 CB VAL A 76 9.764 1.789 2.946 1.00 0.00 C ATOM 1101 CG1 VAL A 76 9.267 3.069 2.290 1.00 0.00 C ATOM 1102 CG2 VAL A 76 8.801 0.640 2.689 1.00 0.00 C ATOM 0 H VAL A 76 11.208 -0.026 3.943 1.00 0.00 H new ATOM 0 HA VAL A 76 11.128 1.241 1.367 1.00 0.00 H new ATOM 0 HB VAL A 76 9.815 1.957 4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.269 3.304 2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.945 3.888 2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.230 2.933 1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.809 0.908 3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.752 0.439 1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.151 -0.251 3.210 1.00 0.00 H new ATOM 1112 N LYS A 77 12.269 2.961 3.972 1.00 0.00 N ATOM 1113 CA LYS A 77 13.136 4.068 4.357 1.00 0.00 C ATOM 1114 C LYS A 77 14.542 3.878 3.799 1.00 0.00 C ATOM 1115 O LYS A 77 15.254 4.848 3.537 1.00 0.00 O ATOM 1116 CB LYS A 77 13.193 4.191 5.881 1.00 0.00 C ATOM 1117 CG LYS A 77 13.494 2.880 6.587 1.00 0.00 C ATOM 1118 CD LYS A 77 12.901 2.850 7.986 1.00 0.00 C ATOM 1119 CE LYS A 77 13.227 4.120 8.756 1.00 0.00 C ATOM 1120 NZ LYS A 77 14.669 4.194 9.120 1.00 0.00 N ATOM 0 H LYS A 77 11.810 2.494 4.754 1.00 0.00 H new ATOM 0 HA LYS A 77 12.720 4.985 3.939 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.956 4.922 6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 77 12.240 4.578 6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.093 2.051 6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.573 2.737 6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.820 2.730 7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 77 13.286 1.986 8.527 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.960 4.988 8.154 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.621 4.161 9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.850 5.074 9.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 14.919 3.379 9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 15.246 4.181 8.255 1.00 0.00 H new ATOM 1134 N LYS A 78 14.937 2.622 3.618 1.00 0.00 N ATOM 1135 CA LYS A 78 16.258 2.304 3.088 1.00 0.00 C ATOM 1136 C LYS A 78 16.276 2.420 1.567 1.00 0.00 C ATOM 1137 O LYS A 78 17.158 3.061 0.995 1.00 0.00 O ATOM 1138 CB LYS A 78 16.671 0.891 3.506 1.00 0.00 C ATOM 1139 CG LYS A 78 16.992 0.764 4.985 1.00 0.00 C ATOM 1140 CD LYS A 78 17.870 -0.445 5.264 1.00 0.00 C ATOM 1141 CE LYS A 78 17.602 -1.021 6.646 1.00 0.00 C ATOM 1142 NZ LYS A 78 18.372 -0.307 7.703 1.00 0.00 N ATOM 0 H LYS A 78 14.361 1.808 3.831 1.00 0.00 H new ATOM 0 HA LYS A 78 16.969 3.021 3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.868 0.198 3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.544 0.590 2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.496 1.668 5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.066 0.681 5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.689 -1.210 4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.919 -0.160 5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.536 -0.956 6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.866 -2.079 6.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.162 -0.729 8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.390 -0.390 7.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.102 0.697 7.711 1.00 0.00 H new ATOM 1156 N SER A 79 15.297 1.798 0.918 1.00 0.00 N ATOM 1157 CA SER A 79 15.203 1.831 -0.537 1.00 0.00 C ATOM 1158 C SER A 79 15.670 3.177 -1.081 1.00 0.00 C ATOM 1159 O SER A 79 16.322 3.246 -2.123 1.00 0.00 O ATOM 1160 CB SER A 79 13.764 1.559 -0.982 1.00 0.00 C ATOM 1161 OG SER A 79 13.546 0.174 -1.185 1.00 0.00 O ATOM 0 H SER A 79 14.558 1.265 1.376 1.00 0.00 H new ATOM 0 HA SER A 79 15.853 1.052 -0.937 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.070 1.933 -0.229 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.556 2.102 -1.904 1.00 0.00 H new ATOM 0 HG SER A 79 13.366 -0.258 -0.324 1.00 0.00 H new ATOM 1167 N GLY A 80 15.331 4.247 -0.368 1.00 0.00 N ATOM 1168 CA GLY A 80 15.723 5.578 -0.795 1.00 0.00 C ATOM 1169 C GLY A 80 14.551 6.537 -0.852 1.00 0.00 C ATOM 1170 O GLY A 80 13.708 6.551 0.044 1.00 0.00 O ATOM 0 H GLY A 80 14.792 4.216 0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.475 5.969 -0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.188 5.518 -1.779 1.00 0.00 H new ATOM 1174 N SER A 81 14.499 7.343 -1.908 1.00 0.00 N ATOM 1175 CA SER A 81 13.425 8.314 -2.076 1.00 0.00 C ATOM 1176 C SER A 81 12.258 7.706 -2.848 1.00 0.00 C ATOM 1177 O SER A 81 11.094 7.978 -2.552 1.00 0.00 O ATOM 1178 CB SER A 81 13.941 9.556 -2.805 1.00 0.00 C ATOM 1179 OG SER A 81 13.151 10.692 -2.499 1.00 0.00 O ATOM 0 H SER A 81 15.188 7.342 -2.660 1.00 0.00 H new ATOM 0 HA SER A 81 13.072 8.603 -1.086 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.977 9.743 -2.523 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.930 9.381 -3.881 1.00 0.00 H new ATOM 0 HG SER A 81 13.502 11.473 -2.976 1.00 0.00 H new ATOM 1185 N ARG A 82 12.579 6.880 -3.839 1.00 0.00 N ATOM 1186 CA ARG A 82 11.558 6.233 -4.655 1.00 0.00 C ATOM 1187 C ARG A 82 11.503 4.735 -4.369 1.00 0.00 C ATOM 1188 O ARG A 82 12.515 4.118 -4.036 1.00 0.00 O ATOM 1189 CB ARG A 82 11.837 6.470 -6.140 1.00 0.00 C ATOM 1190 CG ARG A 82 12.044 7.933 -6.495 1.00 0.00 C ATOM 1191 CD ARG A 82 12.697 8.089 -7.860 1.00 0.00 C ATOM 1192 NE ARG A 82 12.472 9.416 -8.426 1.00 0.00 N ATOM 1193 CZ ARG A 82 13.004 9.825 -9.572 1.00 0.00 C ATOM 1194 NH1 ARG A 82 13.786 9.015 -10.271 1.00 0.00 N ATOM 1195 NH2 ARG A 82 12.753 11.048 -10.022 1.00 0.00 N ATOM 0 H ARG A 82 13.537 6.643 -4.096 1.00 0.00 H new ATOM 0 HA ARG A 82 10.593 6.670 -4.400 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.724 5.906 -6.429 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.005 6.077 -6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.084 8.449 -6.489 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.666 8.408 -5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.768 7.909 -7.772 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.302 7.334 -8.539 1.00 0.00 H new ATOM 0 HE ARG A 82 11.874 10.064 -7.913 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.981 8.074 -9.929 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.193 9.333 -11.151 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.151 11.675 -9.488 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.162 11.361 -10.902 1.00 0.00 H new ATOM 1209 N VAL A 83 10.314 4.156 -4.501 1.00 0.00 N ATOM 1210 CA VAL A 83 10.126 2.731 -4.258 1.00 0.00 C ATOM 1211 C VAL A 83 9.196 2.114 -5.298 1.00 0.00 C ATOM 1212 O VAL A 83 8.543 2.825 -6.060 1.00 0.00 O ATOM 1213 CB VAL A 83 9.551 2.472 -2.853 1.00 0.00 C ATOM 1214 CG1 VAL A 83 10.582 2.802 -1.785 1.00 0.00 C ATOM 1215 CG2 VAL A 83 8.277 3.276 -2.643 1.00 0.00 C ATOM 0 H VAL A 83 9.466 4.652 -4.775 1.00 0.00 H new ATOM 0 HA VAL A 83 11.109 2.265 -4.332 1.00 0.00 H new ATOM 0 HB VAL A 83 9.303 1.414 -2.770 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.158 2.613 -0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.465 2.178 -1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.864 3.852 -1.863 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.884 3.081 -1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.496 4.339 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.536 2.985 -3.388 1.00 0.00 H new ATOM 1225 N MET A 84 9.143 0.786 -5.321 1.00 0.00 N ATOM 1226 CA MET A 84 8.291 0.073 -6.266 1.00 0.00 C ATOM 1227 C MET A 84 7.427 -0.959 -5.548 1.00 0.00 C ATOM 1228 O MET A 84 7.899 -2.039 -5.193 1.00 0.00 O ATOM 1229 CB MET A 84 9.143 -0.614 -7.336 1.00 0.00 C ATOM 1230 CG MET A 84 8.365 -1.599 -8.192 1.00 0.00 C ATOM 1231 SD MET A 84 9.438 -2.719 -9.111 1.00 0.00 S ATOM 1232 CE MET A 84 10.387 -1.554 -10.087 1.00 0.00 C ATOM 0 H MET A 84 9.679 0.183 -4.697 1.00 0.00 H new ATOM 0 HA MET A 84 7.635 0.800 -6.745 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.584 0.146 -7.981 1.00 0.00 H new ATOM 0 HB3 MET A 84 9.967 -1.138 -6.852 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.699 -2.181 -7.555 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.736 -1.049 -8.892 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.968 -2.094 -10.835 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.710 -0.860 -10.585 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.061 -0.998 -9.436 1.00 0.00 H new ATOM 1242 N PHE A 85 6.160 -0.619 -5.337 1.00 0.00 N ATOM 1243 CA PHE A 85 5.231 -1.516 -4.660 1.00 0.00 C ATOM 1244 C PHE A 85 4.432 -2.335 -5.669 1.00 0.00 C ATOM 1245 O PHE A 85 3.891 -1.794 -6.636 1.00 0.00 O ATOM 1246 CB PHE A 85 4.279 -0.718 -3.766 1.00 0.00 C ATOM 1247 CG PHE A 85 4.971 -0.002 -2.642 1.00 0.00 C ATOM 1248 CD1 PHE A 85 5.496 -0.708 -1.572 1.00 0.00 C ATOM 1249 CD2 PHE A 85 5.097 1.378 -2.655 1.00 0.00 C ATOM 1250 CE1 PHE A 85 6.134 -0.052 -0.536 1.00 0.00 C ATOM 1251 CE2 PHE A 85 5.734 2.039 -1.622 1.00 0.00 C ATOM 1252 CZ PHE A 85 6.252 1.323 -0.561 1.00 0.00 C ATOM 0 H PHE A 85 5.753 0.271 -5.625 1.00 0.00 H new ATOM 0 HA PHE A 85 5.812 -2.201 -4.042 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.745 0.011 -4.376 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.532 -1.394 -3.350 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.406 -1.784 -1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.693 1.943 -3.482 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.540 -0.615 0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.827 3.115 -1.645 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.749 1.838 0.248 1.00 0.00 H new ATOM 1262 N LEU A 86 4.362 -3.641 -5.439 1.00 0.00 N ATOM 1263 CA LEU A 86 3.630 -4.536 -6.328 1.00 0.00 C ATOM 1264 C LEU A 86 2.525 -5.269 -5.574 1.00 0.00 C ATOM 1265 O LEU A 86 2.794 -6.164 -4.772 1.00 0.00 O ATOM 1266 CB LEU A 86 4.584 -5.547 -6.966 1.00 0.00 C ATOM 1267 CG LEU A 86 3.939 -6.613 -7.853 1.00 0.00 C ATOM 1268 CD1 LEU A 86 3.658 -6.054 -9.239 1.00 0.00 C ATOM 1269 CD2 LEU A 86 4.831 -7.843 -7.943 1.00 0.00 C ATOM 0 H LEU A 86 4.803 -4.104 -4.644 1.00 0.00 H new ATOM 0 HA LEU A 86 3.172 -3.933 -7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.315 -5.000 -7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.134 -6.049 -6.170 1.00 0.00 H new ATOM 0 HG LEU A 86 2.991 -6.908 -7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.199 -6.826 -9.857 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.981 -5.204 -9.158 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.593 -5.731 -9.697 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.356 -8.591 -8.578 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.794 -7.563 -8.370 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.982 -8.257 -6.946 1.00 0.00 H new ATOM 1281 N LEU A 87 1.281 -4.885 -5.838 1.00 0.00 N ATOM 1282 CA LEU A 87 0.133 -5.507 -5.186 1.00 0.00 C ATOM 1283 C LEU A 87 -0.908 -5.940 -6.213 1.00 0.00 C ATOM 1284 O LEU A 87 -0.839 -5.559 -7.381 1.00 0.00 O ATOM 1285 CB LEU A 87 -0.495 -4.539 -4.182 1.00 0.00 C ATOM 1286 CG LEU A 87 0.459 -3.537 -3.530 1.00 0.00 C ATOM 1287 CD1 LEU A 87 0.543 -2.264 -4.357 1.00 0.00 C ATOM 1288 CD2 LEU A 87 0.012 -3.223 -2.109 1.00 0.00 C ATOM 0 H LEU A 87 1.041 -4.146 -6.499 1.00 0.00 H new ATOM 0 HA LEU A 87 0.483 -6.393 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.284 -3.983 -4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.972 -5.122 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 87 1.452 -3.984 -3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.226 -1.563 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.909 -2.502 -5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.446 -1.813 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.702 -2.509 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.991 -2.796 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.004 -4.140 -1.519 1.00 0.00 H new ATOM 1300 N VAL A 88 -1.876 -6.735 -5.768 1.00 0.00 N ATOM 1301 CA VAL A 88 -2.935 -7.217 -6.647 1.00 0.00 C ATOM 1302 C VAL A 88 -4.259 -6.527 -6.341 1.00 0.00 C ATOM 1303 O VAL A 88 -4.543 -6.187 -5.192 1.00 0.00 O ATOM 1304 CB VAL A 88 -3.120 -8.741 -6.519 1.00 0.00 C ATOM 1305 CG1 VAL A 88 -3.969 -9.273 -7.664 1.00 0.00 C ATOM 1306 CG2 VAL A 88 -1.770 -9.440 -6.476 1.00 0.00 C ATOM 0 H VAL A 88 -1.949 -7.059 -4.804 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.633 -6.980 -7.667 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.641 -8.949 -5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.089 -10.351 -7.557 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.948 -8.795 -7.643 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.478 -9.055 -8.613 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.920 -10.516 -6.385 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.220 -9.226 -7.393 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.201 -9.080 -5.619 1.00 0.00 H new ATOM 1316 N ASP A 89 -5.067 -6.324 -7.375 1.00 0.00 N ATOM 1317 CA ASP A 89 -6.364 -5.676 -7.217 1.00 0.00 C ATOM 1318 C ASP A 89 -7.293 -6.523 -6.353 1.00 0.00 C ATOM 1319 O ASP A 89 -7.176 -7.748 -6.312 1.00 0.00 O ATOM 1320 CB ASP A 89 -7.004 -5.428 -8.584 1.00 0.00 C ATOM 1321 CG ASP A 89 -8.518 -5.458 -8.529 1.00 0.00 C ATOM 1322 OD1 ASP A 89 -9.095 -4.753 -7.675 1.00 0.00 O ATOM 1323 OD2 ASP A 89 -9.127 -6.189 -9.339 1.00 0.00 O ATOM 0 H ASP A 89 -4.847 -6.599 -8.332 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.206 -4.719 -6.719 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.676 -4.461 -8.965 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.654 -6.183 -9.288 1.00 0.00 H new ATOM 1328 N LYS A 90 -8.216 -5.862 -5.663 1.00 0.00 N ATOM 1329 CA LYS A 90 -9.166 -6.553 -4.799 1.00 0.00 C ATOM 1330 C LYS A 90 -10.107 -7.432 -5.618 1.00 0.00 C ATOM 1331 O LYS A 90 -10.238 -8.627 -5.356 1.00 0.00 O ATOM 1332 CB LYS A 90 -9.976 -5.541 -3.985 1.00 0.00 C ATOM 1333 CG LYS A 90 -10.863 -4.647 -4.835 1.00 0.00 C ATOM 1334 CD LYS A 90 -11.430 -3.494 -4.025 1.00 0.00 C ATOM 1335 CE LYS A 90 -11.877 -2.350 -4.922 1.00 0.00 C ATOM 1336 NZ LYS A 90 -12.736 -1.376 -4.193 1.00 0.00 N ATOM 0 H LYS A 90 -8.327 -4.848 -5.685 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.602 -7.190 -4.118 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.597 -6.078 -3.268 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.291 -4.918 -3.410 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.289 -4.255 -5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.680 -5.235 -5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.275 -3.845 -3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.676 -3.135 -3.324 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.001 -1.836 -5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.425 -2.750 -5.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.020 -0.612 -4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.584 -1.860 -3.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.205 -0.975 -3.394 1.00 0.00 H new ATOM 1350 N GLU A 91 -10.757 -6.831 -6.610 1.00 0.00 N ATOM 1351 CA GLU A 91 -11.684 -7.560 -7.466 1.00 0.00 C ATOM 1352 C GLU A 91 -11.059 -8.862 -7.961 1.00 0.00 C ATOM 1353 O GLU A 91 -11.764 -9.806 -8.319 1.00 0.00 O ATOM 1354 CB GLU A 91 -12.100 -6.696 -8.658 1.00 0.00 C ATOM 1355 CG GLU A 91 -13.328 -5.842 -8.392 1.00 0.00 C ATOM 1356 CD GLU A 91 -14.047 -5.440 -9.665 1.00 0.00 C ATOM 1357 OE1 GLU A 91 -13.382 -5.352 -10.719 1.00 0.00 O ATOM 1358 OE2 GLU A 91 -15.274 -5.214 -9.608 1.00 0.00 O ATOM 0 H GLU A 91 -10.658 -5.842 -6.840 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.568 -7.803 -6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.269 -6.047 -8.933 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.296 -7.342 -9.514 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.016 -6.392 -7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.031 -4.945 -7.848 1.00 0.00 H new